smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC001169652917 1081619607 /nfs/dbraw/zinc/61/96/07/1081619607.db2.gz SLYIHYCFTHDCHX-KBPBESRZSA-N 0 3 306.406 3.054 20 10 DGCDHN CCOC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC001169652921 1081619976 /nfs/dbraw/zinc/61/99/76/1081619976.db2.gz SLYIHYCFTHDCHX-UONOGXRCSA-N 0 3 306.406 3.054 20 10 DGCDHN CN1CCN(c2ccc(CNc3ccc(C4CC4)cn3)cc2)CC1 ZINC001167434522 1082114068 /nfs/dbraw/zinc/11/40/68/1082114068.db2.gz NWEADKBAGQBAHZ-UHFFFAOYSA-N 0 3 322.456 3.323 20 10 DGCDHN CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001181234104 1083437740 /nfs/dbraw/zinc/43/77/40/1083437740.db2.gz HBRBWKADHWFOGN-SFHVURJKSA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001181234104 1083437743 /nfs/dbraw/zinc/43/77/43/1083437743.db2.gz HBRBWKADHWFOGN-SFHVURJKSA-N 0 3 305.418 3.112 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001182978840 1083857383 /nfs/dbraw/zinc/85/73/83/1083857383.db2.gz OXYOTYFAIIOXLX-MRXNPFEDSA-N 0 3 313.397 3.363 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001182978840 1083857391 /nfs/dbraw/zinc/85/73/91/1083857391.db2.gz OXYOTYFAIIOXLX-MRXNPFEDSA-N 0 3 313.397 3.363 20 10 DGCDHN COc1ccc(N2CCN(CC3(C(C)C)CC3)CC2)c(OC)c1 ZINC001183418901 1083944655 /nfs/dbraw/zinc/94/46/55/1083944655.db2.gz DVAIWOXNCMQCNT-UHFFFAOYSA-N 0 3 318.461 3.262 20 10 DGCDHN Cc1ccc(C[NH2+]CCc2ccnn2-c2ccccc2)c([O-])c1 ZINC001183875848 1084048406 /nfs/dbraw/zinc/04/84/06/1084048406.db2.gz IFLMDDMLTTVIMW-UHFFFAOYSA-N 0 3 307.397 3.219 20 10 DGCDHN C[C@@]1([NH3+])CCCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205288337 1084088765 /nfs/dbraw/zinc/08/87/65/1084088765.db2.gz IVQRLNLSUQENJE-CQSZACIVSA-N 0 3 303.233 3.402 20 10 DGCDHN [NH3+]Cc1cccc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168526189 1089967006 /nfs/dbraw/zinc/96/70/06/1089967006.db2.gz SEWSQVQCMURYLT-UHFFFAOYSA-N 0 3 314.776 3.060 20 10 DGCDHN COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccccc3[O-])CCO2)cc1 ZINC001168583805 1090584259 /nfs/dbraw/zinc/58/42/59/1090584259.db2.gz KJIWOWLKIBBPOF-LPHOPBHVSA-N 0 3 313.397 3.411 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203551569 1090754631 /nfs/dbraw/zinc/75/46/31/1090754631.db2.gz JCROBMBEPDYJKF-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203551569 1090754633 /nfs/dbraw/zinc/75/46/33/1090754633.db2.gz JCROBMBEPDYJKF-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccccc1[O-] ZINC001203558713 1090755789 /nfs/dbraw/zinc/75/57/89/1090755789.db2.gz XNCKIOHUVODQFB-HNNXBMFYSA-N 0 3 315.413 3.438 20 10 DGCDHN COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccccc1[O-] ZINC001203558713 1090755793 /nfs/dbraw/zinc/75/57/93/1090755793.db2.gz XNCKIOHUVODQFB-HNNXBMFYSA-N 0 3 315.413 3.438 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001203561655 1090756539 /nfs/dbraw/zinc/75/65/39/1090756539.db2.gz XRLRTYHJLLEOQB-IEBWSBKVSA-N 0 3 308.425 3.099 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001203561655 1090756542 /nfs/dbraw/zinc/75/65/42/1090756542.db2.gz XRLRTYHJLLEOQB-IEBWSBKVSA-N 0 3 308.425 3.099 20 10 DGCDHN O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203561167 1090756949 /nfs/dbraw/zinc/75/69/49/1090756949.db2.gz MNHMCZPRHGOMIL-INIZCTEOSA-N 0 3 323.396 3.014 20 10 DGCDHN O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203561167 1090756952 /nfs/dbraw/zinc/75/69/52/1090756952.db2.gz MNHMCZPRHGOMIL-INIZCTEOSA-N 0 3 323.396 3.014 20 10 DGCDHN COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC001203563105 1090757794 /nfs/dbraw/zinc/75/77/94/1090757794.db2.gz VOXMSFBKQKCPDC-WMZOPIPTSA-N 0 3 311.381 3.128 20 10 DGCDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC001203563105 1090757798 /nfs/dbraw/zinc/75/77/98/1090757798.db2.gz VOXMSFBKQKCPDC-WMZOPIPTSA-N 0 3 311.381 3.128 20 10 DGCDHN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203621357 1090768163 /nfs/dbraw/zinc/76/81/63/1090768163.db2.gz BMGGBGOYKUHYLK-QAPCUYQASA-N 0 3 305.418 3.039 20 10 DGCDHN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203621357 1090768168 /nfs/dbraw/zinc/76/81/68/1090768168.db2.gz BMGGBGOYKUHYLK-QAPCUYQASA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c([O-])c1 ZINC001203621024 1090768420 /nfs/dbraw/zinc/76/84/20/1090768420.db2.gz NZUIZMOJPVLLCK-CYBMUJFWSA-N 0 3 307.287 3.125 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c([O-])c1 ZINC001203621024 1090768425 /nfs/dbraw/zinc/76/84/25/1090768425.db2.gz NZUIZMOJPVLLCK-CYBMUJFWSA-N 0 3 307.287 3.125 20 10 DGCDHN CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(OC)cc1[O-] ZINC001203634507 1090770111 /nfs/dbraw/zinc/77/01/11/1090770111.db2.gz JRGGMKBUFVCBLD-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(OC)cc1[O-] ZINC001203634507 1090770116 /nfs/dbraw/zinc/77/01/16/1090770116.db2.gz JRGGMKBUFVCBLD-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COc1ccc(O)c(CN2CC[C@H]2COCc2ccccc2)c1 ZINC001203677948 1090779055 /nfs/dbraw/zinc/77/90/55/1090779055.db2.gz BRUHUGIMHFTYCA-KRWDZBQOSA-N 0 3 313.397 3.192 20 10 DGCDHN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 ZINC001203934007 1090842701 /nfs/dbraw/zinc/84/27/01/1090842701.db2.gz JHGUXWSMYOIUFX-SFTDATJTSA-N 0 3 321.468 3.211 20 10 DGCDHN CCc1noc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203937831 1090843650 /nfs/dbraw/zinc/84/36/50/1090843650.db2.gz UORWNSUMTHCMCV-UHFFFAOYSA-N 0 3 314.433 3.078 20 10 DGCDHN Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204274664 1090938269 /nfs/dbraw/zinc/93/82/69/1090938269.db2.gz FGPVNSFYTNHMTD-QGZVFWFLSA-N 0 3 313.397 3.450 20 10 DGCDHN Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204274664 1090938270 /nfs/dbraw/zinc/93/82/70/1090938270.db2.gz FGPVNSFYTNHMTD-QGZVFWFLSA-N 0 3 313.397 3.450 20 10 DGCDHN CCCN1CCN(Cc2ccc(N(CC)CC)cc2OC)CC1 ZINC001138388941 1091162839 /nfs/dbraw/zinc/16/28/39/1091162839.db2.gz BSDITQUYRLVXMW-UHFFFAOYSA-N 0 3 319.493 3.069 20 10 DGCDHN CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c(OC)c1 ZINC001138390198 1091162958 /nfs/dbraw/zinc/16/29/58/1091162958.db2.gz YUDFLSMOCWOJGA-BHYGNILZSA-N 0 3 306.425 3.474 20 10 DGCDHN CCN(CC)c1ccc(CN2CCN(C(C)C)CC2)c(OC)c1 ZINC001138387731 1091162980 /nfs/dbraw/zinc/16/29/80/1091162980.db2.gz JNSHMSUEWNGUTP-UHFFFAOYSA-N 0 3 319.493 3.067 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@@]3(CCO3)C2)c(OC)c1 ZINC001138390459 1091165079 /nfs/dbraw/zinc/16/50/79/1091165079.db2.gz XSHCPOLLSCZZOR-LJQANCHMSA-N 0 3 318.461 3.296 20 10 DGCDHN C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001206811504 1091751328 /nfs/dbraw/zinc/75/13/28/1091751328.db2.gz VQZOMMZBCGPADD-UWVGGRQHSA-N 0 3 303.233 3.258 20 10 DGCDHN CC(C)c1noc([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140059179 1091751796 /nfs/dbraw/zinc/75/17/96/1091751796.db2.gz XJBLDKNFVZBVDI-LBPRGKRZSA-N 0 3 319.380 3.417 20 10 DGCDHN CC(C)c1noc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140059179 1091751804 /nfs/dbraw/zinc/75/18/04/1091751804.db2.gz XJBLDKNFVZBVDI-LBPRGKRZSA-N 0 3 319.380 3.417 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140342707 1091835507 /nfs/dbraw/zinc/83/55/07/1091835507.db2.gz VIBHUTHAQZOPQN-LSDHHAIUSA-N 0 3 312.816 3.054 20 10 DGCDHN Cc1c(O)ccc(CN2CC[C@H]2COCc2ccccc2)c1O ZINC001140745553 1091982890 /nfs/dbraw/zinc/98/28/90/1091982890.db2.gz KMBZTKCOFFPNJQ-KRWDZBQOSA-N 0 3 313.397 3.197 20 10 DGCDHN Cc1ccc(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140948285 1092075581 /nfs/dbraw/zinc/07/55/81/1092075581.db2.gz BMZHBIBYEROMMR-CQSZACIVSA-N 0 3 307.390 3.227 20 10 DGCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140952389 1092078009 /nfs/dbraw/zinc/07/80/09/1092078009.db2.gz PXGJBJUISWOYLX-APWZRJJASA-N 0 3 319.445 3.108 20 10 DGCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140952389 1092078015 /nfs/dbraw/zinc/07/80/15/1092078015.db2.gz PXGJBJUISWOYLX-APWZRJJASA-N 0 3 319.445 3.108 20 10 DGCDHN Cc1ccc(CN2CCN(Cc3ccc(C)cc3O)CC2)cc1 ZINC001140950350 1092078077 /nfs/dbraw/zinc/07/80/77/1092078077.db2.gz ZBXLNOORFGXQPL-UHFFFAOYSA-N 0 3 310.441 3.327 20 10 DGCDHN COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(C)cc1[O-] ZINC001140950200 1092078148 /nfs/dbraw/zinc/07/81/48/1092078148.db2.gz VGLQZERDZCMZMC-UHFFFAOYSA-N 0 3 313.397 3.266 20 10 DGCDHN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(C)cc1[O-] ZINC001140950200 1092078155 /nfs/dbraw/zinc/07/81/55/1092078155.db2.gz VGLQZERDZCMZMC-UHFFFAOYSA-N 0 3 313.397 3.266 20 10 DGCDHN COC(=O)c1cccc2c1CCN(Cc1ccc(C)cc1O)C2 ZINC001140954728 1092079007 /nfs/dbraw/zinc/07/90/07/1092079007.db2.gz XHOQIKYDPQBYRN-UHFFFAOYSA-N 0 3 311.381 3.046 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@@H]2c2ccncc2)c(OC)c1 ZINC001141028679 1092110839 /nfs/dbraw/zinc/11/08/39/1092110839.db2.gz ZOGZNIZJQIMTRZ-MRXNPFEDSA-N 0 3 314.385 3.142 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCc2ccc(C)cc2)c(OC)c1 ZINC001141028681 1092111040 /nfs/dbraw/zinc/11/10/40/1092111040.db2.gz ZQAPBZLJJDYXSQ-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccc(C)cc2)c(OC)c1 ZINC001141028681 1092111044 /nfs/dbraw/zinc/11/10/44/1092111044.db2.gz ZQAPBZLJJDYXSQ-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1cccc(CN(C)Cc2ccc3c(c2)OCCN3C)c1 ZINC001141143073 1092149123 /nfs/dbraw/zinc/14/91/23/1092149123.db2.gz MEQANACKTPXELE-UHFFFAOYSA-N 0 3 312.413 3.156 20 10 DGCDHN Cc1ccc(OC2CCN(Cc3cc(O)ccc3O)CC2)cc1 ZINC001141158752 1092155703 /nfs/dbraw/zinc/15/57/03/1092155703.db2.gz MGJOESSIJHINJR-UHFFFAOYSA-N 0 3 313.397 3.450 20 10 DGCDHN CCN(CC[N@H+](CC)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC001208578882 1092402743 /nfs/dbraw/zinc/40/27/43/1092402743.db2.gz MIYSIKUNRBNRQE-UHFFFAOYSA-N 0 3 322.449 3.471 20 10 DGCDHN CCN(CC[N@@H+](CC)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC001208578882 1092402745 /nfs/dbraw/zinc/40/27/45/1092402745.db2.gz MIYSIKUNRBNRQE-UHFFFAOYSA-N 0 3 322.449 3.471 20 10 DGCDHN C[C@H](CN(C)Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC001208893127 1092571074 /nfs/dbraw/zinc/57/10/74/1092571074.db2.gz FVMXAKRTWAWANP-CYBMUJFWSA-N 0 3 316.367 3.153 20 10 DGCDHN CCC(=O)C(C)(C)CN1CCN(c2ccc(OC)cc2C)CC1 ZINC001208923590 1092587091 /nfs/dbraw/zinc/58/70/91/1092587091.db2.gz SSRIUOGCFWETMZ-UHFFFAOYSA-N 0 3 318.461 3.131 20 10 DGCDHN CCN(Cc1scc2c1OCCO2)Cc1ccccc1O ZINC001143191039 1092630629 /nfs/dbraw/zinc/63/06/29/1092630629.db2.gz UHKQSTHCXXVRPO-UHFFFAOYSA-N 0 3 305.399 3.247 20 10 DGCDHN O=C1C=CC(=NNc2ccccc2)C(OC[C@H]2CNCCO2)=C1 ZINC001218178995 1094644056 /nfs/dbraw/zinc/64/40/56/1094644056.db2.gz IYVFKSWGLSPHQV-FZFLATATSA-N 0 3 313.357 3.175 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313354081 1095006841 /nfs/dbraw/zinc/00/68/41/1095006841.db2.gz PXHZVYXYXPIMEU-INIZCTEOSA-N 0 3 302.805 3.192 20 10 DGCDHN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000697820967 1095050725 /nfs/dbraw/zinc/05/07/25/1095050725.db2.gz AIWLRTJRLQUKGS-TZMCWYRMSA-N 0 3 320.433 3.130 20 10 DGCDHN CC[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC001116674227 1095631294 /nfs/dbraw/zinc/63/12/94/1095631294.db2.gz WDYFKAUSHVDCAP-GDBMZVCRSA-N 0 3 304.434 3.082 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172684401 1097208367 /nfs/dbraw/zinc/20/83/67/1097208367.db2.gz YFJFKSPNRVRAAN-SFHVURJKSA-N 0 3 324.424 3.015 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172684401 1097208369 /nfs/dbraw/zinc/20/83/69/1097208369.db2.gz YFJFKSPNRVRAAN-SFHVURJKSA-N 0 3 324.424 3.015 20 10 DGCDHN C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001277409454 1097364163 /nfs/dbraw/zinc/36/41/63/1097364163.db2.gz RAYKMFLHDNJMOH-OCCSQVGLSA-N 0 3 322.880 3.479 20 10 DGCDHN C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001277409454 1097364166 /nfs/dbraw/zinc/36/41/66/1097364166.db2.gz RAYKMFLHDNJMOH-OCCSQVGLSA-N 0 3 322.880 3.479 20 10 DGCDHN COc1cccc(CN(C)Cc2cccc(C)c2O)c1OC ZINC001231594207 1097788569 /nfs/dbraw/zinc/78/85/69/1097788569.db2.gz XUGIYNRQJRENBP-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN CCC[N@H+](Cc1c(C)cc(C)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001231846219 1097861519 /nfs/dbraw/zinc/86/15/19/1097861519.db2.gz DJGSMTUQWFMKTO-UHFFFAOYSA-N 0 3 318.461 3.232 20 10 DGCDHN CCC[N@@H+](Cc1c(C)cc(C)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001231846219 1097861527 /nfs/dbraw/zinc/86/15/27/1097861527.db2.gz DJGSMTUQWFMKTO-UHFFFAOYSA-N 0 3 318.461 3.232 20 10 DGCDHN Cc1cc(C)c(CN2CCN(C)c3nc(C)ccc3C2)c(O)c1 ZINC001231844492 1097861856 /nfs/dbraw/zinc/86/18/56/1097861856.db2.gz KERYADDOLMYNIY-UHFFFAOYSA-N 0 3 311.429 3.164 20 10 DGCDHN COc1cc(N(C)C)ccc1CN1CCC2(CCOCC2)CC1 ZINC001231855062 1097864707 /nfs/dbraw/zinc/86/47/07/1097864707.db2.gz PYRXZHNHOUFKEQ-UHFFFAOYSA-N 0 3 318.461 3.154 20 10 DGCDHN Clc1cc(CN2CCC3(CC3)C2)ccc1N1CCOCC1 ZINC001232194865 1097962336 /nfs/dbraw/zinc/96/23/36/1097962336.db2.gz OAEPBSQXDJNRPB-UHFFFAOYSA-N 0 3 306.837 3.163 20 10 DGCDHN CC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)Cc1ccccc1[O-] ZINC001232705092 1098117442 /nfs/dbraw/zinc/11/74/42/1098117442.db2.gz FYJIVEMGBAYAKI-UHFFFAOYSA-N 0 3 317.360 3.340 20 10 DGCDHN CC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)Cc1ccccc1[O-] ZINC001232705092 1098117444 /nfs/dbraw/zinc/11/74/44/1098117444.db2.gz FYJIVEMGBAYAKI-UHFFFAOYSA-N 0 3 317.360 3.340 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2n[nH]c3cc(F)ccc32)cc1 ZINC001233128205 1098232404 /nfs/dbraw/zinc/23/24/04/1098232404.db2.gz IWTFMBPDKKJYPH-UHFFFAOYSA-N 0 3 312.392 3.400 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)CCc2cccnc2)c1[O-] ZINC001233290034 1098277403 /nfs/dbraw/zinc/27/74/03/1098277403.db2.gz DOXGKRJFBMNNFJ-UHFFFAOYSA-N 0 3 306.793 3.124 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCc2cccnc2)c1[O-] ZINC001233290034 1098277407 /nfs/dbraw/zinc/27/74/07/1098277407.db2.gz DOXGKRJFBMNNFJ-UHFFFAOYSA-N 0 3 306.793 3.124 20 10 DGCDHN COc1cc(Cl)cc(CN2C[C@H]3[C@H](CC3(F)F)C2)c1O ZINC001233287671 1098278157 /nfs/dbraw/zinc/27/81/57/1098278157.db2.gz BXPHGCNHIWNNEM-KOLCDFICSA-N 0 3 303.736 3.141 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1[O-] ZINC001233287671 1098278161 /nfs/dbraw/zinc/27/81/61/1098278161.db2.gz BXPHGCNHIWNNEM-KOLCDFICSA-N 0 3 303.736 3.141 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1[O-] ZINC001233287671 1098278167 /nfs/dbraw/zinc/27/81/67/1098278167.db2.gz BXPHGCNHIWNNEM-KOLCDFICSA-N 0 3 303.736 3.141 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c1[O-] ZINC001233290301 1098278260 /nfs/dbraw/zinc/27/82/60/1098278260.db2.gz VKIUESHJRDEAKJ-CQSZACIVSA-N 0 3 313.825 3.444 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(C)(C)OC)c1[O-] ZINC001233290301 1098278265 /nfs/dbraw/zinc/27/82/65/1098278265.db2.gz VKIUESHJRDEAKJ-CQSZACIVSA-N 0 3 313.825 3.444 20 10 DGCDHN CCN(Cc1ccc(Cl)cc1)Cc1cc(O)c(O)cc1O ZINC001233486524 1098346724 /nfs/dbraw/zinc/34/67/24/1098346724.db2.gz PTDROEPPYQVSGC-UHFFFAOYSA-N 0 3 307.777 3.479 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C)[C@@H]3CO)c2c1 ZINC001234525472 1098581114 /nfs/dbraw/zinc/58/11/14/1098581114.db2.gz ICYFKIHJWDPPNS-ACJLOTCBSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](C)[C@@H]3CO)c2c1 ZINC001234525472 1098581121 /nfs/dbraw/zinc/58/11/21/1098581121.db2.gz ICYFKIHJWDPPNS-ACJLOTCBSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@]4(CCO4)C3)c2c1 ZINC001234561910 1098599697 /nfs/dbraw/zinc/59/96/97/1098599697.db2.gz FYSMZVDZASCBPO-IBGZPJMESA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@]4(CCO4)C3)c2c1 ZINC001234561910 1098599704 /nfs/dbraw/zinc/59/97/04/1098599704.db2.gz FYSMZVDZASCBPO-IBGZPJMESA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3CC([C@@H](C)OC)C3)c2c1 ZINC001234569281 1098603669 /nfs/dbraw/zinc/60/36/69/1098603669.db2.gz KNLRRPNDBYISLL-GFCCVEGCSA-N 0 3 301.386 3.021 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H](C)Cc3ccco3)cc2)CC1 ZINC001234662035 1098636325 /nfs/dbraw/zinc/63/63/25/1098636325.db2.gz YLENXPKIKSVJGQ-MRXNPFEDSA-N 0 3 314.429 3.432 20 10 DGCDHN [O-]c1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1F ZINC001177911240 1098645492 /nfs/dbraw/zinc/64/54/92/1098645492.db2.gz HPPJAIXPDMBKND-UHFFFAOYSA-N 0 3 300.377 3.421 20 10 DGCDHN Cn1cc(C[N@H+](C)Cc2cccc(-c3ccccc3)c2[O-])cn1 ZINC001234992255 1098736885 /nfs/dbraw/zinc/73/68/85/1098736885.db2.gz OEOTVLLGQYQNNF-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN Cn1cc(C[N@@H+](C)Cc2cccc(-c3ccccc3)c2[O-])cn1 ZINC001234992255 1098736897 /nfs/dbraw/zinc/73/68/97/1098736897.db2.gz OEOTVLLGQYQNNF-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN CCOC(=O)CC[N@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996523 1098738498 /nfs/dbraw/zinc/73/84/98/1098738498.db2.gz IJBGIYYQSXGCCO-UHFFFAOYSA-N 0 3 313.397 3.444 20 10 DGCDHN CCOC(=O)CC[N@@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996523 1098738508 /nfs/dbraw/zinc/73/85/08/1098738508.db2.gz IJBGIYYQSXGCCO-UHFFFAOYSA-N 0 3 313.397 3.444 20 10 DGCDHN [O-]c1c(C[N@H+]2CCc3nccn3CC2)cccc1-c1ccccc1 ZINC001234999327 1098742744 /nfs/dbraw/zinc/74/27/44/1098742744.db2.gz SKHHZZHUFQUXPW-UHFFFAOYSA-N 0 3 319.408 3.314 20 10 DGCDHN [O-]c1c(C[N@@H+]2CCc3nccn3CC2)cccc1-c1ccccc1 ZINC001234999327 1098742755 /nfs/dbraw/zinc/74/27/55/1098742755.db2.gz SKHHZZHUFQUXPW-UHFFFAOYSA-N 0 3 319.408 3.314 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@@]3(CC[NH2+]3)C2)cc1Cl ZINC001235068521 1098782922 /nfs/dbraw/zinc/78/29/22/1098782922.db2.gz ICHAAFDKFQGEAC-KRWDZBQOSA-N 0 3 308.853 3.281 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CCC[C@@H]3[NH2+]C[C@H]32)cc1Cl ZINC001235308243 1098953297 /nfs/dbraw/zinc/95/32/97/1098953297.db2.gz WHXGUJZJZWLUQO-LSDHHAIUSA-N 0 3 308.853 3.279 20 10 DGCDHN CCCN1CCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179030038 1099005028 /nfs/dbraw/zinc/00/50/28/1099005028.db2.gz XLUDTDZSMQQWFC-QGZVFWFLSA-N 0 3 312.413 3.036 20 10 DGCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)OCCO3)c([O-])c1 ZINC001235681148 1099124397 /nfs/dbraw/zinc/12/43/97/1099124397.db2.gz FZEBXZGVGOZPJK-UHFFFAOYSA-N 0 3 305.418 3.029 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235741352 1099158268 /nfs/dbraw/zinc/15/82/68/1099158268.db2.gz FHMKTXTZWVOOLD-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235787944 1099179135 /nfs/dbraw/zinc/17/91/35/1099179135.db2.gz HIRWICWXWMTZGQ-MRXNPFEDSA-N 0 3 302.805 3.192 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235787944 1099179137 /nfs/dbraw/zinc/17/91/37/1099179137.db2.gz HIRWICWXWMTZGQ-MRXNPFEDSA-N 0 3 302.805 3.192 20 10 DGCDHN COc1ccc(CN(C(C)C)[C@@H]2CCC[NH2+]C2)c([O-])c1Cl ZINC001236471263 1099631664 /nfs/dbraw/zinc/63/16/64/1099631664.db2.gz ZJMVHTDSVWBEAF-CYBMUJFWSA-N 0 3 312.841 3.017 20 10 DGCDHN COc1ccc(C[N@H+](C(C)C)[C@@H]2CCCNC2)c([O-])c1Cl ZINC001236471263 1099631668 /nfs/dbraw/zinc/63/16/68/1099631668.db2.gz ZJMVHTDSVWBEAF-CYBMUJFWSA-N 0 3 312.841 3.017 20 10 DGCDHN COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCCNC2)c([O-])c1Cl ZINC001236471263 1099631672 /nfs/dbraw/zinc/63/16/72/1099631672.db2.gz ZJMVHTDSVWBEAF-CYBMUJFWSA-N 0 3 312.841 3.017 20 10 DGCDHN CCc1ccc(C[NH+]2CCC(Oc3ccncc3)CC2)c([O-])c1 ZINC001236783077 1099780233 /nfs/dbraw/zinc/78/02/33/1099780233.db2.gz HVHAGJFSTXFXKY-UHFFFAOYSA-N 0 3 312.413 3.393 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c([O-])c1 ZINC001236787329 1099785352 /nfs/dbraw/zinc/78/53/52/1099785352.db2.gz KZEQFDHHOPGEBN-HXUWFJFHSA-N 0 3 322.408 3.050 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c([O-])c1 ZINC001236787329 1099785360 /nfs/dbraw/zinc/78/53/60/1099785360.db2.gz KZEQFDHHOPGEBN-HXUWFJFHSA-N 0 3 322.408 3.050 20 10 DGCDHN COc1cc(C)c(CN(C)CCC(=O)c2cccs2)c(O)c1 ZINC001236822013 1099809198 /nfs/dbraw/zinc/80/91/98/1099809198.db2.gz XLUZVVQWCRRIRN-UHFFFAOYSA-N 0 3 319.426 3.476 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCN(c2cccnc2)CC1 ZINC001236827469 1099812559 /nfs/dbraw/zinc/81/25/59/1099812559.db2.gz SPIADBGIYGVGNF-UHFFFAOYSA-N 0 3 319.408 3.263 20 10 DGCDHN CCOCC[NH+](CCOCC)Cc1cc2ccccc2cc1[O-] ZINC001236833030 1099817123 /nfs/dbraw/zinc/81/71/23/1099817123.db2.gz NAZGGWWNHUDINV-UHFFFAOYSA-N 0 3 317.429 3.420 20 10 DGCDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830784 1099817141 /nfs/dbraw/zinc/81/71/41/1099817141.db2.gz CONONIWTOBALCI-DYVFJYSZSA-N 0 3 313.397 3.176 20 10 DGCDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830784 1099817150 /nfs/dbraw/zinc/81/71/50/1099817150.db2.gz CONONIWTOBALCI-DYVFJYSZSA-N 0 3 313.397 3.176 20 10 DGCDHN CN1CC[N@H+](Cc2cc3ccccc3cc2[O-])Cc2cccnc21 ZINC001236833729 1099820859 /nfs/dbraw/zinc/82/08/59/1099820859.db2.gz XWLZSZZCOLCBJG-UHFFFAOYSA-N 0 3 319.408 3.392 20 10 DGCDHN CN1CC[N@@H+](Cc2cc3ccccc3cc2[O-])Cc2cccnc21 ZINC001236833729 1099820866 /nfs/dbraw/zinc/82/08/66/1099820866.db2.gz XWLZSZZCOLCBJG-UHFFFAOYSA-N 0 3 319.408 3.392 20 10 DGCDHN O=C1CCCN1C1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236834724 1099820941 /nfs/dbraw/zinc/82/09/41/1099820941.db2.gz BOSIYEFSTHWPFR-UHFFFAOYSA-N 0 3 324.424 3.132 20 10 DGCDHN O=C1CC[C@@]2(CCC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)O1 ZINC001236834689 1099821322 /nfs/dbraw/zinc/82/13/22/1099821322.db2.gz BBQDBYOFAZOUPT-LJQANCHMSA-N 0 3 311.381 3.217 20 10 DGCDHN O=C1CC[C@@]2(CCC[N@H+](Cc3cc4ccccc4cc3[O-])C2)O1 ZINC001236834689 1099821331 /nfs/dbraw/zinc/82/13/31/1099821331.db2.gz BBQDBYOFAZOUPT-LJQANCHMSA-N 0 3 311.381 3.217 20 10 DGCDHN O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236834528 1099821649 /nfs/dbraw/zinc/82/16/49/1099821649.db2.gz ZWHCIECAFAFORJ-UHFFFAOYSA-N 0 3 320.392 3.247 20 10 DGCDHN O=c1ccc2c([nH]1)CC[N@H+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236834528 1099821658 /nfs/dbraw/zinc/82/16/58/1099821658.db2.gz ZWHCIECAFAFORJ-UHFFFAOYSA-N 0 3 320.392 3.247 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237050574 1099945474 /nfs/dbraw/zinc/94/54/74/1099945474.db2.gz CLFBULSEIHDSFX-AWEZNQCLSA-N 0 3 305.418 3.291 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237050574 1099945488 /nfs/dbraw/zinc/94/54/88/1099945488.db2.gz CLFBULSEIHDSFX-AWEZNQCLSA-N 0 3 305.418 3.291 20 10 DGCDHN Oc1cccc(OC(F)(F)F)c1CN1CCC2(CCO2)CC1 ZINC001237123966 1099982022 /nfs/dbraw/zinc/98/20/22/1099982022.db2.gz VYVNCWMYFMNHBT-UHFFFAOYSA-N 0 3 317.307 3.046 20 10 DGCDHN C[C@]1(O)CCCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237120245 1099982581 /nfs/dbraw/zinc/98/25/81/1099982581.db2.gz OSEFMINLJFQJGC-AWEZNQCLSA-N 0 3 319.323 3.028 20 10 DGCDHN C[C@]1(O)CCCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237120245 1099982590 /nfs/dbraw/zinc/98/25/90/1099982590.db2.gz OSEFMINLJFQJGC-AWEZNQCLSA-N 0 3 319.323 3.028 20 10 DGCDHN COC1(C)CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237121236 1099982816 /nfs/dbraw/zinc/98/28/16/1099982816.db2.gz WVAOYEHIMPEKIX-UHFFFAOYSA-N 0 3 319.323 3.292 20 10 DGCDHN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]12 ZINC001237143803 1099991960 /nfs/dbraw/zinc/99/19/60/1099991960.db2.gz OLOLQTGYJDPRRJ-MFKMUULPSA-N 0 3 313.319 3.212 20 10 DGCDHN O=C1CCC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]12 ZINC001237143803 1099991970 /nfs/dbraw/zinc/99/19/70/1099991970.db2.gz OLOLQTGYJDPRRJ-MFKMUULPSA-N 0 3 313.319 3.212 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001237482572 1100139809 /nfs/dbraw/zinc/13/98/09/1100139809.db2.gz MJDBFXIDAWLWBN-UHFFFAOYSA-N 0 3 311.425 3.270 20 10 DGCDHN C[C@@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237642083 1100199654 /nfs/dbraw/zinc/19/96/54/1100199654.db2.gz YXOIDDZMKXNVBA-LJQANCHMSA-N 0 3 315.388 3.403 20 10 DGCDHN C[C@@]1(CO)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237642083 1100199658 /nfs/dbraw/zinc/19/96/58/1100199658.db2.gz YXOIDDZMKXNVBA-LJQANCHMSA-N 0 3 315.388 3.403 20 10 DGCDHN COc1cc(CN2CCC[C@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237676445 1100212239 /nfs/dbraw/zinc/21/22/39/1100212239.db2.gz OHYNEZBVYKWFAT-NSHDSACASA-N 0 3 319.323 3.184 20 10 DGCDHN COCC[N@H+](Cc1cc(Br)c(C)cc1[O-])C(C)C ZINC001237677798 1100212460 /nfs/dbraw/zinc/21/24/60/1100212460.db2.gz DSFNULJIECHOOG-UHFFFAOYSA-N 0 3 316.239 3.320 20 10 DGCDHN COCC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C(C)C ZINC001237677798 1100212464 /nfs/dbraw/zinc/21/24/64/1100212464.db2.gz DSFNULJIECHOOG-UHFFFAOYSA-N 0 3 316.239 3.320 20 10 DGCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCC(=O)O3)CC2)c1[O-] ZINC001237686812 1100215185 /nfs/dbraw/zinc/21/51/85/1100215185.db2.gz POJRUZPWWCSRAF-UHFFFAOYSA-N 0 3 309.793 3.026 20 10 DGCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1[O-] ZINC001238061441 1100345429 /nfs/dbraw/zinc/34/54/29/1100345429.db2.gz MUGDFJQIBUYPFG-ZWKOTPCHSA-N 0 3 315.388 3.018 20 10 DGCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1[O-] ZINC001238061441 1100345434 /nfs/dbraw/zinc/34/54/34/1100345434.db2.gz MUGDFJQIBUYPFG-ZWKOTPCHSA-N 0 3 315.388 3.018 20 10 DGCDHN Cc1cc(F)cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC001238058380 1100347130 /nfs/dbraw/zinc/34/71/30/1100347130.db2.gz RFKRBMHIBSKNDP-CQSZACIVSA-N 0 3 321.314 3.119 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(F)cc1F ZINC001197004412 1101454774 /nfs/dbraw/zinc/45/47/74/1101454774.db2.gz QVWBZTPJYPNPIB-WDEREUQCSA-N 0 3 320.339 3.348 20 10 DGCDHN Cc1cccn2c(CNCc3ccc(N(C)C)c(F)c3)cnc12 ZINC001199866333 1102237298 /nfs/dbraw/zinc/23/72/98/1102237298.db2.gz YWDAMYFCZNMQFI-UHFFFAOYSA-N 0 3 312.392 3.138 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000686281610 1103041178 /nfs/dbraw/zinc/04/11/78/1103041178.db2.gz VYSFQCFYPWEOKN-OLZOCXBDSA-N 0 3 320.433 3.298 20 10 DGCDHN O=C(Nc1cccc(CN2CCCC2)c1)C1=CC(=O)CS1 ZINC001328492313 1103967686 /nfs/dbraw/zinc/96/76/86/1103967686.db2.gz RPQCDFZHRZISJT-UHFFFAOYSA-N 0 3 302.399 3.302 20 10 DGCDHN Cc1ncc(Br)cc1CN(C)Cc1ccccc1O ZINC001248781702 1105161236 /nfs/dbraw/zinc/16/12/36/1105161236.db2.gz WGJYYJJKNCKUFO-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN CCN(Cc1cnn2ccc(Cl)nc12)Cc1ccccc1O ZINC001248881423 1105185757 /nfs/dbraw/zinc/18/57/57/1105185757.db2.gz YLHAVUHBKGKXKD-UHFFFAOYSA-N 0 3 316.792 3.110 20 10 DGCDHN CCCC1CC[NH+](Cc2ccc(CC(=O)OC)cc2[O-])CC1 ZINC001249201237 1105245943 /nfs/dbraw/zinc/24/59/43/1105245943.db2.gz LQESKZBLDAIYQE-UHFFFAOYSA-N 0 3 305.418 3.120 20 10 DGCDHN C[C@@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)[C@@H]1CO ZINC001249223612 1105249568 /nfs/dbraw/zinc/24/95/68/1105249568.db2.gz JRGGNYVHBDPGNV-CZUORRHYSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)[C@@H]1CO ZINC001249223612 1105249569 /nfs/dbraw/zinc/24/95/69/1105249569.db2.gz JRGGNYVHBDPGNV-CZUORRHYSA-N 0 3 317.429 3.169 20 10 DGCDHN C[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C1CCOCC1 ZINC001249224187 1105249619 /nfs/dbraw/zinc/24/96/19/1105249619.db2.gz UGAIQIXXTZEDTO-UHFFFAOYSA-N 0 3 303.402 3.187 20 10 DGCDHN C[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C1CCOCC1 ZINC001249224187 1105249620 /nfs/dbraw/zinc/24/96/20/1105249620.db2.gz UGAIQIXXTZEDTO-UHFFFAOYSA-N 0 3 303.402 3.187 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[NH+]2CCCCC2)c([O-])c1 ZINC001249724617 1105366553 /nfs/dbraw/zinc/36/65/53/1105366553.db2.gz ICWWJSTZYXNGPC-UHFFFAOYSA-N 0 3 321.417 3.100 20 10 DGCDHN COc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)c([O-])c1Cl ZINC001206574184 1105440930 /nfs/dbraw/zinc/44/09/30/1105440930.db2.gz QCAKBYWXLWNQOY-INIZCTEOSA-N 0 3 312.841 3.005 20 10 DGCDHN CN(C)c1ccc(CC2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001250434899 1105515078 /nfs/dbraw/zinc/51/50/78/1105515078.db2.gz QFLAWOJJVUNWGG-IBGZPJMESA-N 0 3 300.446 3.106 20 10 DGCDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C2 ZINC001255182335 1106201424 /nfs/dbraw/zinc/20/14/24/1106201424.db2.gz DTTLVPZUQCXXCG-APIJFGDWSA-N 0 3 318.417 3.195 20 10 DGCDHN COC(=O)CC1CCC([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001256978849 1106519943 /nfs/dbraw/zinc/51/99/43/1106519943.db2.gz DTQZZTRVBWNUNX-UHFFFAOYSA-N 0 3 305.418 3.221 20 10 DGCDHN COc1ccc(N2CCN([C@@H]3CCCSC3)CC2)c(C)c1 ZINC001257680629 1106620646 /nfs/dbraw/zinc/62/06/46/1106620646.db2.gz CBJXOFWLGVZDTA-OAHLLOKOSA-N 0 3 306.475 3.021 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1COc2ccc(Cl)cc2C1 ZINC001257967583 1106652820 /nfs/dbraw/zinc/65/28/20/1106652820.db2.gz CGMYRUYBFWUMOJ-OAHLLOKOSA-N 0 3 303.789 3.481 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1COc2ccc(Cl)cc2C1 ZINC001257967583 1106652822 /nfs/dbraw/zinc/65/28/22/1106652822.db2.gz CGMYRUYBFWUMOJ-OAHLLOKOSA-N 0 3 303.789 3.481 20 10 DGCDHN C[C@@H]([NH2+]CCc1ccc(N(C)C)cc1)c1cc(F)ccc1[O-] ZINC001320119235 1106885746 /nfs/dbraw/zinc/88/57/46/1106885746.db2.gz YICDRMXSQGATFV-CYBMUJFWSA-N 0 3 302.393 3.491 20 10 DGCDHN COc1ccc(C[C@H](C)[N@H+](C)Cc2cccc(OC)c2[O-])cc1 ZINC001320493881 1107025286 /nfs/dbraw/zinc/02/52/86/1107025286.db2.gz FFYJMKOJTFKTCS-AWEZNQCLSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccc(C[C@H](C)[N@@H+](C)Cc2cccc(OC)c2[O-])cc1 ZINC001320493881 1107025299 /nfs/dbraw/zinc/02/52/99/1107025299.db2.gz FFYJMKOJTFKTCS-AWEZNQCLSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c([O-])c1OC ZINC001262357185 1107687243 /nfs/dbraw/zinc/68/72/43/1107687243.db2.gz BSCHMLKRCRXYGM-CHWSQXEVSA-N 0 3 311.447 3.125 20 10 DGCDHN COc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c([O-])c1OC ZINC001262357185 1107687246 /nfs/dbraw/zinc/68/72/46/1107687246.db2.gz BSCHMLKRCRXYGM-CHWSQXEVSA-N 0 3 311.447 3.125 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001319838154 1108659006 /nfs/dbraw/zinc/65/90/06/1108659006.db2.gz ZJLYIYUAZBNIHX-UHFFFAOYSA-N 0 3 305.418 3.230 20 10 DGCDHN CCCOc1ccc(CN[C@@H](CO)CC(F)(F)F)cc1C ZINC001333321835 1110120626 /nfs/dbraw/zinc/12/06/26/1110120626.db2.gz ONKUKZQHEQIHDP-CYBMUJFWSA-N 0 3 305.340 3.187 20 10 DGCDHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])Nc1cccc2ccccc21 ZINC001308921648 1111494425 /nfs/dbraw/zinc/49/44/25/1111494425.db2.gz FOLGDDIKCZFTRR-UHFFFAOYSA-N 0 3 324.355 3.413 20 10 DGCDHN CN(C)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccsc1 ZINC000295912032 282250185 /nfs/dbraw/zinc/25/01/85/282250185.db2.gz JFZFPAGGKSMWDZ-LSDHHAIUSA-N 0 3 302.443 3.334 20 10 DGCDHN COc1ccc([C@@H]2CC[N@H+](Cc3cccc(OC)c3[O-])C2)cc1 ZINC000092783463 185340916 /nfs/dbraw/zinc/34/09/16/185340916.db2.gz LTBOUXSJMKWPPG-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3cccc(OC)c3[O-])C2)cc1 ZINC000092783463 185340917 /nfs/dbraw/zinc/34/09/17/185340917.db2.gz LTBOUXSJMKWPPG-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000103854867 432013109 /nfs/dbraw/zinc/01/31/09/432013109.db2.gz SMJAYUHPBKNGAA-UHFFFAOYSA-N 0 3 310.441 3.455 20 10 DGCDHN CCOc1cccc(CNCc2ccccc2COC)c1O ZINC000236951671 202089230 /nfs/dbraw/zinc/08/92/30/202089230.db2.gz KGBZVNMGMCGSFE-UHFFFAOYSA-N 0 3 301.386 3.227 20 10 DGCDHN CCOc1cccc(C[NH2+]Cc2ccccc2COC)c1[O-] ZINC000236951671 202089232 /nfs/dbraw/zinc/08/92/32/202089232.db2.gz KGBZVNMGMCGSFE-UHFFFAOYSA-N 0 3 301.386 3.227 20 10 DGCDHN CC[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000166606526 432061733 /nfs/dbraw/zinc/06/17/33/432061733.db2.gz DCUIXZLUPVLNKX-HSALFYBXSA-N 0 3 310.441 3.452 20 10 DGCDHN CCCOc1ccc(CN2CCC([NH2+]C(C)C)CC2)c([O-])c1 ZINC000179836353 432071900 /nfs/dbraw/zinc/07/19/00/432071900.db2.gz YKPVTHASBIETQM-UHFFFAOYSA-N 0 3 306.450 3.143 20 10 DGCDHN CC[C@@H]([NH2+]CCCN(C)C)c1cc(Br)ccc1[O-] ZINC000019958817 182169998 /nfs/dbraw/zinc/16/99/98/182169998.db2.gz HTFAQLZYKWYVDT-CYBMUJFWSA-N 0 3 315.255 3.147 20 10 DGCDHN C[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(N(C)C)cc1 ZINC000268853133 432145133 /nfs/dbraw/zinc/14/51/33/432145133.db2.gz CEVDCHZHGTXHHF-HNNXBMFYSA-N 0 3 321.428 3.184 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCN(c3ccccc3F)C1)CC2 ZINC000297388445 285396737 /nfs/dbraw/zinc/39/67/37/285396737.db2.gz RPBTXZFQGYAODD-HOCLYGCPSA-N 0 3 312.388 3.387 20 10 DGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1OCCc2ccccc21 ZINC000272230410 130011093 /nfs/dbraw/zinc/01/10/93/130011093.db2.gz DPWQEAOTXNQYKR-GOSISDBHSA-N 0 3 301.361 3.277 20 10 DGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1OCCc2ccccc21 ZINC000272230410 130011094 /nfs/dbraw/zinc/01/10/94/130011094.db2.gz DPWQEAOTXNQYKR-GOSISDBHSA-N 0 3 301.361 3.277 20 10 DGCDHN COCC[C@@H](NCc1cccc(OC)c1O)c1ccc(C)o1 ZINC000272378693 130023703 /nfs/dbraw/zinc/02/37/03/130023703.db2.gz YEDAXPQTNLVPHE-CQSZACIVSA-N 0 3 305.374 3.170 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000272462641 130033100 /nfs/dbraw/zinc/03/31/00/130033100.db2.gz QVCFHYSKTQOKRM-LBPRGKRZSA-N 0 3 317.364 3.171 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000272462641 130033102 /nfs/dbraw/zinc/03/31/02/130033102.db2.gz QVCFHYSKTQOKRM-LBPRGKRZSA-N 0 3 317.364 3.171 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c([O-])c1 ZINC000273405882 130117188 /nfs/dbraw/zinc/11/71/88/130117188.db2.gz OJUCXYQBZZGBHK-AWEZNQCLSA-N 0 3 312.413 3.253 20 10 DGCDHN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])cc1 ZINC000273415883 130118425 /nfs/dbraw/zinc/11/84/25/130118425.db2.gz QXEPICARAHCEKL-KSSFIOAISA-N 0 3 315.413 3.402 20 10 DGCDHN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000273418005 130118443 /nfs/dbraw/zinc/11/84/43/130118443.db2.gz RHUIQCZAPVKHAQ-OAHLLOKOSA-N 0 3 312.413 3.090 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)c([O-])c1C ZINC000273427575 130120909 /nfs/dbraw/zinc/12/09/09/130120909.db2.gz URQHDYILTRSKPZ-HNNXBMFYSA-N 0 3 304.434 3.062 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000273481197 130126456 /nfs/dbraw/zinc/12/64/56/130126456.db2.gz MBKJQBDLDFIWMX-QAPCUYQASA-N 0 3 324.424 3.152 20 10 DGCDHN COCCCN1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273563836 130136564 /nfs/dbraw/zinc/13/65/64/130136564.db2.gz IVZDIBCKGLEEAM-INIZCTEOSA-N 0 3 320.477 3.161 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000273608574 130142908 /nfs/dbraw/zinc/14/29/08/130142908.db2.gz UYZVWMJTJVMGPJ-GFCCVEGCSA-N 0 3 316.357 3.202 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000273607979 130143122 /nfs/dbraw/zinc/14/31/22/130143122.db2.gz UWYFWZQTJJMDPG-ZDUSSCGKSA-N 0 3 304.434 3.068 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])[C@@]12CCCO2 ZINC000274146207 130210877 /nfs/dbraw/zinc/21/08/77/130210877.db2.gz DSXYHJBVZXATLG-RNJTYBCJSA-N 0 3 305.418 3.078 20 10 DGCDHN CCC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000279635311 130755166 /nfs/dbraw/zinc/75/51/66/130755166.db2.gz IPONGNXJFLOLFD-HKUYNNGSSA-N 0 3 315.413 3.393 20 10 DGCDHN CNC(=O)c1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284242694 131063124 /nfs/dbraw/zinc/06/31/24/131063124.db2.gz VEODBZRULFBINQ-CQSZACIVSA-N 0 3 312.413 3.219 20 10 DGCDHN CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1[O-] ZINC000286342029 131231185 /nfs/dbraw/zinc/23/11/85/131231185.db2.gz YIYFAZODUJSCAP-QGZVFWFLSA-N 0 3 306.425 3.446 20 10 DGCDHN COc1cccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c1[O-] ZINC000289431293 131385208 /nfs/dbraw/zinc/38/52/08/131385208.db2.gz KSQBAICHYWFMKX-ZDUSSCGKSA-N 0 3 308.381 3.139 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1[O-] ZINC000289998100 131442108 /nfs/dbraw/zinc/44/21/08/131442108.db2.gz CTPCGJNNOVKRAO-BDJLRTHQSA-N 0 3 321.804 3.266 20 10 DGCDHN CNC(=O)CCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093717638 400253282 /nfs/dbraw/zinc/25/32/82/400253282.db2.gz WRVOELUHEPJDIK-UHFFFAOYSA-N 0 3 312.413 3.017 20 10 DGCDHN CNC(=O)CCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093717638 400253286 /nfs/dbraw/zinc/25/32/86/400253286.db2.gz WRVOELUHEPJDIK-UHFFFAOYSA-N 0 3 312.413 3.017 20 10 DGCDHN CCC[N@H+](Cc1cnc(N(C)C)s1)Cc1ccccc1[O-] ZINC000092705012 400196673 /nfs/dbraw/zinc/19/66/73/400196673.db2.gz LVWNYEWXBBGXOH-UHFFFAOYSA-N 0 3 305.447 3.327 20 10 DGCDHN CCC[N@@H+](Cc1cnc(N(C)C)s1)Cc1ccccc1[O-] ZINC000092705012 400196679 /nfs/dbraw/zinc/19/66/79/400196679.db2.gz LVWNYEWXBBGXOH-UHFFFAOYSA-N 0 3 305.447 3.327 20 10 DGCDHN COC[C@@H](CCO)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000269011032 432150889 /nfs/dbraw/zinc/15/08/89/432150889.db2.gz MSUJEINPFGLYLH-FUHWJXTLSA-N 0 3 320.477 3.115 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccccc2N(C)C)c1 ZINC000182449373 432190332 /nfs/dbraw/zinc/19/03/32/432190332.db2.gz MLWYNKCWYGTYMB-ZDUSSCGKSA-N 0 3 300.402 3.318 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2N(C)C)c1 ZINC000182449373 432190335 /nfs/dbraw/zinc/19/03/35/432190335.db2.gz MLWYNKCWYGTYMB-ZDUSSCGKSA-N 0 3 300.402 3.318 20 10 DGCDHN C[C@H](NCc1cccnc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000151447404 432246898 /nfs/dbraw/zinc/24/68/98/432246898.db2.gz XFCZQVMAIJKXLW-HNNXBMFYSA-N 0 3 321.428 3.184 20 10 DGCDHN C[C@](O)(CNCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000270485221 432251863 /nfs/dbraw/zinc/25/18/63/432251863.db2.gz KDCMPCQNPXBOIT-HNNXBMFYSA-N 0 3 316.367 3.080 20 10 DGCDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000184292345 278219287 /nfs/dbraw/zinc/21/92/87/278219287.db2.gz WSQMBPDCSKALRN-WIEQDCTASA-N 0 3 308.491 3.095 20 10 DGCDHN Cc1ccsc1CNCc1ccc(N2CCOCC2)cc1 ZINC000069672855 431209268 /nfs/dbraw/zinc/20/92/68/431209268.db2.gz FGMUMWJPDLUMDO-UHFFFAOYSA-N 0 3 302.443 3.183 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000001461282 431230571 /nfs/dbraw/zinc/23/05/71/431230571.db2.gz QVCOJNSOQPFNPA-OAHLLOKOSA-N 0 3 313.397 3.321 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000001461282 431230578 /nfs/dbraw/zinc/23/05/78/431230578.db2.gz QVCOJNSOQPFNPA-OAHLLOKOSA-N 0 3 313.397 3.321 20 10 DGCDHN CN(C)c1ccc(CNC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000072670514 431341934 /nfs/dbraw/zinc/34/19/34/431341934.db2.gz YFNYGFHKNJXXHC-GOSISDBHSA-N 0 3 313.445 3.272 20 10 DGCDHN Cc1cc(O)c(CN2CCNC(=O)C[C@H]2c2ccccc2)cc1C ZINC000122031489 431810029 /nfs/dbraw/zinc/81/00/29/431810029.db2.gz CIGUSYWBRCSWEZ-SFHVURJKSA-N 0 3 324.424 3.072 20 10 DGCDHN COc1ccc(N2CCCN(Cc3ncccc3C)CC2)cc1 ZINC000093159615 431913617 /nfs/dbraw/zinc/91/36/17/431913617.db2.gz WVFBOZLAZIJILP-UHFFFAOYSA-N 0 3 311.429 3.111 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)CCc2nccs2)c([O-])c1 ZINC000093844015 431919163 /nfs/dbraw/zinc/91/91/63/431919163.db2.gz ZNCOCUICZAOFME-UHFFFAOYSA-N 0 3 306.431 3.312 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)CCc2nccs2)c([O-])c1 ZINC000093844015 431919165 /nfs/dbraw/zinc/91/91/65/431919165.db2.gz ZNCOCUICZAOFME-UHFFFAOYSA-N 0 3 306.431 3.312 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccccc1[O-] ZINC000183371561 432287105 /nfs/dbraw/zinc/28/71/05/432287105.db2.gz PBGGBFNWVPBAJG-CXAGYDPISA-N 0 3 302.393 3.485 20 10 DGCDHN COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183459418 432295507 /nfs/dbraw/zinc/29/55/07/432295507.db2.gz FJDMMSXFNYTMEX-CYBMUJFWSA-N 0 3 301.386 3.303 20 10 DGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000061361029 432001647 /nfs/dbraw/zinc/00/16/47/432001647.db2.gz JMSDQKPMJMCBPM-AWEZNQCLSA-N 0 3 302.443 3.436 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000270606068 432263367 /nfs/dbraw/zinc/26/33/67/432263367.db2.gz BRSAUIUNORJHCH-WMLDXEAASA-N 0 3 307.434 3.474 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192037499 432326637 /nfs/dbraw/zinc/32/66/37/432326637.db2.gz MXPHMPYPEZHEAS-KSSFIOAISA-N 0 3 301.361 3.399 20 10 DGCDHN COc1cc(CN(C)Cc2cccc(OC)c2O)cc(OC)c1 ZINC000271083360 432328141 /nfs/dbraw/zinc/32/81/41/432328141.db2.gz XPWNLJHVHFLVQD-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN COc1cc([O-])c(C[NH2+]C(C)(C)c2ccccc2)cc1OC ZINC000271116601 432332599 /nfs/dbraw/zinc/33/25/99/432332599.db2.gz WGCIAHWPJXCCAJ-UHFFFAOYSA-N 0 3 301.386 3.434 20 10 DGCDHN CCC1(O)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271194155 432350812 /nfs/dbraw/zinc/35/08/12/432350812.db2.gz MVBKQEQGKXWYOB-UHFFFAOYSA-N 0 3 302.462 3.414 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271440196 432395072 /nfs/dbraw/zinc/39/50/72/432395072.db2.gz RRJKIRJDOURHAF-HIFRSBDPSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271440196 432395075 /nfs/dbraw/zinc/39/50/75/432395075.db2.gz RRJKIRJDOURHAF-HIFRSBDPSA-N 0 3 320.433 3.127 20 10 DGCDHN COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184948799 432447158 /nfs/dbraw/zinc/44/71/58/432447158.db2.gz KQTVFQDLGZFMBV-FZKQIMNGSA-N 0 3 301.386 3.093 20 10 DGCDHN CC[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000271585201 432419658 /nfs/dbraw/zinc/41/96/58/432419658.db2.gz XLBRLIFFENRVPS-KBPBESRZSA-N 0 3 304.356 3.107 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000271794035 432424246 /nfs/dbraw/zinc/42/42/46/432424246.db2.gz HLUOXRMNHCCOHL-GWCFXTLKSA-N 0 3 314.223 3.120 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccn(C)c2)c1[O-] ZINC000271844039 432426546 /nfs/dbraw/zinc/42/65/46/432426546.db2.gz ROMYSVVFVKSVMO-UHFFFAOYSA-N 0 3 309.207 3.091 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193505579 432477459 /nfs/dbraw/zinc/47/74/59/432477459.db2.gz ABMCZOKPAXVSJV-QWHCGFSZSA-N 0 3 316.367 3.235 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000185351707 432494366 /nfs/dbraw/zinc/49/43/66/432494366.db2.gz KWUXTIZIGNFHSQ-OLZOCXBDSA-N 0 3 301.386 3.388 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)c1 ZINC000185501412 432507090 /nfs/dbraw/zinc/50/70/90/432507090.db2.gz ZITCUFHQNZPQAT-QWRGUYRKSA-N 0 3 304.390 3.287 20 10 DGCDHN COCCOCCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000154011532 432465448 /nfs/dbraw/zinc/46/54/48/432465448.db2.gz WSDCERBCWFBMGI-KRWDZBQOSA-N 0 3 320.477 3.381 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1 ZINC000185111628 432467242 /nfs/dbraw/zinc/46/72/42/432467242.db2.gz WYXBPQCHMJNTDD-KRWDZBQOSA-N 0 3 305.805 3.351 20 10 DGCDHN CCc1noc(CC)c1CN[C@@H](C)c1cc(OC)ccc1O ZINC000185678515 432523869 /nfs/dbraw/zinc/52/38/69/432523869.db2.gz XIAVOULXFLWUTD-NSHDSACASA-N 0 3 304.390 3.364 20 10 DGCDHN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185826642 432536877 /nfs/dbraw/zinc/53/68/77/432536877.db2.gz VNABEYRIMMENOO-KDOFPFPSSA-N 0 3 315.413 3.484 20 10 DGCDHN CC(=O)Nc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000155197672 432543272 /nfs/dbraw/zinc/54/32/72/432543272.db2.gz OGQJJWRZHTYOSN-UHFFFAOYSA-N 0 3 311.429 3.343 20 10 DGCDHN CCCN1CCC([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000177281020 432607487 /nfs/dbraw/zinc/60/74/87/432607487.db2.gz KWBIHRZSUUSLGQ-UHFFFAOYSA-N 0 3 322.424 3.040 20 10 DGCDHN CCCN1CCC([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000177281020 432607489 /nfs/dbraw/zinc/60/74/89/432607489.db2.gz KWBIHRZSUUSLGQ-UHFFFAOYSA-N 0 3 322.424 3.040 20 10 DGCDHN CCC[NH+]1CCC(N(C)Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000177281020 432607493 /nfs/dbraw/zinc/60/74/93/432607493.db2.gz KWBIHRZSUUSLGQ-UHFFFAOYSA-N 0 3 322.424 3.040 20 10 DGCDHN CCCOc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)c([O-])c1 ZINC000263685455 432566782 /nfs/dbraw/zinc/56/67/82/432566782.db2.gz NOCMJRMYHPNNTD-UHFFFAOYSA-N 0 3 318.461 3.288 20 10 DGCDHN C[C@H](CCN(C)C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000273466071 432603131 /nfs/dbraw/zinc/60/31/31/432603131.db2.gz DSVSUGPATZEJIS-GHMZBOCLSA-N 0 3 315.255 3.146 20 10 DGCDHN CCC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187197573 432651688 /nfs/dbraw/zinc/65/16/88/432651688.db2.gz JBVKTNRTXPPONZ-PWSUYJOCSA-N 0 3 316.239 3.275 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000219453035 432664167 /nfs/dbraw/zinc/66/41/67/432664167.db2.gz VGUDSNVLLNDVRW-HIFRSBDPSA-N 0 3 320.433 3.270 20 10 DGCDHN Cc1ccc2c(c1)nc(CNCc1cc(C)c(C)cc1O)n2C ZINC000187577788 432671497 /nfs/dbraw/zinc/67/14/97/432671497.db2.gz DRSBVAQYUISCGJ-UHFFFAOYSA-N 0 3 309.413 3.494 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000159637718 432690609 /nfs/dbraw/zinc/69/06/09/432690609.db2.gz GMCMBSBXFXFMAI-UHFFFAOYSA-N 0 3 320.383 3.318 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000159637718 432690612 /nfs/dbraw/zinc/69/06/12/432690612.db2.gz GMCMBSBXFXFMAI-UHFFFAOYSA-N 0 3 320.383 3.318 20 10 DGCDHN Cc1cc(N2CCC([NH2+][C@H](C)c3cc(C)ccc3[O-])CC2)n[nH]1 ZINC000275959121 432762533 /nfs/dbraw/zinc/76/25/33/432762533.db2.gz VPHWGBDJPKMKEX-CQSZACIVSA-N 0 3 314.433 3.052 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000276838179 432826806 /nfs/dbraw/zinc/82/68/06/432826806.db2.gz SFJYDHLHZWQIDJ-MRXNPFEDSA-N 0 3 305.418 3.372 20 10 DGCDHN CO[C@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000276981561 432827873 /nfs/dbraw/zinc/82/78/73/432827873.db2.gz WAJSFKAUMJJHSZ-ZJUUUORDSA-N 0 3 302.212 3.149 20 10 DGCDHN CO[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000276981555 432828306 /nfs/dbraw/zinc/82/83/06/432828306.db2.gz WAJSFKAUMJJHSZ-UWVGGRQHSA-N 0 3 302.212 3.149 20 10 DGCDHN C[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296653914 432923714 /nfs/dbraw/zinc/92/37/14/432923714.db2.gz ZDGRODORQQOAHB-ZIAGYGMSSA-N 0 3 304.434 3.067 20 10 DGCDHN C[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296653914 432923717 /nfs/dbraw/zinc/92/37/17/432923717.db2.gz ZDGRODORQQOAHB-ZIAGYGMSSA-N 0 3 304.434 3.067 20 10 DGCDHN COc1ccc(COCC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296822933 432928994 /nfs/dbraw/zinc/92/89/94/432928994.db2.gz MFRSRMUIIBZOKF-KRWDZBQOSA-N 0 3 313.397 3.195 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)CC2 ZINC000296851394 432931721 /nfs/dbraw/zinc/93/17/21/432931721.db2.gz NFZJJSOQHUWQIS-ZFWWWQNUSA-N 0 3 321.779 3.495 20 10 DGCDHN CCn1nccc1C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000278741957 432899252 /nfs/dbraw/zinc/89/92/52/432899252.db2.gz AHHPZMDDVHJKSH-UHFFFAOYSA-N 0 3 312.461 3.349 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1[O-] ZINC000289998115 432982367 /nfs/dbraw/zinc/98/23/67/432982367.db2.gz CTPCGJNNOVKRAO-ZBEGNZNMSA-N 0 3 321.804 3.266 20 10 DGCDHN COCCOCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000290258426 433022248 /nfs/dbraw/zinc/02/22/48/433022248.db2.gz WKMICQCMVMMRDH-UHFFFAOYSA-N 0 3 315.413 3.154 20 10 DGCDHN COCCOCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000290258426 433022250 /nfs/dbraw/zinc/02/22/50/433022250.db2.gz WKMICQCMVMMRDH-UHFFFAOYSA-N 0 3 315.413 3.154 20 10 DGCDHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297867017 433026340 /nfs/dbraw/zinc/02/63/40/433026340.db2.gz ULOIXQVABVBJRO-FQEHYLHMSA-N 0 3 307.459 3.049 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)C2CCC(F)(F)CC2)cc1OC ZINC000290288520 433026754 /nfs/dbraw/zinc/02/67/54/433026754.db2.gz ZZHJPEMCAJMZMH-UHFFFAOYSA-N 0 3 315.360 3.419 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)C2CCC(F)(F)CC2)cc1OC ZINC000290288520 433026760 /nfs/dbraw/zinc/02/67/60/433026760.db2.gz ZZHJPEMCAJMZMH-UHFFFAOYSA-N 0 3 315.360 3.419 20 10 DGCDHN CC[C@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CCCO1 ZINC000281360838 433289986 /nfs/dbraw/zinc/28/99/86/433289986.db2.gz UWKFZYQBIQNYHC-ZDUSSCGKSA-N 0 3 314.223 3.156 20 10 DGCDHN CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CCCO1 ZINC000281360838 433289991 /nfs/dbraw/zinc/28/99/91/433289991.db2.gz UWKFZYQBIQNYHC-ZDUSSCGKSA-N 0 3 314.223 3.156 20 10 DGCDHN CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CCCO1 ZINC000281360833 433290830 /nfs/dbraw/zinc/29/08/30/433290830.db2.gz UWKFZYQBIQNYHC-CYBMUJFWSA-N 0 3 314.223 3.156 20 10 DGCDHN CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CCCO1 ZINC000281360833 433290837 /nfs/dbraw/zinc/29/08/37/433290837.db2.gz UWKFZYQBIQNYHC-CYBMUJFWSA-N 0 3 314.223 3.156 20 10 DGCDHN C[C@@H](NCc1ccc2c(c1)CCO2)[C@H]1OCCc2sccc21 ZINC000291680327 433310543 /nfs/dbraw/zinc/31/05/43/433310543.db2.gz HPGZDZUANTUJAV-KZULUSFZSA-N 0 3 315.438 3.475 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCC1CCOCC1)C[C@@H]1CCCO1 ZINC000292889875 433602256 /nfs/dbraw/zinc/60/22/56/433602256.db2.gz JCNCCUJFYGQMNE-SFHVURJKSA-N 0 3 319.445 3.190 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCC1CCOCC1)C[C@@H]1CCCO1 ZINC000292889875 433602269 /nfs/dbraw/zinc/60/22/69/433602269.db2.gz JCNCCUJFYGQMNE-SFHVURJKSA-N 0 3 319.445 3.190 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@H](CO)C2CCCCC2)c1[O-] ZINC000293231998 433662585 /nfs/dbraw/zinc/66/25/85/433662585.db2.gz ZHGARORQPMBADR-MRXNPFEDSA-N 0 3 307.434 3.069 20 10 DGCDHN C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])CN(C)C ZINC000293714122 433837991 /nfs/dbraw/zinc/83/79/91/433837991.db2.gz PBZZJOZPAABSEJ-MNOVXSKESA-N 0 3 315.255 3.003 20 10 DGCDHN C[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])CN(C)C ZINC000293759967 433858279 /nfs/dbraw/zinc/85/82/79/433858279.db2.gz RZSGMAYRMHFULJ-GHMZBOCLSA-N 0 3 315.255 3.003 20 10 DGCDHN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])cn1 ZINC000285400630 433939440 /nfs/dbraw/zinc/93/94/40/433939440.db2.gz XDRMGQDRQULCHZ-CYBMUJFWSA-N 0 3 313.401 3.213 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000377834124 434012562 /nfs/dbraw/zinc/01/25/62/434012562.db2.gz JEKZWTZMFQFTOX-JKSUJKDBSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000377834124 434012574 /nfs/dbraw/zinc/01/25/74/434012574.db2.gz JEKZWTZMFQFTOX-JKSUJKDBSA-N 0 3 319.445 3.430 20 10 DGCDHN CN(Cc1cccs1)c1ccc(CN2CCC[C@@H](O)C2)cc1 ZINC000294556253 434121196 /nfs/dbraw/zinc/12/11/96/434121196.db2.gz LQRJQNCMUXPYHS-QGZVFWFLSA-N 0 3 316.470 3.341 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000294604534 434122246 /nfs/dbraw/zinc/12/22/46/434122246.db2.gz DJCIYTIMCGPSBA-ZIAGYGMSSA-N 0 3 304.434 3.059 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c([O-])c1 ZINC000294689530 434127690 /nfs/dbraw/zinc/12/76/90/434127690.db2.gz ILRDJWADBNVZDO-AWEZNQCLSA-N 0 3 312.413 3.001 20 10 DGCDHN COc1cccc(CNCc2ccnc(C(F)(F)F)c2)c1O ZINC000294957325 434153213 /nfs/dbraw/zinc/15/32/13/434153213.db2.gz DMMFJHBNDHVGPC-UHFFFAOYSA-N 0 3 312.291 3.104 20 10 DGCDHN Cc1nccnc1CC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000295007783 434160774 /nfs/dbraw/zinc/16/07/74/434160774.db2.gz MLUBSHYAFPUOJD-CYBMUJFWSA-N 0 3 311.429 3.263 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1 ZINC000363859275 434168428 /nfs/dbraw/zinc/16/84/28/434168428.db2.gz FJTZEVFPAXLDKD-AWEZNQCLSA-N 0 3 308.385 3.132 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c([O-])c1 ZINC000363870181 434171401 /nfs/dbraw/zinc/17/14/01/434171401.db2.gz VZAMCFUWPHTVRF-CQSZACIVSA-N 0 3 308.385 3.132 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c([O-])c1 ZINC000363861506 434167411 /nfs/dbraw/zinc/16/74/11/434167411.db2.gz WUYTXDXSEVWMEU-CQSZACIVSA-N 0 3 308.385 3.132 20 10 DGCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000295135211 434223481 /nfs/dbraw/zinc/22/34/81/434223481.db2.gz PDGYTWSLFGMLRD-QWRGUYRKSA-N 0 3 321.339 3.409 20 10 DGCDHN CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534716 434389197 /nfs/dbraw/zinc/38/91/97/434389197.db2.gz PCOKPDIZORSUQK-RHSMWYFYSA-N 0 3 324.440 3.073 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccnc(N3CCCC3)c1)CC2 ZINC000295809530 434440712 /nfs/dbraw/zinc/44/07/12/434440712.db2.gz CRCUZYHBXWSSBL-MRXNPFEDSA-N 0 3 309.413 3.165 20 10 DGCDHN COc1ccc(O)c(CN[C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000296037403 434485558 /nfs/dbraw/zinc/48/55/58/434485558.db2.gz OSXSOJITDWRPTI-INIZCTEOSA-N 0 3 321.442 3.312 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000296037403 434485570 /nfs/dbraw/zinc/48/55/70/434485570.db2.gz OSXSOJITDWRPTI-INIZCTEOSA-N 0 3 321.442 3.312 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)CC2 ZINC000296138207 434521600 /nfs/dbraw/zinc/52/16/00/434521600.db2.gz WBJDCJHPYUPIAV-SFHVURJKSA-N 0 3 319.408 3.414 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000367684781 434554225 /nfs/dbraw/zinc/55/42/25/434554225.db2.gz LLVGFASPQICZQO-HOTGVXAUSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000367684781 434554235 /nfs/dbraw/zinc/55/42/35/434554235.db2.gz LLVGFASPQICZQO-HOTGVXAUSA-N 0 3 319.445 3.430 20 10 DGCDHN COc1cccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)c1O ZINC000368167130 434567402 /nfs/dbraw/zinc/56/74/02/434567402.db2.gz LHYTYKPXHHYCEP-INIZCTEOSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1[O-] ZINC000368167130 434567409 /nfs/dbraw/zinc/56/74/09/434567409.db2.gz LHYTYKPXHHYCEP-INIZCTEOSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1[O-] ZINC000368167130 434567414 /nfs/dbraw/zinc/56/74/14/434567414.db2.gz LHYTYKPXHHYCEP-INIZCTEOSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc(CNCc2c[nH]nc2-c2cccs2)c1O ZINC000370892999 434620121 /nfs/dbraw/zinc/62/01/21/434620121.db2.gz SJEUTRPLFHUETC-UHFFFAOYSA-N 0 3 315.398 3.142 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1 ZINC000371546736 434729218 /nfs/dbraw/zinc/72/92/18/434729218.db2.gz NZKZLFSYQPNCOK-BFUOFWGJSA-N 0 3 313.397 3.365 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000371869750 434763947 /nfs/dbraw/zinc/76/39/47/434763947.db2.gz KEVJZJSOSWXRIO-KPZWWZAWSA-N 0 3 301.361 3.496 20 10 DGCDHN Cn1ccnc1[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000372880755 434860203 /nfs/dbraw/zinc/86/02/03/434860203.db2.gz LECIEJSRWNUTRU-HNNXBMFYSA-N 0 3 307.397 3.268 20 10 DGCDHN Cn1ccnc1[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000372880755 434860208 /nfs/dbraw/zinc/86/02/08/434860208.db2.gz LECIEJSRWNUTRU-HNNXBMFYSA-N 0 3 307.397 3.268 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1[O-] ZINC000527996735 435018588 /nfs/dbraw/zinc/01/85/88/435018588.db2.gz FRIIQQWAZIBQMU-DOTOQJQBSA-N 0 3 310.397 3.305 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCCC(=O)Nc1cccnc1 ZINC000575175291 435006308 /nfs/dbraw/zinc/00/63/08/435006308.db2.gz PUTSQKHDDVXVKG-UHFFFAOYSA-N 0 3 322.412 3.000 20 10 DGCDHN CN(C)c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000072670513 331669538 /nfs/dbraw/zinc/66/95/38/331669538.db2.gz YFNYGFHKNJXXHC-SFHVURJKSA-N 0 3 313.445 3.272 20 10 DGCDHN CCOc1ccc(CNCc2cccc(OC)c2O)cc1F ZINC000106244029 332258288 /nfs/dbraw/zinc/25/82/88/332258288.db2.gz CDDIFDNDZYHUPV-UHFFFAOYSA-N 0 3 305.349 3.228 20 10 DGCDHN Cc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000185183904 333205207 /nfs/dbraw/zinc/20/52/07/333205207.db2.gz UNQKZDKGQYJESV-GJZGRUSLSA-N 0 3 312.413 3.056 20 10 DGCDHN C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000185704957 333212487 /nfs/dbraw/zinc/21/24/87/333212487.db2.gz JEKUMYOJWRXXTJ-WMLDXEAASA-N 0 3 319.445 3.117 20 10 DGCDHN C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000185704996 333212493 /nfs/dbraw/zinc/21/24/93/333212493.db2.gz JEKUMYOJWRXXTJ-YOEHRIQHSA-N 0 3 319.445 3.117 20 10 DGCDHN CC(C)c1nc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)no1 ZINC000272337376 334033510 /nfs/dbraw/zinc/03/35/10/334033510.db2.gz XTNHPONLEMRDRV-UHFFFAOYSA-N 0 3 319.380 3.417 20 10 DGCDHN CC(=O)NC1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293594511 334199347 /nfs/dbraw/zinc/19/93/47/334199347.db2.gz FSCFFZVKQWUDMT-IUDNXUCKSA-N 0 3 304.434 3.107 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000360039884 337084255 /nfs/dbraw/zinc/08/42/55/337084255.db2.gz ZNXGKPKSHDSFOD-OIISXLGYSA-N 0 3 305.418 3.084 20 10 DGCDHN CCOCc1cc(CNCc2cccnc2C)ccc1OC ZINC000527790009 337764286 /nfs/dbraw/zinc/76/42/86/337764286.db2.gz IKGDYIZMDFTFFB-UHFFFAOYSA-N 0 3 300.402 3.225 20 10 DGCDHN CC[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1[O-] ZINC000527996748 337778862 /nfs/dbraw/zinc/77/88/62/337778862.db2.gz FRIIQQWAZIBQMU-RDJZCZTQSA-N 0 3 310.397 3.305 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(C)cc1[O-] ZINC000368446522 500737852 /nfs/dbraw/zinc/73/78/52/500737852.db2.gz KYZSEFLXRUWGDU-ZVZYQTTQSA-N 0 3 305.418 3.079 20 10 DGCDHN COc1ccc(N2CCC(NCc3nc(C)cs3)CC2)cc1 ZINC000117384640 533998934 /nfs/dbraw/zinc/99/89/34/533998934.db2.gz PPNCTDJUVDHOFB-UHFFFAOYSA-N 0 3 317.458 3.219 20 10 DGCDHN COc1ccc([O-])c(C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000360640042 534199071 /nfs/dbraw/zinc/19/90/71/534199071.db2.gz WKHMLBHWBSJTKS-UHFFFAOYSA-N 0 3 312.413 3.251 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c([O-])c1C ZINC000297390230 534226214 /nfs/dbraw/zinc/22/62/14/534226214.db2.gz RSTQKNYNZOGKHM-WMLDXEAASA-N 0 3 317.404 3.402 20 10 DGCDHN CCCOc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c([O-])c1 ZINC000130014142 520345284 /nfs/dbraw/zinc/34/52/84/520345284.db2.gz WVZNTIPURUZBMJ-AWEZNQCLSA-N 0 3 305.418 3.182 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c([O-])c1 ZINC000130014142 520345291 /nfs/dbraw/zinc/34/52/91/520345291.db2.gz WVZNTIPURUZBMJ-AWEZNQCLSA-N 0 3 305.418 3.182 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000227683647 522689739 /nfs/dbraw/zinc/68/97/39/522689739.db2.gz JNFLENOORQVLII-JSGCOSHPSA-N 0 3 308.422 3.346 20 10 DGCDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1)C(=O)OC(C)(C)C ZINC000180075596 523072145 /nfs/dbraw/zinc/07/21/45/523072145.db2.gz BCJJWMPHXNZIHT-AWEZNQCLSA-N 0 3 320.433 3.081 20 10 DGCDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1)C(=O)OC(C)(C)C ZINC000180075596 523072155 /nfs/dbraw/zinc/07/21/55/523072155.db2.gz BCJJWMPHXNZIHT-AWEZNQCLSA-N 0 3 320.433 3.081 20 10 DGCDHN Cc1cccc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)n1 ZINC000164825248 534765208 /nfs/dbraw/zinc/76/52/08/534765208.db2.gz VRURDKLAPOYJPV-OAHLLOKOSA-N 0 3 312.369 3.161 20 10 DGCDHN COc1ccc(O)c(CN(C)Cc2cccc(N(C)C)c2)c1 ZINC000180639364 524735659 /nfs/dbraw/zinc/73/56/59/524735659.db2.gz KGLWTCKJKFDBNV-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1ccc([O-])c(C[N@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000180639364 524735671 /nfs/dbraw/zinc/73/56/71/524735671.db2.gz KGLWTCKJKFDBNV-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000180639364 524735678 /nfs/dbraw/zinc/73/56/78/524735678.db2.gz KGLWTCKJKFDBNV-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN Cc1ccc([O-])c(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000191675336 525339143 /nfs/dbraw/zinc/33/91/43/525339143.db2.gz TZKHRXFXACTQNP-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000189466637 525346232 /nfs/dbraw/zinc/34/62/32/525346232.db2.gz HJDZIILFICKUQX-UHFFFAOYSA-N 0 3 316.367 3.065 20 10 DGCDHN Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000237717498 525444653 /nfs/dbraw/zinc/44/46/53/525444653.db2.gz LRJCGJFDZSLTNR-UHFFFAOYSA-N 0 3 324.380 3.243 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)c1cccc(F)c1 ZINC000267180337 525445242 /nfs/dbraw/zinc/44/52/42/525445242.db2.gz KANYPYIZICFYJA-KPZWWZAWSA-N 0 3 320.383 3.243 20 10 DGCDHN Cc1cc([C@@](C)(O)C[NH2+]Cc2cc(C)c(C)cc2[O-])c(C)o1 ZINC000266137666 525502019 /nfs/dbraw/zinc/50/20/19/525502019.db2.gz GEMKCHPUFVLXCZ-SFHVURJKSA-N 0 3 303.402 3.216 20 10 DGCDHN CSC[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265698050 525718629 /nfs/dbraw/zinc/71/86/29/525718629.db2.gz PSACTCZCECXRKT-GOSISDBHSA-N 0 3 317.454 3.263 20 10 DGCDHN C[C@@H](O)CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082117 525763289 /nfs/dbraw/zinc/76/32/89/525763289.db2.gz NQFZEFCBSZBIIP-OAHLLOKOSA-N 0 3 315.413 3.174 20 10 DGCDHN C[C@@H](O)CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082117 525763297 /nfs/dbraw/zinc/76/32/97/525763297.db2.gz NQFZEFCBSZBIIP-OAHLLOKOSA-N 0 3 315.413 3.174 20 10 DGCDHN CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265738621 525892956 /nfs/dbraw/zinc/89/29/56/525892956.db2.gz DFSQVMVKXALOTF-FZKQIMNGSA-N 0 3 317.454 3.261 20 10 DGCDHN CC(C)(O)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000274912492 535292990 /nfs/dbraw/zinc/29/29/90/535292990.db2.gz KDUYOYKARZJKAZ-UHFFFAOYSA-N 0 3 315.413 3.222 20 10 DGCDHN CCOc1ccc(O)c(CN[C@H](CCOC)c2ccco2)c1 ZINC000272637027 535752671 /nfs/dbraw/zinc/75/26/71/535752671.db2.gz YSGJLTBVKGMSDK-OAHLLOKOSA-N 0 3 305.374 3.251 20 10 DGCDHN CCN(CC)c1ccc(CN(C)CCn2nc(C)cc2C)cc1 ZINC000731751873 574558333 /nfs/dbraw/zinc/55/83/33/574558333.db2.gz HUGPGSQHWGKSBH-UHFFFAOYSA-N 0 3 314.477 3.478 20 10 DGCDHN CCN(C)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000741753296 574968645 /nfs/dbraw/zinc/96/86/45/574968645.db2.gz SCXHSWFUAYBWRZ-UHFFFAOYSA-N 0 3 323.484 3.461 20 10 DGCDHN CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000742372505 574993357 /nfs/dbraw/zinc/99/33/57/574993357.db2.gz OGPULMPJVGXGAE-IBGZPJMESA-N 0 3 311.429 3.159 20 10 DGCDHN Cc1cc(O)c(CNCc2nc3cc(F)ccc3n2C)cc1C ZINC000742372303 574993377 /nfs/dbraw/zinc/99/33/77/574993377.db2.gz WGIKDFCHUAHBNF-UHFFFAOYSA-N 0 3 313.376 3.325 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([O-])c1 ZINC000742376741 574993868 /nfs/dbraw/zinc/99/38/68/574993868.db2.gz FJLRSSBCZRIORU-OIISXLGYSA-N 0 3 305.418 3.084 20 10 DGCDHN O=[N+]([O-])c1cc(CN[C@H]2CCSC2)ccc1N1CCCCC1 ZINC000742383015 574994827 /nfs/dbraw/zinc/99/48/27/574994827.db2.gz RMCHUAJPGXMEAH-AWEZNQCLSA-N 0 3 321.446 3.180 20 10 DGCDHN c1ccc2c(c1)CCCN2CCNCc1ccc2c(c1)CCO2 ZINC000742718231 575014477 /nfs/dbraw/zinc/01/44/77/575014477.db2.gz MRWDXAFOZYDCNL-UHFFFAOYSA-N 0 3 308.425 3.164 20 10 DGCDHN Cc1cc(CN[C@H](C)Cn2cncn2)c(C)n1-c1cccc(C)c1 ZINC000742724806 575015485 /nfs/dbraw/zinc/01/54/85/575015485.db2.gz BGCKAAXQNGISGQ-OAHLLOKOSA-N 0 3 323.444 3.172 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+](CCc1ccccc1)C1CC1)OCO2 ZINC000746023394 575427579 /nfs/dbraw/zinc/42/75/79/575427579.db2.gz TVMXYQQYZOMNBR-UHFFFAOYSA-N 0 3 311.381 3.328 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1ccccc1)C1CC1)OCO2 ZINC000746023394 575427581 /nfs/dbraw/zinc/42/75/81/575427581.db2.gz TVMXYQQYZOMNBR-UHFFFAOYSA-N 0 3 311.381 3.328 20 10 DGCDHN Cc1cc(C(=O)N(C)CCN(C)C)c(C)n1-c1cccc(C)c1 ZINC000747173641 575503317 /nfs/dbraw/zinc/50/33/17/575503317.db2.gz PQEIPIIHWXJOSM-UHFFFAOYSA-N 0 3 313.445 3.036 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c([O-])c1 ZINC000749114599 575627523 /nfs/dbraw/zinc/62/75/23/575627523.db2.gz FTKZPNAQOYUZHN-KZULUSFZSA-N 0 3 319.376 3.142 20 10 DGCDHN COc1cccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000748247810 576075461 /nfs/dbraw/zinc/07/54/61/576075461.db2.gz YUNWPFKYTMDHHU-MRXNPFEDSA-N 0 3 303.406 3.011 20 10 DGCDHN COc1cccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000748247808 576075605 /nfs/dbraw/zinc/07/56/05/576075605.db2.gz YUNWPFKYTMDHHU-INIZCTEOSA-N 0 3 303.406 3.011 20 10 DGCDHN CCCOc1cccc(CNCc2cccc(OC)c2O)c1 ZINC000728775099 576200369 /nfs/dbraw/zinc/20/03/69/576200369.db2.gz HIFYKKUDECZNGI-UHFFFAOYSA-N 0 3 301.386 3.479 20 10 DGCDHN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cccc2c1CCNC2 ZINC000852841889 620651680 /nfs/dbraw/zinc/65/16/80/620651680.db2.gz LWWMZQRGKGIYQJ-CQSZACIVSA-N 0 3 322.408 3.068 20 10 DGCDHN COc1cc(C)cc(CN(C)Cc2ccc3c(c2)OCO3)c1O ZINC000918069003 620695232 /nfs/dbraw/zinc/69/52/32/620695232.db2.gz HNNBMPZVEJVBJN-UHFFFAOYSA-N 0 3 315.369 3.070 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000806167705 617647382 /nfs/dbraw/zinc/64/73/82/617647382.db2.gz GFLUYATTWWXVJS-JGGQBBKZSA-N 0 3 315.388 3.273 20 10 DGCDHN CN(C)c1ccc([C@@H](CNC(=O)CC2CCCC2)N(C)C)cc1 ZINC000891256964 617760943 /nfs/dbraw/zinc/76/09/43/617760943.db2.gz CIEDJBKQYRQECR-GOSISDBHSA-N 0 3 317.477 3.052 20 10 DGCDHN Cc1cc(CNCc2ccc3c(c2)CCO3)c2c(n1)CCCC2 ZINC000892792004 618311713 /nfs/dbraw/zinc/31/17/13/618311713.db2.gz CXCWNKOSJVWULR-UHFFFAOYSA-N 0 3 308.425 3.494 20 10 DGCDHN CCC[C@@H](NCc1ccc(OC)c(OC)c1O)c1ccccn1 ZINC000892910482 618347955 /nfs/dbraw/zinc/34/79/55/618347955.db2.gz CXBLICSUAPPUPN-CQSZACIVSA-N 0 3 316.401 3.435 20 10 DGCDHN CC[C@H](c1ccc(C)cc1O)N1CCc2sc(CN)nc2C1 ZINC000925751134 618594858 /nfs/dbraw/zinc/59/48/58/618594858.db2.gz KHEQNGLVCKKUAI-CQSZACIVSA-N 0 3 317.458 3.125 20 10 DGCDHN COc1cc(C)cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000894369668 618773043 /nfs/dbraw/zinc/77/30/43/618773043.db2.gz BCOIPTUURMFZLS-LBPRGKRZSA-N 0 3 316.357 3.468 20 10 DGCDHN CCc1cccc(CN2CC[C@@](OC)(C(F)(F)F)C2)c1O ZINC000895572199 618800033 /nfs/dbraw/zinc/80/00/33/618800033.db2.gz BYSYYUIPSOEWPB-AWEZNQCLSA-N 0 3 303.324 3.108 20 10 DGCDHN O=[N+]([O-])c1cc(CN2CC[C@@H](CF)C2)ccc1N1CCCCC1 ZINC000895575320 618800770 /nfs/dbraw/zinc/80/07/70/618800770.db2.gz RNVKDTUWTSQJMI-HNNXBMFYSA-N 0 3 321.396 3.377 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)c1[O-] ZINC000895677182 618815167 /nfs/dbraw/zinc/81/51/67/618815167.db2.gz KCDLFBFOFDTSCQ-ZDUSSCGKSA-N 0 3 311.809 3.246 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC3(CCC3)CO2)c1[O-] ZINC000895790755 618831354 /nfs/dbraw/zinc/83/13/54/618831354.db2.gz KVIQLBJOQDOSJF-CYBMUJFWSA-N 0 3 311.809 3.103 20 10 DGCDHN CN(C)c1cc(F)c(CN2CC[C@@H]([C@@H]3CCCO3)C2)cc1F ZINC000895846414 618841341 /nfs/dbraw/zinc/84/13/41/618841341.db2.gz UBKFKXDIUAGFLR-PXAZEXFGSA-N 0 3 310.388 3.032 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@@H](C)C(=O)N(C)CC)cc1 ZINC000788972625 625310253 /nfs/dbraw/zinc/31/02/53/625310253.db2.gz CJCHICHXHLZOOH-INIZCTEOSA-N 0 3 319.493 3.269 20 10 DGCDHN Cc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000121315182 619052831 /nfs/dbraw/zinc/05/28/31/619052831.db2.gz IVBZBASLRUPPBU-UHFFFAOYSA-N 0 3 314.429 3.365 20 10 DGCDHN COc1cccc(CN[C@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898177019 619223315 /nfs/dbraw/zinc/22/33/15/619223315.db2.gz IZZFREMEDFWDNQ-CYBMUJFWSA-N 0 3 315.417 3.248 20 10 DGCDHN C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000128989464 625363477 /nfs/dbraw/zinc/36/34/77/625363477.db2.gz AZKMHGBGBONELI-HNAYVOBHSA-N 0 3 323.440 3.209 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC000903177888 619730631 /nfs/dbraw/zinc/73/06/31/619730631.db2.gz CBFZSBLVVRDHBP-MISXGVKJSA-N 0 3 303.324 3.461 20 10 DGCDHN C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1cc(F)ccc1[O-] ZINC000903240027 619742748 /nfs/dbraw/zinc/74/27/48/619742748.db2.gz SSOROPMLBYSCFE-LLVKDONJSA-N 0 3 324.396 3.239 20 10 DGCDHN C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1ccc(F)cc1[O-] ZINC000903380775 619768856 /nfs/dbraw/zinc/76/88/56/619768856.db2.gz PHVRYSKDKFLXLE-CXAGYDPISA-N 0 3 317.408 3.270 20 10 DGCDHN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000903450765 619778934 /nfs/dbraw/zinc/77/89/34/619778934.db2.gz MPIGQKMUOLJBMF-ZNMIVQPWSA-N 0 3 305.418 3.391 20 10 DGCDHN Cc1nc([C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000905684888 620018725 /nfs/dbraw/zinc/01/87/25/620018725.db2.gz GHBRASPUYNLVNY-AWEZNQCLSA-N 0 3 309.369 3.226 20 10 DGCDHN Cc1nc([C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000905684888 620018726 /nfs/dbraw/zinc/01/87/26/620018726.db2.gz GHBRASPUYNLVNY-AWEZNQCLSA-N 0 3 309.369 3.226 20 10 DGCDHN CCCC[C@H](CN)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000817963206 620894576 /nfs/dbraw/zinc/89/45/76/620894576.db2.gz SFQIRPQCWJIUTB-ZYHUDNBSSA-N 0 3 315.255 3.323 20 10 DGCDHN CC(=O)Nc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921532863 620903588 /nfs/dbraw/zinc/90/35/88/620903588.db2.gz NUNXHLIFAKAOCY-UHFFFAOYSA-N 0 3 310.397 3.260 20 10 DGCDHN CC(C)(/C=C/Cl)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000922648789 621073469 /nfs/dbraw/zinc/07/34/69/621073469.db2.gz PYGQDTUXPTYBKU-AATRIKPKSA-N 0 3 312.816 3.283 20 10 DGCDHN Cc1cc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])nn1C ZINC000922689285 621081930 /nfs/dbraw/zinc/08/19/30/621081930.db2.gz FCOKAHAHRGVXBE-UHFFFAOYSA-N 0 3 321.424 3.433 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H](c2ccco2)N(C)C)cc1F ZINC000858086602 621151120 /nfs/dbraw/zinc/15/11/20/621151120.db2.gz CHUFQWIEFDRZQI-MRXNPFEDSA-N 0 3 323.387 3.016 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@@H](C2CC2)[C@@H]2CCCCO2)cc1F ZINC000858186094 621162532 /nfs/dbraw/zinc/16/25/32/621162532.db2.gz QJBITCUVFHWASS-ROUUACIJSA-N 0 3 324.415 3.468 20 10 DGCDHN Cc1cc(O)c(CNCc2c(C(F)(F)F)cnn2C)cc1C ZINC000858210611 621165140 /nfs/dbraw/zinc/16/51/40/621165140.db2.gz BTZJSRDJNWMFOQ-UHFFFAOYSA-N 0 3 313.323 3.051 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000858448560 621192351 /nfs/dbraw/zinc/19/23/51/621192351.db2.gz CKKAYOBUKAKWDY-TVQRCGJNSA-N 0 3 317.286 3.182 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000839184896 621345225 /nfs/dbraw/zinc/34/52/25/621345225.db2.gz MGXAUILXSDWXTB-YJBOKZPZSA-N 0 3 315.413 3.218 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@H](CCO)CC2)cc1F ZINC000862397654 621584454 /nfs/dbraw/zinc/58/44/54/621584454.db2.gz VIOJSTLFDHMAAL-ZDUSSCGKSA-N 0 3 312.404 3.015 20 10 DGCDHN Cc1cc(Cl)cc(CN[C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862432603 621589270 /nfs/dbraw/zinc/58/92/70/621589270.db2.gz KDYNHBNLXWSRML-KRWDZBQOSA-N 0 3 321.804 3.057 20 10 DGCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862486098 621594750 /nfs/dbraw/zinc/59/47/50/621594750.db2.gz VNOZKPUCBAGRSY-DZGCQCFKSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862486098 621594754 /nfs/dbraw/zinc/59/47/54/621594754.db2.gz VNOZKPUCBAGRSY-DZGCQCFKSA-N 0 3 305.418 3.192 20 10 DGCDHN CC(C)CN1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756393717 621635163 /nfs/dbraw/zinc/63/51/63/621635163.db2.gz TULCOGPYRITYFS-LBPRGKRZSA-N 0 3 312.404 3.441 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCN2CCC[C@@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756414864 621636876 /nfs/dbraw/zinc/63/68/76/621636876.db2.gz JFBOKUICXUDPBP-NFAWXSAZSA-N 0 3 306.425 3.401 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCCCn2ccnc2)c2c1c(F)ccc2[O-] ZINC000756458245 621639693 /nfs/dbraw/zinc/63/96/93/621639693.db2.gz KQTADRPKFDZNAU-OCCSQVGLSA-N 0 3 303.381 3.346 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756517952 621644605 /nfs/dbraw/zinc/64/46/05/621644605.db2.gz RIRWOGJETOWBCE-CMPLNLGQSA-N 0 3 324.396 3.194 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756568405 621649602 /nfs/dbraw/zinc/64/96/02/621649602.db2.gz DSNPPJMIGDZZQD-MWLCHTKSSA-N 0 3 320.330 3.163 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)c2c1c(F)ccc2[O-] ZINC000756641360 621655326 /nfs/dbraw/zinc/65/53/26/621655326.db2.gz VBKBWIPSKXSEFO-JMHDJWDWSA-N 0 3 313.372 3.328 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)c2c1c(F)ccc2[O-] ZINC000756659294 621657053 /nfs/dbraw/zinc/65/70/53/621657053.db2.gz CQHLPTKZDZUUQW-XUJVJEKNSA-N 0 3 319.376 3.113 20 10 DGCDHN COc1ccccc1[C@H](CO)N[C@H](C)c1ccc(C)c(C)c1O ZINC000756710664 621659765 /nfs/dbraw/zinc/65/97/65/621659765.db2.gz DWZKPKUKVSZVLT-PBHICJAKSA-N 0 3 315.413 3.402 20 10 DGCDHN C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000756712036 621659995 /nfs/dbraw/zinc/65/99/95/621659995.db2.gz PDXRXTFFAZHRRL-DCGLDWPTSA-N 0 3 303.377 3.347 20 10 DGCDHN Cc1cccc(NCC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC000756746182 621662324 /nfs/dbraw/zinc/66/23/24/621662324.db2.gz IOEKDYMBGDHKQB-BXUZGUMPSA-N 0 3 315.392 3.485 20 10 DGCDHN C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1cc(F)ccc1[O-] ZINC000756756969 621662362 /nfs/dbraw/zinc/66/23/62/621662362.db2.gz ASUJKEMUWOOWLQ-OCCSQVGLSA-N 0 3 317.360 3.412 20 10 DGCDHN C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(F)ccc1[O-] ZINC000756768675 621663448 /nfs/dbraw/zinc/66/34/48/621663448.db2.gz FZYFXGYQBICMCX-LLVKDONJSA-N 0 3 301.365 3.092 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCCC3)O2)c2c1c(F)ccc2[O-] ZINC000756785954 621664372 /nfs/dbraw/zinc/66/43/72/621664372.db2.gz HCVLLGGNJFRMRW-MBNYWOFBSA-N 0 3 321.392 3.355 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cccc(C(F)(F)F)c1[O-] ZINC000863544764 621682451 /nfs/dbraw/zinc/68/24/51/621682451.db2.gz ANFSPTLHSJOGBE-MXWKQRLJSA-N 0 3 302.340 3.202 20 10 DGCDHN C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000863544764 621682454 /nfs/dbraw/zinc/68/24/54/621682454.db2.gz ANFSPTLHSJOGBE-MXWKQRLJSA-N 0 3 302.340 3.202 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000863548552 621683188 /nfs/dbraw/zinc/68/31/88/621683188.db2.gz ZVTBRCOWNHWGRE-KXUCPTDWSA-N 0 3 303.233 3.490 20 10 DGCDHN C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000863548552 621683190 /nfs/dbraw/zinc/68/31/90/621683190.db2.gz ZVTBRCOWNHWGRE-KXUCPTDWSA-N 0 3 303.233 3.490 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC=C(c3ccccc3)C1)[C@H](O)CO2 ZINC000789545226 625521941 /nfs/dbraw/zinc/52/19/41/625521941.db2.gz FJOLYZYIHPTHOK-LJQANCHMSA-N 0 3 323.392 3.107 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC=C(c3ccccc3)C1)[C@H](O)CO2 ZINC000789545226 625521949 /nfs/dbraw/zinc/52/19/49/625521949.db2.gz FJOLYZYIHPTHOK-LJQANCHMSA-N 0 3 323.392 3.107 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC[C@H](n3ccnc3)C2)c1O ZINC000761193414 621993349 /nfs/dbraw/zinc/99/33/49/621993349.db2.gz AWKSVLHHQQAECF-AWEZNQCLSA-N 0 3 321.808 3.088 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1[O-] ZINC000866463171 622122317 /nfs/dbraw/zinc/12/23/17/622122317.db2.gz KMENWGFHYRTGSS-YVZVNANGSA-N 0 3 311.731 3.316 20 10 DGCDHN C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc(F)ccc1[O-] ZINC000866574707 622141288 /nfs/dbraw/zinc/14/12/88/622141288.db2.gz ZNTRGWIKPVFZMY-LBPRGKRZSA-N 0 3 313.376 3.311 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1cc(F)ccc1[O-] ZINC000866640230 622152475 /nfs/dbraw/zinc/15/24/75/622152475.db2.gz CKKZHDLXQLPKGE-LLVKDONJSA-N 0 3 316.376 3.362 20 10 DGCDHN O=c1[nH]c2c(cc1C[NH2+][C@H]1CCc3cccc([O-])c31)CCCC2 ZINC000866642105 622152789 /nfs/dbraw/zinc/15/27/89/622152789.db2.gz CGTSLZMWJRUYNT-INIZCTEOSA-N 0 3 310.397 3.149 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000789721676 625559226 /nfs/dbraw/zinc/55/92/26/625559226.db2.gz JIGPSUJPMTZZHQ-UHFFFAOYSA-N 0 3 310.401 3.368 20 10 DGCDHN CCOc1ccc(C[N@H+](C)Cc2cccc(OC)c2)c([O-])c1 ZINC000768164406 622442711 /nfs/dbraw/zinc/44/27/11/622442711.db2.gz ZNGHIIMVKHYHAA-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)Cc2cccc(OC)c2)c([O-])c1 ZINC000768164406 622442715 /nfs/dbraw/zinc/44/27/15/622442715.db2.gz ZNGHIIMVKHYHAA-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC(C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437807 622455613 /nfs/dbraw/zinc/45/56/13/622455613.db2.gz IKCSKMOWLBAMGG-SFHVURJKSA-N 0 3 313.397 3.229 20 10 DGCDHN CC(C)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437807 622455614 /nfs/dbraw/zinc/45/56/14/622455614.db2.gz IKCSKMOWLBAMGG-SFHVURJKSA-N 0 3 313.397 3.229 20 10 DGCDHN COc1cc(O)c(CN2CCCc3sccc3C2)cc1OC ZINC000768449489 622456747 /nfs/dbraw/zinc/45/67/47/622456747.db2.gz GZVVUCIFDSEFBH-UHFFFAOYSA-N 0 3 319.426 3.419 20 10 DGCDHN CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445151 622456911 /nfs/dbraw/zinc/45/69/11/622456911.db2.gz QEYVBTQFPLLXSW-CJNGLKHVSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445151 622456915 /nfs/dbraw/zinc/45/69/15/622456915.db2.gz QEYVBTQFPLLXSW-CJNGLKHVSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)CCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768463651 622457971 /nfs/dbraw/zinc/45/79/71/622457971.db2.gz KXYWYNWPRYKXTJ-GOSISDBHSA-N 0 3 319.445 3.466 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000768527856 622461912 /nfs/dbraw/zinc/46/19/12/622461912.db2.gz AZRYOYGBCKJCQY-UHFFFAOYSA-N 0 3 313.397 3.444 20 10 DGCDHN CCC[N@H+](Cc1ccc2c(c1)nnn2C)Cc1ccccc1[O-] ZINC000768531018 622462515 /nfs/dbraw/zinc/46/25/15/622462515.db2.gz STYSIOZGUKZGIZ-UHFFFAOYSA-N 0 3 310.401 3.086 20 10 DGCDHN CCC[N@@H+](Cc1ccc2c(c1)nnn2C)Cc1ccccc1[O-] ZINC000768531018 622462520 /nfs/dbraw/zinc/46/25/20/622462520.db2.gz STYSIOZGUKZGIZ-UHFFFAOYSA-N 0 3 310.401 3.086 20 10 DGCDHN COc1cc2c(cc1CN(C)Cc1ccccc1O)O[C@@H](C)C2 ZINC000768872050 622482159 /nfs/dbraw/zinc/48/21/59/622482159.db2.gz AOFQYXKJPLXNTR-ZDUSSCGKSA-N 0 3 313.397 3.356 20 10 DGCDHN COc1ccccc1[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769472663 622530842 /nfs/dbraw/zinc/53/08/42/622530842.db2.gz HVXDVQMGZHQLCY-AWEZNQCLSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccccc1[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769472663 622530844 /nfs/dbraw/zinc/53/08/44/622530844.db2.gz HVXDVQMGZHQLCY-AWEZNQCLSA-N 0 3 313.397 3.399 20 10 DGCDHN C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000769516421 622537494 /nfs/dbraw/zinc/53/74/94/622537494.db2.gz UWIKJASKZZIUJY-AWEZNQCLSA-N 0 3 308.853 3.209 20 10 DGCDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000769516421 622537497 /nfs/dbraw/zinc/53/74/97/622537497.db2.gz UWIKJASKZZIUJY-AWEZNQCLSA-N 0 3 308.853 3.209 20 10 DGCDHN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000770374311 622626170 /nfs/dbraw/zinc/62/61/70/622626170.db2.gz LDASYKSYUJFNBL-SUMWQHHRSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000770374311 622626174 /nfs/dbraw/zinc/62/61/74/622626174.db2.gz LDASYKSYUJFNBL-SUMWQHHRSA-N 0 3 320.864 3.494 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770665025 622657638 /nfs/dbraw/zinc/65/76/38/622657638.db2.gz NLYIPHDJWUNMCA-LJQANCHMSA-N 0 3 311.381 3.032 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770665025 622657642 /nfs/dbraw/zinc/65/76/42/622657642.db2.gz NLYIPHDJWUNMCA-LJQANCHMSA-N 0 3 311.381 3.032 20 10 DGCDHN COc1ccc(CNC(C)(C)C(=O)NCC2CCCC2)cc1C ZINC000771200932 622726636 /nfs/dbraw/zinc/72/66/36/622726636.db2.gz FAVWLXVFOCMELE-UHFFFAOYSA-N 0 3 318.461 3.178 20 10 DGCDHN CN(C)c1ccc(CN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000771935584 622820036 /nfs/dbraw/zinc/82/00/36/622820036.db2.gz YSFJWXUUVPLEAM-FQEVSTJZSA-N 0 3 309.457 3.241 20 10 DGCDHN Oc1cc2c(cc1CN1CCO[C@H](C(F)F)CC1)CCCC2 ZINC000872681832 622952707 /nfs/dbraw/zinc/95/27/07/622952707.db2.gz UVEXNSKQWXYIRF-INIZCTEOSA-N 0 3 311.372 3.127 20 10 DGCDHN COc1ccc(CN[C@H](C)c2cccnc2)cc1Cn1cccn1 ZINC000873009247 623016977 /nfs/dbraw/zinc/01/69/77/623016977.db2.gz ZXSJQOLSXSDHFV-OAHLLOKOSA-N 0 3 322.412 3.186 20 10 DGCDHN CCCOc1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1C ZINC000873131261 623044217 /nfs/dbraw/zinc/04/42/17/623044217.db2.gz QSIPGTGXSLEOBS-DLBZAZTESA-N 0 3 316.445 3.027 20 10 DGCDHN CC(C)N(C(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000774483971 623151412 /nfs/dbraw/zinc/15/14/12/623151412.db2.gz NXTQKCXDIZJEQT-HOTGVXAUSA-N 0 3 319.493 3.437 20 10 DGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1 ZINC000774486733 623151927 /nfs/dbraw/zinc/15/19/27/623151927.db2.gz XMDRHKHZNRUSFV-HZPDHXFCSA-N 0 3 317.477 3.194 20 10 DGCDHN CC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccccc1[O-] ZINC000775504315 623281476 /nfs/dbraw/zinc/28/14/76/623281476.db2.gz XKDWXNWWDHYGRK-AEFFLSMTSA-N 0 3 318.461 3.076 20 10 DGCDHN C[C@H](NCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775829945 623338408 /nfs/dbraw/zinc/33/84/08/623338408.db2.gz BEMNUBYAXSGBMQ-XHSDSOJGSA-N 0 3 317.477 3.193 20 10 DGCDHN COc1cc(O)c(CNCc2c(C)cccc2F)cc1OC ZINC000776221525 623399800 /nfs/dbraw/zinc/39/98/00/623399800.db2.gz WBNOEFJKBHXODX-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000776864626 623472871 /nfs/dbraw/zinc/47/28/71/623472871.db2.gz MIGNGHHZHWNFTG-ZNMIVQPWSA-N 0 3 320.433 3.300 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c([O-])c1 ZINC000776948544 623478671 /nfs/dbraw/zinc/47/86/71/623478671.db2.gz FKSXFNCWOLXYMZ-NVXWUHKLSA-N 0 3 307.434 3.474 20 10 DGCDHN CC[C@H](NC[C@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000777012291 623485434 /nfs/dbraw/zinc/48/54/34/623485434.db2.gz PCYBNDGKFMKGFQ-KBPBESRZSA-N 0 3 304.356 3.371 20 10 DGCDHN CC(C)C1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000777561208 623541774 /nfs/dbraw/zinc/54/17/74/623541774.db2.gz GWJDGKQOPLMLBG-MRXNPFEDSA-N 0 3 305.418 3.076 20 10 DGCDHN CO[C@](C)(C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CC1 ZINC000876531850 623635201 /nfs/dbraw/zinc/63/52/01/623635201.db2.gz RCAYMRIUNFIJIX-IEBWSBKVSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@](C)(C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CC1 ZINC000876531850 623635204 /nfs/dbraw/zinc/63/52/04/623635204.db2.gz RCAYMRIUNFIJIX-IEBWSBKVSA-N 0 3 319.445 3.188 20 10 DGCDHN C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000778991584 623717348 /nfs/dbraw/zinc/71/73/48/623717348.db2.gz AQNPFXNPPHPUKK-JFIYKMOQSA-N 0 3 319.445 3.188 20 10 DGCDHN C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000778991584 623717350 /nfs/dbraw/zinc/71/73/50/623717350.db2.gz AQNPFXNPPHPUKK-JFIYKMOQSA-N 0 3 319.445 3.188 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000876902759 623739992 /nfs/dbraw/zinc/73/99/92/623739992.db2.gz GNVCGYHJYZQUMI-UHFFFAOYSA-N 0 3 324.424 3.095 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c([O-])c1 ZINC000779187879 623740297 /nfs/dbraw/zinc/74/02/97/623740297.db2.gz AOULLGVRSVNNAI-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c([O-])c1 ZINC000779187879 623740299 /nfs/dbraw/zinc/74/02/99/623740299.db2.gz AOULLGVRSVNNAI-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000876969901 623757516 /nfs/dbraw/zinc/75/75/16/623757516.db2.gz CXOAMNOJJGRIQJ-HNNXBMFYSA-N 0 3 314.404 3.456 20 10 DGCDHN COc1ccccc1OCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877010029 623765027 /nfs/dbraw/zinc/76/50/27/623765027.db2.gz IPLCEGNNPCHMSN-UHFFFAOYSA-N 0 3 301.386 3.268 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000877018618 623767172 /nfs/dbraw/zinc/76/71/72/623767172.db2.gz ZFMZPAPHAZHKGC-UHFFFAOYSA-N 0 3 320.433 3.190 20 10 DGCDHN COC(=O)Nc1ccc(CC[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877061658 623779515 /nfs/dbraw/zinc/77/95/15/623779515.db2.gz OYLMCEBOSSVJBR-UHFFFAOYSA-N 0 3 314.385 3.211 20 10 DGCDHN CC(C)C[N@@H+]1CCC[C@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000877114973 623793989 /nfs/dbraw/zinc/79/39/89/623793989.db2.gz FYAICTNTQXOPQL-CYBMUJFWSA-N 0 3 312.404 3.128 20 10 DGCDHN CC(C)C[N@H+]1CCC[C@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000877114973 623793992 /nfs/dbraw/zinc/79/39/92/623793992.db2.gz FYAICTNTQXOPQL-CYBMUJFWSA-N 0 3 312.404 3.128 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000877571277 623947280 /nfs/dbraw/zinc/94/72/80/623947280.db2.gz SSMFKHNFCQPHQH-WBVHZDCISA-N 0 3 317.429 3.208 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000877571277 623947283 /nfs/dbraw/zinc/94/72/83/623947283.db2.gz SSMFKHNFCQPHQH-WBVHZDCISA-N 0 3 317.429 3.208 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780788956 623985608 /nfs/dbraw/zinc/98/56/08/623985608.db2.gz FJOBXHSJHFCDIP-AWEZNQCLSA-N 0 3 301.361 3.432 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780788956 623985611 /nfs/dbraw/zinc/98/56/11/623985611.db2.gz FJOBXHSJHFCDIP-AWEZNQCLSA-N 0 3 301.361 3.432 20 10 DGCDHN COc1ccc([C@@H]2CN(Cc3c(C)cccc3O)CCO2)cc1 ZINC000877756369 624022824 /nfs/dbraw/zinc/02/28/24/624022824.db2.gz UMTOEGMOEVTCDJ-IBGZPJMESA-N 0 3 313.397 3.283 20 10 DGCDHN C[C@H]([NH2+]Cc1ccccc1OCCCCO)c1ccccc1[O-] ZINC000877758280 624024061 /nfs/dbraw/zinc/02/40/61/624024061.db2.gz QTVJOROLDRKODN-HNNXBMFYSA-N 0 3 315.413 3.394 20 10 DGCDHN CCc1cccc(CN2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000877823611 624056807 /nfs/dbraw/zinc/05/68/07/624056807.db2.gz XLPYIQITJYACPJ-BXUZGUMPSA-N 0 3 317.351 3.496 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000878354270 624254289 /nfs/dbraw/zinc/25/42/89/624254289.db2.gz HSCJXBNLWQEAPG-GJZGRUSLSA-N 0 3 305.418 3.019 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000783325860 624338222 /nfs/dbraw/zinc/33/82/22/624338222.db2.gz QDPRQKHYKWTPDS-DUVNUKRYSA-N 0 3 315.388 3.273 20 10 DGCDHN COc1cccc(CC[NH2+][C@H](C)c2ccccc2[O-])c1OC ZINC000783504900 624359999 /nfs/dbraw/zinc/35/99/99/624359999.db2.gz ORYBPKQVTUZBNT-CYBMUJFWSA-N 0 3 301.386 3.303 20 10 DGCDHN CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000783717630 624386976 /nfs/dbraw/zinc/38/69/76/624386976.db2.gz COXIZYWGNRFMJZ-UHFFFAOYSA-N 0 3 320.433 3.271 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1[O-] ZINC000879648290 624620967 /nfs/dbraw/zinc/62/09/67/624620967.db2.gz IQRJSHRORDPNBH-UKRRQHHQSA-N 0 3 312.369 3.068 20 10 DGCDHN C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccccc1[O-] ZINC000879651964 624624039 /nfs/dbraw/zinc/62/40/39/624624039.db2.gz RCRHSFVUAYXCAR-STQMWFEESA-N 0 3 321.804 3.136 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCC1CCCCC1 ZINC000879651631 624624159 /nfs/dbraw/zinc/62/41/59/624624159.db2.gz DXALRWGLFGHWFD-UONOGXRCSA-N 0 3 304.434 3.128 20 10 DGCDHN C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccccc1[O-] ZINC000879651518 624624304 /nfs/dbraw/zinc/62/43/04/624624304.db2.gz ZFMZVZWUTHZLBV-AWEZNQCLSA-N 0 3 304.434 3.129 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1[O-] ZINC000879650590 624624510 /nfs/dbraw/zinc/62/45/10/624624510.db2.gz IQRJSHRORDPNBH-DZGCQCFKSA-N 0 3 312.369 3.068 20 10 DGCDHN CCc1nc(NC(=O)CN[C@@H](C)c2ccccc2O)sc1C ZINC000879651156 624624768 /nfs/dbraw/zinc/62/47/68/624624768.db2.gz KJLPOEQRMUNFJV-JTQLQIEISA-N 0 3 319.430 3.009 20 10 DGCDHN CCc1nc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])sc1C ZINC000879651156 624624769 /nfs/dbraw/zinc/62/47/69/624624769.db2.gz KJLPOEQRMUNFJV-JTQLQIEISA-N 0 3 319.430 3.009 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N[C@@H]1CCCC[C@H]1C ZINC000879653370 624626854 /nfs/dbraw/zinc/62/68/54/624626854.db2.gz PITCEMCBUKOSQC-ORIJERBGSA-N 0 3 304.434 3.126 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H](C(=O)OC)[C@@H]2C)cc1F ZINC000787420456 625008541 /nfs/dbraw/zinc/00/85/41/625008541.db2.gz HGQURIYVOLZGKA-ZFWWWQNUSA-N 0 3 322.424 3.055 20 10 DGCDHN COc1ccc(N2CCN(C[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000787730773 625041575 /nfs/dbraw/zinc/04/15/75/625041575.db2.gz NEKJSIPNMPCAAS-AWEZNQCLSA-N 0 3 310.388 3.253 20 10 DGCDHN CC(C)[N@@H+]1CC[C@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790963050 625724825 /nfs/dbraw/zinc/72/48/25/625724825.db2.gz XNGNJOVINQNZEL-LLVKDONJSA-N 0 3 300.805 3.005 20 10 DGCDHN CC(C)[N@H+]1CC[C@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790963050 625724829 /nfs/dbraw/zinc/72/48/29/625724829.db2.gz XNGNJOVINQNZEL-LLVKDONJSA-N 0 3 300.805 3.005 20 10 DGCDHN CCCN(CCC)c1ccc(CNC[C@@H](O)C(F)(F)F)cc1 ZINC000791000672 625734390 /nfs/dbraw/zinc/73/43/90/625734390.db2.gz VRTLMXNZKOAKBI-OAHLLOKOSA-N 0 3 318.383 3.326 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cc(F)ccc1[O-] ZINC000797130983 626116897 /nfs/dbraw/zinc/11/68/97/626116897.db2.gz CWRFVIHNFDSKAG-IPQOISQHSA-N 0 3 321.417 3.261 20 10 DGCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000797604871 626159161 /nfs/dbraw/zinc/15/91/61/626159161.db2.gz JUEBBUKZYOUCDJ-HXUWFJFHSA-N 0 3 324.424 3.017 20 10 DGCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000797604871 626159164 /nfs/dbraw/zinc/15/91/64/626159164.db2.gz JUEBBUKZYOUCDJ-HXUWFJFHSA-N 0 3 324.424 3.017 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(C)C)C1=O ZINC000801599501 626411857 /nfs/dbraw/zinc/41/18/57/626411857.db2.gz QNGLFWQLDNOWJP-KRWDZBQOSA-N 0 3 318.461 3.394 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(C)C)C1=O ZINC000801599501 626411858 /nfs/dbraw/zinc/41/18/58/626411858.db2.gz QNGLFWQLDNOWJP-KRWDZBQOSA-N 0 3 318.461 3.394 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]CCCOC(F)F)c1[O-] ZINC000802657207 626565485 /nfs/dbraw/zinc/56/54/85/626565485.db2.gz WGYKADATSLNMDJ-UHFFFAOYSA-N 0 3 324.165 3.182 20 10 DGCDHN COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000802658262 626565930 /nfs/dbraw/zinc/56/59/30/626565930.db2.gz QFVOPNKZKNYOON-OAHLLOKOSA-N 0 3 305.324 3.456 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(C)cc1[O-] ZINC000883275969 626633201 /nfs/dbraw/zinc/63/32/01/626633201.db2.gz DFTRZMVMVAGEEB-NVXWUHKLSA-N 0 3 303.402 3.186 20 10 DGCDHN c1cn(C[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2)cn1 ZINC000883398258 626672983 /nfs/dbraw/zinc/67/29/83/626672983.db2.gz HZNWTFICDXOJCU-LJQANCHMSA-N 0 3 319.408 3.349 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000806180532 626704832 /nfs/dbraw/zinc/70/48/32/626704832.db2.gz OXVOEXWHIPLADR-JSGCOSHPSA-N 0 3 305.805 3.472 20 10 DGCDHN Cc1cc(O)c(CN2CC[C@H](OC(=O)N(C)C)C2)cc1C(C)C ZINC000840106377 626763760 /nfs/dbraw/zinc/76/37/60/626763760.db2.gz UCCBGAHUXLQLCJ-HNNXBMFYSA-N 0 3 320.433 3.097 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000808701790 626851056 /nfs/dbraw/zinc/85/10/56/626851056.db2.gz IRFJNAOPXYMFIN-GXFFZTMASA-N 0 3 305.809 3.285 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)c1[O-] ZINC000808702515 626851189 /nfs/dbraw/zinc/85/11/89/626851189.db2.gz YAOCAYZNDPDZHY-OBJOEFQTSA-N 0 3 313.825 3.199 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1[O-] ZINC000808706551 626851989 /nfs/dbraw/zinc/85/19/89/626851989.db2.gz MRSOKLBOHNJPGW-DLXBUUHESA-N 0 3 322.836 3.014 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1[O-] ZINC000808715532 626853018 /nfs/dbraw/zinc/85/30/18/626853018.db2.gz VLILYIHOQWRABP-WCQYABFASA-N 0 3 305.809 3.216 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)c1ccccc1[O-] ZINC000808724513 626854364 /nfs/dbraw/zinc/85/43/64/626854364.db2.gz WKRRTXGSWFMMPM-LEUOFYLZSA-N 0 3 316.445 3.080 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CSC[C@@H]2C)c1[O-] ZINC000809702276 626938450 /nfs/dbraw/zinc/93/84/50/626938450.db2.gz FBYIFFQQPQROMP-CABZTGNLSA-N 0 3 316.264 3.304 20 10 DGCDHN Cc1cccc(CN(CC(=O)N2CCCCCC2)C(C)C)c1O ZINC000809714664 626940601 /nfs/dbraw/zinc/94/06/01/626940601.db2.gz NTBNANNTXUTLNH-UHFFFAOYSA-N 0 3 318.461 3.314 20 10 DGCDHN CC(C)NC(=O)OC[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC000809720431 626941187 /nfs/dbraw/zinc/94/11/87/626941187.db2.gz GGWLIAPEULRGQV-OAHLLOKOSA-N 0 3 324.396 3.020 20 10 DGCDHN CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000809720431 626941189 /nfs/dbraw/zinc/94/11/89/626941189.db2.gz GGWLIAPEULRGQV-OAHLLOKOSA-N 0 3 324.396 3.020 20 10 DGCDHN CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000809720431 626941191 /nfs/dbraw/zinc/94/11/91/626941191.db2.gz GGWLIAPEULRGQV-OAHLLOKOSA-N 0 3 324.396 3.020 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000809793711 626955136 /nfs/dbraw/zinc/95/51/36/626955136.db2.gz LOYOBRHNJZGURU-OAQYLSRUSA-N 0 3 323.845 3.381 20 10 DGCDHN COc1ccc(N2CCCN(Cc3oc(C)nc3C)CC2)cc1 ZINC000809935771 626960691 /nfs/dbraw/zinc/96/06/91/626960691.db2.gz YNGAYWASVZFDEZ-UHFFFAOYSA-N 0 3 315.417 3.012 20 10 DGCDHN CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000810263506 626994571 /nfs/dbraw/zinc/99/45/71/626994571.db2.gz OJCSKVUDFYVQDN-NWDGAFQWSA-N 0 3 300.393 3.441 20 10 DGCDHN CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000810263506 626994572 /nfs/dbraw/zinc/99/45/72/626994572.db2.gz OJCSKVUDFYVQDN-NWDGAFQWSA-N 0 3 300.393 3.441 20 10 DGCDHN COc1ccc(O)c(CNCc2cc(C)cc(OC)c2OC)c1 ZINC000885985976 627076674 /nfs/dbraw/zinc/07/66/74/627076674.db2.gz VVASVPCYLBLWHA-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000886548267 627161055 /nfs/dbraw/zinc/16/10/55/627161055.db2.gz ZTWKNQGPTHKFPL-QLFBSQMISA-N 0 3 324.440 3.071 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1ccccc1[O-] ZINC000886771134 627202848 /nfs/dbraw/zinc/20/28/48/627202848.db2.gz CRBNQHLPGZWRBU-FQRJBHLQSA-N 0 3 305.418 3.015 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1ccccc1[O-] ZINC000886772222 627203242 /nfs/dbraw/zinc/20/32/42/627203242.db2.gz VMCZSGACFBXPFK-AMILPRIGSA-N 0 3 319.445 3.406 20 10 DGCDHN COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)[C@H]1CCCOC1 ZINC000886788742 627204550 /nfs/dbraw/zinc/20/45/50/627204550.db2.gz HZJJHGJHRATDOQ-VIRABCJISA-N 0 3 323.408 3.111 20 10 DGCDHN COc1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811792391 627322803 /nfs/dbraw/zinc/32/28/03/627322803.db2.gz OHTLQGPXFNAZAP-WMZOPIPTSA-N 0 3 317.429 3.243 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1[O-] ZINC000813881032 627518390 /nfs/dbraw/zinc/51/83/90/627518390.db2.gz KSQLMBURHLVHIG-KRWDZBQOSA-N 0 3 322.408 3.485 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c([O-])c1 ZINC000814178419 627547484 /nfs/dbraw/zinc/54/74/84/627547484.db2.gz PFEQURBYZAFBTR-INIZCTEOSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c([O-])c1 ZINC000814178419 627547488 /nfs/dbraw/zinc/54/74/88/627547488.db2.gz PFEQURBYZAFBTR-INIZCTEOSA-N 0 3 305.418 3.039 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](c1ccccc1)C1CC1)OCO2 ZINC000814299188 627557338 /nfs/dbraw/zinc/55/73/38/627557338.db2.gz QQNVPQQKSVMAGD-MRXNPFEDSA-N 0 3 311.381 3.404 20 10 DGCDHN COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000815122877 627631835 /nfs/dbraw/zinc/63/18/35/627631835.db2.gz QJTQQQWGJWMRSR-ZBFHGGJFSA-N 0 3 305.418 3.384 20 10 DGCDHN Cc1nccnc1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000815152917 627638807 /nfs/dbraw/zinc/63/88/07/627638807.db2.gz AHBLEIVJCNDGKI-UHFFFAOYSA-N 0 3 319.408 3.490 20 10 DGCDHN C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611918 627814350 /nfs/dbraw/zinc/81/43/50/627814350.db2.gz AJFHRZIIZQOHTK-ABAIWWIYSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611918 627814352 /nfs/dbraw/zinc/81/43/52/627814352.db2.gz AJFHRZIIZQOHTK-ABAIWWIYSA-N 0 3 312.816 3.101 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000817942302 627968510 /nfs/dbraw/zinc/96/85/10/627968510.db2.gz NZNYXLPMOJJQBB-MSOLQXFVSA-N 0 3 313.445 3.199 20 10 DGCDHN CC(C)C[C@@H](CN)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000817958981 627975125 /nfs/dbraw/zinc/97/51/25/627975125.db2.gz NXWHBGMXNOMAQD-PWSUYJOCSA-N 0 3 315.255 3.179 20 10 DGCDHN CCCC[C@H](CN)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817963201 627976723 /nfs/dbraw/zinc/97/67/23/627976723.db2.gz SFQIRPQCWJIUTB-CMPLNLGQSA-N 0 3 315.255 3.323 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000817969521 627978877 /nfs/dbraw/zinc/97/88/77/627978877.db2.gz VWDJPONNEHHOJN-SWHYSGLUSA-N 0 3 316.367 3.450 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970788 627979619 /nfs/dbraw/zinc/97/96/19/627979619.db2.gz FGLPYRMPUWVQGA-PTRXPTGYSA-N 0 3 303.233 3.348 20 10 DGCDHN CCO[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])CN(C)C ZINC000926965052 627990703 /nfs/dbraw/zinc/99/07/03/627990703.db2.gz ZWEGWFBGTHJFBH-GDBMZVCRSA-N 0 3 316.445 3.163 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@@](CO)(c3ccccc3)C1)CC2 ZINC000927154189 628027629 /nfs/dbraw/zinc/02/76/29/628027629.db2.gz BFSDFCBDLZJYKD-HLIPFELVSA-N 0 3 309.409 3.062 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000824483945 628664423 /nfs/dbraw/zinc/66/44/23/628664423.db2.gz XBQVNOWYKIEBCT-GFCCVEGCSA-N 0 3 301.411 3.380 20 10 DGCDHN CC(C)N(Cc1cnc2n1CCC2)Cc1ccc(N(C)C)cc1 ZINC000824566454 628671650 /nfs/dbraw/zinc/67/16/50/628671650.db2.gz KIEKFVUFLPLKHJ-UHFFFAOYSA-N 0 3 312.461 3.306 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971688 628712579 /nfs/dbraw/zinc/71/25/79/628712579.db2.gz WTHVZXXWJOHWKF-CYBMUJFWSA-N 0 3 304.217 3.464 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)[C@H]1CNCc2ccccc21 ZINC000828147645 629028006 /nfs/dbraw/zinc/02/80/06/629028006.db2.gz HOMHXMVFCNXWAF-SFHVURJKSA-N 0 3 324.424 3.018 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCN1CCc3ccccc3C1)CC2 ZINC000834501729 629718348 /nfs/dbraw/zinc/71/83/48/629718348.db2.gz IBMQOAYYIYRGLT-IBGZPJMESA-N 0 3 322.452 3.418 20 10 DGCDHN C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834531452 629721105 /nfs/dbraw/zinc/72/11/05/629721105.db2.gz ZMIQSRMYNUBNFZ-GDBMZVCRSA-N 0 3 302.462 3.480 20 10 DGCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCc2ccccc2C1 ZINC000834538696 629723739 /nfs/dbraw/zinc/72/37/39/629723739.db2.gz WBKXQNZRNULWBF-BEFAXECRSA-N 0 3 322.452 3.416 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@]1(O)CCCc3ccccc31)CC2 ZINC000834576161 629732456 /nfs/dbraw/zinc/73/24/56/629732456.db2.gz TUXFIKGISOMZGX-YLJYHZDGSA-N 0 3 309.409 3.193 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C(=O)N1c1ccccc1 ZINC000834674006 629754594 /nfs/dbraw/zinc/75/45/94/629754594.db2.gz ZRYXPKHPKLVGLQ-XYPHTWIQSA-N 0 3 322.408 3.163 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1COC3(CCCCCC3)O1)CC2 ZINC000834737880 629770370 /nfs/dbraw/zinc/77/03/70/629770370.db2.gz ZPYHLADURJOTOA-HZPDHXFCSA-N 0 3 317.429 3.435 20 10 DGCDHN C[S@](=O)Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834799233 629781796 /nfs/dbraw/zinc/78/17/96/629781796.db2.gz XQNAJHBXLRGSHV-AOMKIAJQSA-N 0 3 315.438 3.048 20 10 DGCDHN CC[C@H](NCc1n[nH]c(C(C)C)n1)c1ccc(N(C)C)cc1 ZINC000834869743 629794286 /nfs/dbraw/zinc/79/42/86/629794286.db2.gz FWPZKCMYPYGDCS-HNNXBMFYSA-N 0 3 301.438 3.235 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H](O)C(F)F ZINC000834875503 629795319 /nfs/dbraw/zinc/79/53/19/629795319.db2.gz QBVGVDJPIPGKHC-KODWOLAFSA-N 0 3 303.324 3.074 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])[C@H](O)C(F)F ZINC000834875863 629795589 /nfs/dbraw/zinc/79/55/89/629795589.db2.gz UWSUOBDCVLTWSP-QWRKXWFKSA-N 0 3 307.768 3.409 20 10 DGCDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834880788 629796234 /nfs/dbraw/zinc/79/62/34/629796234.db2.gz QUPWUFYQTCFZAS-SLEUVZQESA-N 0 3 313.825 3.056 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c([O-])c1 ZINC000834899393 629801980 /nfs/dbraw/zinc/80/19/80/629801980.db2.gz PRFQABIWEDXVNR-DEYYWGMASA-N 0 3 315.417 3.005 20 10 DGCDHN Cc1cnc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000834910701 629806749 /nfs/dbraw/zinc/80/67/49/629806749.db2.gz YDOIJTMHFJPLIN-LBPRGKRZSA-N 0 3 305.809 3.346 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000835040911 629831859 /nfs/dbraw/zinc/83/18/59/629831859.db2.gz VYXJHSXHJURGKF-RTLBZRNLSA-N 0 3 314.404 3.228 20 10 DGCDHN Cc1ccsc1[C@H](CO)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835042884 629832668 /nfs/dbraw/zinc/83/26/68/629832668.db2.gz LCVCMXSKROOTOR-BDUNBXCCSA-N 0 3 316.470 3.459 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000835059239 629840572 /nfs/dbraw/zinc/84/05/72/629840572.db2.gz ZPSLVMYFWYUXPF-UHFFFAOYSA-N 0 3 309.409 3.456 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CS[C@@H](C)C2)c1[O-] ZINC000840959635 630386094 /nfs/dbraw/zinc/38/60/94/630386094.db2.gz XPWRUPDZAACGPB-JOYOIKCWSA-N 0 3 316.264 3.447 20 10 DGCDHN CC1(C)CNCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841072022 630404327 /nfs/dbraw/zinc/40/43/27/630404327.db2.gz DUAXMEDAEJKGJI-GFCCVEGCSA-N 0 3 303.233 3.177 20 10 DGCDHN COc1cc(CN2C[C@@H](C)OC3(CCCC3)C2)c(O)cc1C ZINC000842644224 630557838 /nfs/dbraw/zinc/55/78/38/630557838.db2.gz DUXVQVZGLUQYKO-CQSZACIVSA-N 0 3 305.418 3.243 20 10 DGCDHN NCC[N@H+](CCc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000843122011 630616008 /nfs/dbraw/zinc/61/60/08/630616008.db2.gz MZCUDOZIZCQWNS-UHFFFAOYSA-N 0 3 322.811 3.188 20 10 DGCDHN NCC[N@@H+](CCc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000843122011 630616010 /nfs/dbraw/zinc/61/60/10/630616010.db2.gz MZCUDOZIZCQWNS-UHFFFAOYSA-N 0 3 322.811 3.188 20 10 DGCDHN [NH3+]CCN(CCc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000843122011 630616014 /nfs/dbraw/zinc/61/60/14/630616014.db2.gz MZCUDOZIZCQWNS-UHFFFAOYSA-N 0 3 322.811 3.188 20 10 DGCDHN COc1ncncc1CN(Cc1ccccc1O)C1CCCC1 ZINC000843396380 630652233 /nfs/dbraw/zinc/65/22/33/630652233.db2.gz BSSNPLMRICHFRG-UHFFFAOYSA-N 0 3 313.401 3.136 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000843415910 630654332 /nfs/dbraw/zinc/65/43/32/630654332.db2.gz FAHHJNPLMLMLKX-JKSUJKDBSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000843415910 630654335 /nfs/dbraw/zinc/65/43/35/630654335.db2.gz FAHHJNPLMLMLKX-JKSUJKDBSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c([O-])c1 ZINC000843432118 630658025 /nfs/dbraw/zinc/65/80/25/630658025.db2.gz QXZKBPOMTCIPJW-AWEZNQCLSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c([O-])c1 ZINC000843432118 630658026 /nfs/dbraw/zinc/65/80/26/630658026.db2.gz QXZKBPOMTCIPJW-AWEZNQCLSA-N 0 3 305.418 3.182 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCS[C@H]2C)c1[O-] ZINC000843435198 630659056 /nfs/dbraw/zinc/65/90/56/630659056.db2.gz RBFWGAAXZDVSPV-CABZTGNLSA-N 0 3 316.264 3.447 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CNc3ccccc3C2)c1[O-] ZINC000844904850 630972680 /nfs/dbraw/zinc/97/26/80/630972680.db2.gz CYJNRIZPPCPTAQ-CQSZACIVSA-N 0 3 318.804 3.181 20 10 DGCDHN Cc1cc(O)c(CN[C@@H](c2ccccc2F)[C@@H](C)O)cc1C ZINC000846015717 631206287 /nfs/dbraw/zinc/20/62/87/631206287.db2.gz CXAJMBQRODCRNW-FZKQIMNGSA-N 0 3 303.377 3.360 20 10 DGCDHN Cc1cc(O)c(CN[C@H](c2ccccc2F)[C@H](C)O)cc1C ZINC000846015720 631206414 /nfs/dbraw/zinc/20/64/14/631206414.db2.gz CXAJMBQRODCRNW-UGSOOPFHSA-N 0 3 303.377 3.360 20 10 DGCDHN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cccc(OC)c2O)n[nH]1 ZINC000846167009 631213173 /nfs/dbraw/zinc/21/31/73/631213173.db2.gz QRPGHNGCGDBEKQ-SDDRHHMPSA-N 0 3 318.421 3.444 20 10 DGCDHN C[C@H](O)[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000846181557 631213941 /nfs/dbraw/zinc/21/39/41/631213941.db2.gz CFEARDPGCRTEHO-BKGUAONASA-N 0 3 301.361 3.230 20 10 DGCDHN CC(C)C[N@H+](C)CCCN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000846178472 631213967 /nfs/dbraw/zinc/21/39/67/631213967.db2.gz WDISTLWAHGTIJE-GFCCVEGCSA-N 0 3 300.393 3.299 20 10 DGCDHN CC(C)C[N@@H+](C)CCCN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000846178472 631213968 /nfs/dbraw/zinc/21/39/68/631213968.db2.gz WDISTLWAHGTIJE-GFCCVEGCSA-N 0 3 300.393 3.299 20 10 DGCDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000848526416 631678289 /nfs/dbraw/zinc/67/82/89/631678289.db2.gz ZOIJTVZQAVPOKC-INIZCTEOSA-N 0 3 310.353 3.307 20 10 DGCDHN CCc1cccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1O ZINC000848905292 631780318 /nfs/dbraw/zinc/78/03/18/631780318.db2.gz GGHJGJPEXCQRGX-RYUDHWBXSA-N 0 3 302.422 3.437 20 10 DGCDHN CCc1cccc(CN2CCC[C@](OC)(C(F)(F)F)C2)c1O ZINC000848905832 631781622 /nfs/dbraw/zinc/78/16/22/631781622.db2.gz PAIYCISZZHCFID-OAHLLOKOSA-N 0 3 317.351 3.498 20 10 DGCDHN Cc1c[nH]c(CNCCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000850013829 632029122 /nfs/dbraw/zinc/02/91/22/632029122.db2.gz CBZHRFYONOEMFG-UHFFFAOYSA-N 0 3 308.429 3.458 20 10 DGCDHN COc1cc(CNCc2cnn(C)c2C)c(O)c(C(C)(C)C)c1 ZINC000850225989 632085390 /nfs/dbraw/zinc/08/53/90/632085390.db2.gz JKPYBQFULBGWGD-UHFFFAOYSA-N 0 3 317.433 3.030 20 10 DGCDHN COC[C@@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])OC ZINC000850345221 632119831 /nfs/dbraw/zinc/11/98/31/632119831.db2.gz OQBVWPMUFAZVLF-GOSISDBHSA-N 0 3 315.413 3.200 20 10 DGCDHN CCc1ccc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850347300 632120824 /nfs/dbraw/zinc/12/08/24/632120824.db2.gz PZUWYMCJWIXSFR-AWEZNQCLSA-N 0 3 300.402 3.219 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000850355884 632123888 /nfs/dbraw/zinc/12/38/88/632123888.db2.gz MGKKNLZTBRKAGF-CQSZACIVSA-N 0 3 303.324 3.372 20 10 DGCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cncs3)C2)cc1 ZINC000850488422 632168694 /nfs/dbraw/zinc/16/86/94/632168694.db2.gz MRHHIOCKKBTSBA-CHWSQXEVSA-N 0 3 303.431 3.081 20 10 DGCDHN COC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C1CCOCC1 ZINC000850493421 632170824 /nfs/dbraw/zinc/17/08/24/632170824.db2.gz HLZZILOLODHXAZ-CQDKDKBSSA-N 0 3 323.408 3.111 20 10 DGCDHN CC[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(C)cc1[O-] ZINC000850496041 632171733 /nfs/dbraw/zinc/17/17/33/632171733.db2.gz MKUBLIKZUQCLGW-LAJNKCICSA-N 0 3 323.380 3.052 20 10 DGCDHN COC(=O)c1nc(CN[C@H](C)c2ccccc2O)ccc1Cl ZINC000850515103 632176654 /nfs/dbraw/zinc/17/66/54/632176654.db2.gz ZOQFECBIFUTCBG-SNVBAGLBSA-N 0 3 320.776 3.078 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2COc3cc(F)ccc3C2)c([O-])c1 ZINC000850536771 632186019 /nfs/dbraw/zinc/18/60/19/632186019.db2.gz JSUZMWGKBJRRGH-SWLSCSKDSA-N 0 3 301.361 3.494 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1[O-] ZINC000850555416 632192189 /nfs/dbraw/zinc/19/21/89/632192189.db2.gz IFDJQNHWLGJIII-HIFRSBDPSA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(F)ccc1[O-] ZINC000850566290 632196519 /nfs/dbraw/zinc/19/65/19/632196519.db2.gz KYJGONZSUXQFQL-SNVBAGLBSA-N 0 3 303.324 3.122 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c1 ZINC000850574402 632199302 /nfs/dbraw/zinc/19/93/02/632199302.db2.gz YAAXAYZKLKWNNW-AWEZNQCLSA-N 0 3 304.434 3.177 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)CC2 ZINC000850580067 632200921 /nfs/dbraw/zinc/20/09/21/632200921.db2.gz GJLUTNQETMGJNZ-ZFWWWQNUSA-N 0 3 323.314 3.120 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000184912693 660194396 /nfs/dbraw/zinc/19/43/96/660194396.db2.gz WPFRTMZGJNHFHX-XHSDSOJGSA-N 0 3 320.477 3.239 20 10 DGCDHN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184916570 660195060 /nfs/dbraw/zinc/19/50/60/660195060.db2.gz PURKTUOSKWWVEK-LLVKDONJSA-N 0 3 302.349 3.341 20 10 DGCDHN CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000186900976 660583183 /nfs/dbraw/zinc/58/31/83/660583183.db2.gz HRCLABZSVLYOKJ-UHFFFAOYSA-N 0 3 314.385 3.192 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCN1CC=CCC1 ZINC000793321090 661024236 /nfs/dbraw/zinc/02/42/36/661024236.db2.gz ZDMJCYZLGYDJFN-UHFFFAOYSA-N 0 3 308.425 3.411 20 10 DGCDHN COc1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000793391414 661029488 /nfs/dbraw/zinc/02/94/88/661029488.db2.gz YFAFTVBVXCZLEG-GQCTYLIASA-N 0 3 314.341 3.112 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c([O-])c1 ZINC000793391384 661029514 /nfs/dbraw/zinc/02/95/14/661029514.db2.gz XASZQZPYPRGTFH-OAHLLOKOSA-N 0 3 303.789 3.311 20 10 DGCDHN CC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794818593 661107171 /nfs/dbraw/zinc/10/71/71/661107171.db2.gz VRGOKIYMONDCNP-FUHWJXTLSA-N 0 3 317.404 3.484 20 10 DGCDHN CNC(=O)C[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000795850652 661175801 /nfs/dbraw/zinc/17/58/01/661175801.db2.gz CBANYBKCKMZUKZ-WBMJQRKESA-N 0 3 316.376 3.059 20 10 DGCDHN CC[C@H]([NH2+][C@@H](CC(=O)NC)c1ccccc1)c1ccccc1[O-] ZINC000795849702 661175978 /nfs/dbraw/zinc/17/59/78/661175978.db2.gz QCSJXJNRQWSBJS-IRXDYDNUSA-N 0 3 312.413 3.310 20 10 DGCDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000161256752 655775628 /nfs/dbraw/zinc/77/56/28/655775628.db2.gz MIIVAVRJNRRVQY-INIZCTEOSA-N 0 3 311.429 3.077 20 10 DGCDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(N(C)C)cc2)o1 ZINC000048040705 655776817 /nfs/dbraw/zinc/77/68/17/655776817.db2.gz IZQAZCQVILQIAA-UHFFFAOYSA-N 0 3 310.401 3.334 20 10 DGCDHN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(CN(C)C)c1 ZINC000177685746 655940094 /nfs/dbraw/zinc/94/00/94/655940094.db2.gz ZNHZMPZKIYTIHR-UHFFFAOYSA-N 0 3 314.385 3.029 20 10 DGCDHN Cc1ccnc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)c1 ZINC000165929602 655992427 /nfs/dbraw/zinc/99/24/27/655992427.db2.gz LUELBHPUEMNVNM-UHFFFAOYSA-N 0 3 311.429 3.035 20 10 DGCDHN COc1cc(CN2CCc3c(cccc3OC)C2)c(O)cc1C ZINC000181444403 656099185 /nfs/dbraw/zinc/09/91/85/656099185.db2.gz AAOMNARTHGABEN-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000191585677 656170708 /nfs/dbraw/zinc/17/07/08/656170708.db2.gz HERLZNQUANFHEM-CZUORRHYSA-N 0 3 303.377 3.094 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(C#N)cc1 ZINC000305056789 657714972 /nfs/dbraw/zinc/71/49/72/657714972.db2.gz CUMYGJFMKFCUIZ-IBGZPJMESA-N 0 3 310.397 3.209 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(C#N)cc1 ZINC000305056789 657714982 /nfs/dbraw/zinc/71/49/82/657714982.db2.gz CUMYGJFMKFCUIZ-IBGZPJMESA-N 0 3 310.397 3.209 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCO[C@@H](C)[C@@H]3C)c2c1 ZINC000164144484 658919590 /nfs/dbraw/zinc/91/95/90/658919590.db2.gz UEPZTZFAPDKDGX-STQMWFEESA-N 0 3 301.386 3.163 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2Cc3ccccc32)c1[O-] ZINC000228673388 659202157 /nfs/dbraw/zinc/20/21/57/659202157.db2.gz GIJZTJDZPUWVND-GFCCVEGCSA-N 0 3 303.789 3.484 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(C)(C)CC ZINC000174372614 659429631 /nfs/dbraw/zinc/42/96/31/659429631.db2.gz HQBQRGSWBZLNQY-AWEZNQCLSA-N 0 3 306.450 3.298 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(C)(C)CC ZINC000174372614 659429634 /nfs/dbraw/zinc/42/96/34/659429634.db2.gz HQBQRGSWBZLNQY-AWEZNQCLSA-N 0 3 306.450 3.298 20 10 DGCDHN C[C@H](NCC1(C)OCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000179575482 659933156 /nfs/dbraw/zinc/93/31/56/659933156.db2.gz LEJLTWJKCRMSNU-INIZCTEOSA-N 0 3 318.461 3.481 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000179875905 659944817 /nfs/dbraw/zinc/94/48/17/659944817.db2.gz UPVRHBPJCOKQQU-LLVKDONJSA-N 0 3 304.777 3.335 20 10 DGCDHN Cc1cccc(CN2CCO[C@]3(CCc4ccccc43)C2)c1O ZINC000180414804 659962313 /nfs/dbraw/zinc/96/23/13/659962313.db2.gz DUPKABWPEOWUFU-HXUWFJFHSA-N 0 3 309.409 3.375 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000068973685 659970826 /nfs/dbraw/zinc/97/08/26/659970826.db2.gz TVIBVNHXQOFWAS-GOSISDBHSA-N 0 3 303.377 3.477 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000068973685 659970829 /nfs/dbraw/zinc/97/08/29/659970829.db2.gz TVIBVNHXQOFWAS-GOSISDBHSA-N 0 3 303.377 3.477 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cc(C#N)ccc2OC)c1 ZINC000182357410 660045776 /nfs/dbraw/zinc/04/57/76/660045776.db2.gz NHKDXNFSIQWLGI-LBPRGKRZSA-N 0 3 312.369 3.132 20 10 DGCDHN COC(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000182436214 660052950 /nfs/dbraw/zinc/05/29/50/660052950.db2.gz VRIDIGAFHMUUSZ-JTQLQIEISA-N 0 3 321.398 3.100 20 10 DGCDHN C[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000183398113 660109603 /nfs/dbraw/zinc/10/96/03/660109603.db2.gz HFMABUYUEJNGDS-INIZCTEOSA-N 0 3 310.441 3.491 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000183633815 660128071 /nfs/dbraw/zinc/12/80/71/660128071.db2.gz JJXAZJNFMUQFJJ-SWLSCSKDSA-N 0 3 320.433 3.346 20 10 DGCDHN CCOCCOCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929634252 661322897 /nfs/dbraw/zinc/32/28/97/661322897.db2.gz BVZZYZJLUSISLX-UHFFFAOYSA-N 0 3 307.434 3.190 20 10 DGCDHN CCOCCOCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929634252 661322899 /nfs/dbraw/zinc/32/28/99/661322899.db2.gz BVZZYZJLUSISLX-UHFFFAOYSA-N 0 3 307.434 3.190 20 10 DGCDHN COc1ccc(O)c(CN2CCN(c3cccc(C)c3)CC2)c1 ZINC000155974640 661856151 /nfs/dbraw/zinc/85/61/51/661856151.db2.gz RJGSHCGGFZWILU-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN COc1ccc(N2CCCN(Cc3ccc(C)cn3)CC2)cc1 ZINC000156267852 661861447 /nfs/dbraw/zinc/86/14/47/661861447.db2.gz MNLASQKBOMJVOP-UHFFFAOYSA-N 0 3 311.429 3.111 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(O)c1 ZINC000156841799 661865292 /nfs/dbraw/zinc/86/52/92/661865292.db2.gz VEJMKQJDOREIHX-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN C[C@@H]1CN(c2ccccc2F)CCN1Cc1ccccc1O ZINC000188033016 661911686 /nfs/dbraw/zinc/91/16/86/661911686.db2.gz WXWLNCYVUYFAQU-CQSZACIVSA-N 0 3 300.377 3.242 20 10 DGCDHN CCN(CC)C(=O)C1([NH2+]Cc2ccccc2[O-])CCCCC1 ZINC000076868638 662003417 /nfs/dbraw/zinc/00/34/17/662003417.db2.gz NHMADXKTAJSARN-UHFFFAOYSA-N 0 3 304.434 3.053 20 10 DGCDHN COc1ccc(O)c(CNCc2cnc(-c3ccco3)s2)c1 ZINC000193104971 662123102 /nfs/dbraw/zinc/12/31/02/662123102.db2.gz KZMUTIRAYVCTHJ-UHFFFAOYSA-N 0 3 316.382 3.407 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC=CO1 ZINC000193605422 662141850 /nfs/dbraw/zinc/14/18/50/662141850.db2.gz AENZKKSRNXWOJH-DLBZAZTESA-N 0 3 303.402 3.066 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC=CO1 ZINC000193605422 662141851 /nfs/dbraw/zinc/14/18/51/662141851.db2.gz AENZKKSRNXWOJH-DLBZAZTESA-N 0 3 303.402 3.066 20 10 DGCDHN CC1(C)CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000248567618 662353555 /nfs/dbraw/zinc/35/35/55/662353555.db2.gz JSVVYAQRKGQHRZ-IAGOWNOFSA-N 0 3 319.445 3.331 20 10 DGCDHN CC1(C)CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000248567618 662353557 /nfs/dbraw/zinc/35/35/57/662353557.db2.gz JSVVYAQRKGQHRZ-IAGOWNOFSA-N 0 3 319.445 3.331 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)CCCOC(C)C)c1[O-] ZINC000382774025 685164311 /nfs/dbraw/zinc/16/43/11/685164311.db2.gz BJJRZHBKXLJBID-UHFFFAOYSA-N 0 3 301.814 3.301 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCCOC(C)C)c1[O-] ZINC000382774025 685164316 /nfs/dbraw/zinc/16/43/16/685164316.db2.gz BJJRZHBKXLJBID-UHFFFAOYSA-N 0 3 301.814 3.301 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCn2cc(Br)cn2)c([O-])c1 ZINC000382464426 685164441 /nfs/dbraw/zinc/16/44/41/685164441.db2.gz ZHSILMWKCUSJAN-NSHDSACASA-N 0 3 324.222 3.010 20 10 DGCDHN CCN(Cc1cc(C(C)C)ccc1O)C[C@H](O)C(F)(F)F ZINC001659540732 1196393460 /nfs/dbraw/zinc/39/34/60/1196393460.db2.gz IZKJNJDUPVNROU-AWEZNQCLSA-N 0 3 305.340 3.261 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncccc2CN)cc1 ZINC001579673929 1191985455 /nfs/dbraw/zinc/98/54/55/1191985455.db2.gz IJOOHMXYHSFDFJ-UHFFFAOYSA-N 0 3 320.396 3.200 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@@H](CO)CCC(C)(C)C)cc1F ZINC001620914370 1192594424 /nfs/dbraw/zinc/59/44/24/1192594424.db2.gz QQNDZIZQDDIJGC-CYBMUJFWSA-N 0 3 314.420 3.308 20 10 DGCDHN COc1ccc(CN[C@H](C)c2cnc(C)s2)c(O)c1OC ZINC001335549881 1178929593 /nfs/dbraw/zinc/92/95/93/1178929593.db2.gz HCZJGPDWEFTCDB-SECBINFHSA-N 0 3 308.403 3.025 20 10 DGCDHN CC(C)OC(=O)C[C@@H](NCc1ccc(N)cc1)c1ccccc1 ZINC001345159282 1179535679 /nfs/dbraw/zinc/53/56/79/1179535679.db2.gz FCOCRXCDRMUYKR-GOSISDBHSA-N 0 3 312.413 3.441 20 10 DGCDHN CC[C@@](O)(CN[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC001352739371 1180390202 /nfs/dbraw/zinc/39/02/02/1180390202.db2.gz DJBLZDAEECWOKH-SMDDNHRTSA-N 0 3 304.356 3.107 20 10 DGCDHN COc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)c(O)c1OC ZINC001355321786 1181035330 /nfs/dbraw/zinc/03/53/30/1181035330.db2.gz SOTKNTCHENWCIH-MEDUHNTESA-N 0 3 315.369 3.021 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC001462252389 1182928778 /nfs/dbraw/zinc/92/87/78/1182928778.db2.gz VGNKDRVEIKTTEE-SJORKVTESA-N 0 3 305.418 3.099 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC001462252389 1182928783 /nfs/dbraw/zinc/92/87/83/1182928783.db2.gz VGNKDRVEIKTTEE-SJORKVTESA-N 0 3 305.418 3.099 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c([O-])c1 ZINC001462303615 1182936697 /nfs/dbraw/zinc/93/66/97/1182936697.db2.gz HKZDPVNCOLMECU-GOSISDBHSA-N 0 3 308.425 3.338 20 10 DGCDHN Cc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c([O-])c1 ZINC001462303615 1182936700 /nfs/dbraw/zinc/93/67/00/1182936700.db2.gz HKZDPVNCOLMECU-GOSISDBHSA-N 0 3 308.425 3.338 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC(c3c[nH]nc3C)CC2)c([O-])c1 ZINC001474522270 1183935173 /nfs/dbraw/zinc/93/51/73/1183935173.db2.gz KNXBZAYCUHUUEO-UHFFFAOYSA-N 0 3 315.417 3.120 20 10 DGCDHN CC(C)c1ccc(O)c(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC001474541175 1183936923 /nfs/dbraw/zinc/93/69/23/1183936923.db2.gz JYSXVOHLINQHLC-QGZVFWFLSA-N 0 3 303.377 3.478 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c([O-])c1 ZINC001474631083 1183952476 /nfs/dbraw/zinc/95/24/76/1183952476.db2.gz WTJPEHKDOUNBID-BEFAXECRSA-N 0 3 319.445 3.490 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c([O-])c1 ZINC001474631083 1183952479 /nfs/dbraw/zinc/95/24/79/1183952479.db2.gz WTJPEHKDOUNBID-BEFAXECRSA-N 0 3 319.445 3.490 20 10 DGCDHN C[C@@H]1CC[C@@](CO)([NH2+]Cc2cc(F)ccc2[O-])c2ccccc21 ZINC001474757748 1183973997 /nfs/dbraw/zinc/97/39/97/1183973997.db2.gz ZGEULSRFLJPTMP-YJYMSZOUSA-N 0 3 315.388 3.406 20 10 DGCDHN CN(C)c1cc(F)c(CNCC[C@@H](O)C2CCCC2)cc1F ZINC001560565278 1189342263 /nfs/dbraw/zinc/34/22/63/1189342263.db2.gz YNUKQQJDSVGLNI-QGZVFWFLSA-N 0 3 312.404 3.062 20 10 DGCDHN CN(C)c1cc(F)c(CNCC[C@H](O)C2CCCC2)cc1F ZINC001560565277 1189342720 /nfs/dbraw/zinc/34/27/20/1189342720.db2.gz YNUKQQJDSVGLNI-KRWDZBQOSA-N 0 3 312.404 3.062 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cc(C)c[nH]c2=O)cc1F ZINC001560611464 1189348147 /nfs/dbraw/zinc/34/81/47/1189348147.db2.gz YXCXJSDANCPCEF-UHFFFAOYSA-N 0 3 317.408 3.371 20 10 DGCDHN COc1cc(C)c(CN[C@@H]2CCOc3c(F)cccc32)c(O)c1 ZINC001560768390 1189377814 /nfs/dbraw/zinc/37/78/14/1189377814.db2.gz YXQCBERLSORFGN-MRXNPFEDSA-N 0 3 317.360 3.462 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c([O-])c1 ZINC001560794206 1189383220 /nfs/dbraw/zinc/38/32/20/1189383220.db2.gz MSEGMAWCFQOIOR-HNNXBMFYSA-N 0 3 313.397 3.062 20 10 DGCDHN COC(=O)/C=C/c1ccc(CN[C@H](C)c2ccccc2O)o1 ZINC001560971481 1189412242 /nfs/dbraw/zinc/41/22/42/1189412242.db2.gz GRRJMBRWORUZJH-BZYZDCJZSA-N 0 3 301.342 3.022 20 10 DGCDHN CCOCc1cc(CNCc2ccc(C)nc2)ccc1OC ZINC001620725776 1193795459 /nfs/dbraw/zinc/79/54/59/1193795459.db2.gz BPALNUSRABBIDF-UHFFFAOYSA-N 0 3 300.402 3.225 20 10 DGCDHN C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001644183470 1195087276 /nfs/dbraw/zinc/08/72/76/1195087276.db2.gz NBCQUJYIKZPPOM-CYBMUJFWSA-N 0 3 316.357 3.420 20 10 DGCDHN C[C@H]1CC[C@@](CO)(NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC001651685035 1195496817 /nfs/dbraw/zinc/49/68/17/1195496817.db2.gz SYVKSAAPKZUASP-BTYIYWSLSA-N 0 3 323.436 3.496 20 10 DGCDHN CC[NH+](CC)CC[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC001651705782 1195499129 /nfs/dbraw/zinc/49/91/29/1195499129.db2.gz BXUIFSPDBWGAII-NSHDSACASA-N 0 3 302.821 3.395 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c([O-])c1 ZINC001652279231 1195574439 /nfs/dbraw/zinc/57/44/39/1195574439.db2.gz XDKGDYDTIWQANB-IBGZPJMESA-N 0 3 315.413 3.149 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2CCCC(C)(C)O2)cc1F ZINC001657089687 1196103310 /nfs/dbraw/zinc/10/33/10/1196103310.db2.gz PPXNJYLIUIMJHD-CYBMUJFWSA-N 0 3 312.404 3.468 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC001657300650 1196128546 /nfs/dbraw/zinc/12/85/46/1196128546.db2.gz LVZMAISYURGCQT-CQSZACIVSA-N 0 3 308.853 3.414 20 10 DGCDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC001657550441 1196154076 /nfs/dbraw/zinc/15/40/76/1196154076.db2.gz UFYZREJUOGDNQM-UHFFFAOYSA-N 0 3 324.739 3.425 20 10 DGCDHN CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC001658777796 1196299896 /nfs/dbraw/zinc/29/98/96/1196299896.db2.gz IZBMUWBGERSACK-MRCXROJRSA-N 0 3 315.244 3.129 20 10 DGCDHN COc1ccc(O)c(CN[C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC001658788561 1196301486 /nfs/dbraw/zinc/30/14/86/1196301486.db2.gz RDYJHCZPBSQPHQ-SFHVURJKSA-N 0 3 323.396 3.128 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3nccs3)C2)c([O-])c1 ZINC001658797051 1196302803 /nfs/dbraw/zinc/30/28/03/1196302803.db2.gz IRMVSBNHVRUZLV-LBPRGKRZSA-N 0 3 304.415 3.155 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@H](c3nccs3)C2)c([O-])c1 ZINC001658797051 1196302806 /nfs/dbraw/zinc/30/28/06/1196302806.db2.gz IRMVSBNHVRUZLV-LBPRGKRZSA-N 0 3 304.415 3.155 20 10 DGCDHN COCC[N@H+](Cc1c(C)cc(OC)cc1[O-])[C@@H]1CC[C@H](C)C1 ZINC001659643910 1196402105 /nfs/dbraw/zinc/40/21/05/1196402105.db2.gz MHZOANUDCPFCNC-DZGCQCFKSA-N 0 3 307.434 3.346 20 10 DGCDHN COCC[N@@H+](Cc1c(C)cc(OC)cc1[O-])[C@@H]1CC[C@H](C)C1 ZINC001659643910 1196402106 /nfs/dbraw/zinc/40/21/06/1196402106.db2.gz MHZOANUDCPFCNC-DZGCQCFKSA-N 0 3 307.434 3.346 20 10 DGCDHN CCC[N@H+](C)CC(C)(C)NCc1c([O-])ccc(Cl)c1F ZINC001662931597 1196773450 /nfs/dbraw/zinc/77/34/50/1196773450.db2.gz DVNZOSZPYRORFQ-UHFFFAOYSA-N 0 3 302.821 3.395 20 10 DGCDHN CCC[N@@H+](C)CC(C)(C)NCc1c([O-])ccc(Cl)c1F ZINC001662931597 1196773454 /nfs/dbraw/zinc/77/34/54/1196773454.db2.gz DVNZOSZPYRORFQ-UHFFFAOYSA-N 0 3 302.821 3.395 20 10 DGCDHN CCCN(C)CC(C)(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001662931597 1196773458 /nfs/dbraw/zinc/77/34/58/1196773458.db2.gz DVNZOSZPYRORFQ-UHFFFAOYSA-N 0 3 302.821 3.395 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cccn2C)c([O-])c1 ZINC001664123142 1196972411 /nfs/dbraw/zinc/97/24/11/1196972411.db2.gz UIZKIUSSSCIMNZ-KRWDZBQOSA-N 0 3 300.402 3.385 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2c2cccn2C)c([O-])c1 ZINC001664123142 1196972414 /nfs/dbraw/zinc/97/24/14/1196972414.db2.gz UIZKIUSSSCIMNZ-KRWDZBQOSA-N 0 3 300.402 3.385 20 10 DGCDHN CN(C)c1cc(F)c(CNCC2(C3(O)CCC3)CCC2)cc1F ZINC001665645925 1197164481 /nfs/dbraw/zinc/16/44/81/1197164481.db2.gz WISZRNPXXQUFIC-UHFFFAOYSA-N 0 3 324.415 3.206 20 10 DGCDHN COC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccc(F)cc1 ZINC001665890810 1197211985 /nfs/dbraw/zinc/21/19/85/1197211985.db2.gz OOAOLCHQKOFOIB-MRXNPFEDSA-N 0 3 319.376 3.326 20 10 DGCDHN CCCC[C@@H](CC)COC[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000318300618 1199830416 /nfs/dbraw/zinc/83/04/16/1199830416.db2.gz NOUPBPAQTZNHIC-NVXWUHKLSA-N 0 3 309.450 3.076 20 10 DGCDHN CCC(C)(C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001699661283 1202020981 /nfs/dbraw/zinc/02/09/81/1202020981.db2.gz LEXCVFVCULUCHM-UHFFFAOYSA-N 0 3 318.461 3.178 20 10 DGCDHN COc1cccc(C2CC([NH2+]Cc3ccc(OC)cc3[O-])C2)c1 ZINC001181196766 1083427153 /nfs/dbraw/zinc/42/71/53/1083427153.db2.gz XYZHIDAVDAASFH-UHFFFAOYSA-N 0 3 313.397 3.445 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c([O-])c1 ZINC001182917828 1083841375 /nfs/dbraw/zinc/84/13/75/1083841375.db2.gz CMLQHPIWLKXAQU-IBGZPJMESA-N 0 3 319.445 3.490 20 10 DGCDHN CC(C)(C)OC(=O)N1CCC[NH+](Cc2ccccc2[O-])CCC1 ZINC001203560880 1083896747 /nfs/dbraw/zinc/89/67/47/1083896747.db2.gz ITTUVGIWQJXVIE-UHFFFAOYSA-N 0 3 320.433 3.225 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC001203648810 1084713522 /nfs/dbraw/zinc/71/35/22/1084713522.db2.gz VORDULSYVGLZRX-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001203657134 1084778625 /nfs/dbraw/zinc/77/86/25/1084778625.db2.gz FVJSDYYRZANNMO-MRXNPFEDSA-N 0 3 308.853 3.496 20 10 DGCDHN Cc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c([O-])c1 ZINC001658751743 1126262924 /nfs/dbraw/zinc/26/29/24/1126262924.db2.gz NOIFORLNDQQXGY-GOSISDBHSA-N 0 3 319.832 3.437 20 10 DGCDHN CCN(Cc1ccccc1O)c1ncccc1CN1CCCC1 ZINC001154890971 1088812484 /nfs/dbraw/zinc/81/24/84/1088812484.db2.gz YKROSEAQDBPKKB-UHFFFAOYSA-N 0 3 311.429 3.410 20 10 DGCDHN CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550394 1090752957 /nfs/dbraw/zinc/75/29/57/1090752957.db2.gz UXDBSNGRSSJUNN-GOSISDBHSA-N 0 3 320.433 3.271 20 10 DGCDHN CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550394 1090752959 /nfs/dbraw/zinc/75/29/59/1090752959.db2.gz UXDBSNGRSSJUNN-GOSISDBHSA-N 0 3 320.433 3.271 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001203552764 1090754740 /nfs/dbraw/zinc/75/47/40/1090754740.db2.gz SHXUWCDBDLWUKA-UHFFFAOYSA-N 0 3 321.380 3.043 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001203552764 1090754743 /nfs/dbraw/zinc/75/47/43/1090754743.db2.gz SHXUWCDBDLWUKA-UHFFFAOYSA-N 0 3 321.380 3.043 20 10 DGCDHN COc1cccc(C[N@H+](C2CCCC2)C2CCN(C)CC2)c1[O-] ZINC001203601644 1090765681 /nfs/dbraw/zinc/76/56/81/1090765681.db2.gz FBOJRZPPGPUFGE-UHFFFAOYSA-N 0 3 318.461 3.240 20 10 DGCDHN COc1cccc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)c1[O-] ZINC001203601644 1090765687 /nfs/dbraw/zinc/76/56/87/1090765687.db2.gz FBOJRZPPGPUFGE-UHFFFAOYSA-N 0 3 318.461 3.240 20 10 DGCDHN CC1(F)CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC001203636257 1090770995 /nfs/dbraw/zinc/77/09/95/1090770995.db2.gz RJFUDZDSBVEFNS-UHFFFAOYSA-N 0 3 302.187 3.479 20 10 DGCDHN Oc1ccc(CN2CCC(COc3ccccc3)CC2)cc1O ZINC001203878320 1090825041 /nfs/dbraw/zinc/82/50/41/1090825041.db2.gz DGKNROOCBPYTIY-UHFFFAOYSA-N 0 3 313.397 3.389 20 10 DGCDHN Oc1ccc(CN2CCC(n3ncc4ccccc43)CC2)cc1O ZINC001203880798 1090826560 /nfs/dbraw/zinc/82/65/60/1090826560.db2.gz ZZCYXZSYBAKCMY-UHFFFAOYSA-N 0 3 323.396 3.285 20 10 DGCDHN COC(=O)c1ccc(C2CN(Cc3ccc(N(C)C)cc3)C2)cc1 ZINC001203937589 1090843887 /nfs/dbraw/zinc/84/38/87/1090843887.db2.gz YSTNQDWIGHTWOR-UHFFFAOYSA-N 0 3 324.424 3.139 20 10 DGCDHN Oc1ccc(CN2CCSC[C@H]2c2ccccc2)c(O)c1 ZINC001204279090 1090939632 /nfs/dbraw/zinc/93/96/32/1090939632.db2.gz QGDXWXCNTGPFOL-INIZCTEOSA-N 0 3 301.411 3.388 20 10 DGCDHN CC[C@H](C)[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC001205101412 1091101954 /nfs/dbraw/zinc/10/19/54/1091101954.db2.gz SBSKIDZNEJTXHK-IEZWGBDMSA-N 0 3 321.461 3.434 20 10 DGCDHN CC[C@H](C)[C@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC001205101412 1091101956 /nfs/dbraw/zinc/10/19/56/1091101956.db2.gz SBSKIDZNEJTXHK-IEZWGBDMSA-N 0 3 321.461 3.434 20 10 DGCDHN C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC001205317341 1091182625 /nfs/dbraw/zinc/18/26/25/1091182625.db2.gz OCKDREFKXYTYBG-ZJUUUORDSA-N 0 3 303.233 3.116 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC001205491676 1091235719 /nfs/dbraw/zinc/23/57/19/1091235719.db2.gz BMEAKLKPEURWHY-LJQANCHMSA-N 0 3 315.413 3.097 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC001205699812 1091316259 /nfs/dbraw/zinc/31/62/59/1091316259.db2.gz KZXZIJXJODJVQH-JKSUJKDBSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC001205699812 1091316266 /nfs/dbraw/zinc/31/62/66/1091316266.db2.gz KZXZIJXJODJVQH-JKSUJKDBSA-N 0 3 319.445 3.348 20 10 DGCDHN N[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CC[C@@H]1F ZINC001206201818 1091532594 /nfs/dbraw/zinc/53/25/94/1091532594.db2.gz YZWAOVUGQYUFLD-ROUUACIJSA-N 0 3 314.404 3.320 20 10 DGCDHN N[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CC[C@@H]1F ZINC001206201818 1091532599 /nfs/dbraw/zinc/53/25/99/1091532599.db2.gz YZWAOVUGQYUFLD-ROUUACIJSA-N 0 3 314.404 3.320 20 10 DGCDHN COc1cccc(CN(C)Cc2cc(C)ccc2O)c1OC ZINC001140623124 1091935515 /nfs/dbraw/zinc/93/55/15/1091935515.db2.gz GQYQGVBBNIJRMY-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1ccccc1N1CCN(Cc2ccc(C)cc2O)CC1 ZINC001140948432 1092074338 /nfs/dbraw/zinc/07/43/38/1092074338.db2.gz HCEUCJQRILZKHM-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c([O-])c1 ZINC001140957492 1092080747 /nfs/dbraw/zinc/08/07/47/1092080747.db2.gz BGELZNNPKXVNQE-OAHLLOKOSA-N 0 3 305.418 3.397 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c([O-])c1 ZINC001140957492 1092080753 /nfs/dbraw/zinc/08/07/53/1092080753.db2.gz BGELZNNPKXVNQE-OAHLLOKOSA-N 0 3 305.418 3.397 20 10 DGCDHN Cc1ccc(CN2CCN(c3ccc(F)cc3C)CC2)c(O)c1 ZINC001140958165 1092082827 /nfs/dbraw/zinc/08/28/27/1092082827.db2.gz SYZACTMKWFUFQB-UHFFFAOYSA-N 0 3 314.404 3.470 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCc2ccccc2F)c(OC)c1 ZINC001141030714 1092112856 /nfs/dbraw/zinc/11/28/56/1092112856.db2.gz HZAQDUIGBIFPTN-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccccc2F)c(OC)c1 ZINC001141030714 1092112860 /nfs/dbraw/zinc/11/28/60/1092112860.db2.gz HZAQDUIGBIFPTN-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc3c(c2)OCCN3C)cc1 ZINC001141142563 1092148885 /nfs/dbraw/zinc/14/88/85/1092148885.db2.gz RXFJDWVKDBBJPL-UHFFFAOYSA-N 0 3 312.413 3.156 20 10 DGCDHN CN1CCOc2cc(CN3CC[C@@H](Oc4ccccc4)C3)ccc21 ZINC001141143150 1092148969 /nfs/dbraw/zinc/14/89/69/1092148969.db2.gz PBEUCEGWPKQVCX-GOSISDBHSA-N 0 3 324.424 3.169 20 10 DGCDHN CCN(Cc1cc(O)c(OC)c(OC)c1)Cc1ccccc1O ZINC001141173429 1092160851 /nfs/dbraw/zinc/16/08/51/1092160851.db2.gz AXIFXFWQLAIBRU-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001168871120 1092406475 /nfs/dbraw/zinc/40/64/75/1092406475.db2.gz GZGNTRLWAWAXRD-DZGCQCFKSA-N 0 3 320.433 3.222 20 10 DGCDHN C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001168871120 1092406480 /nfs/dbraw/zinc/40/64/80/1092406480.db2.gz GZGNTRLWAWAXRD-DZGCQCFKSA-N 0 3 320.433 3.222 20 10 DGCDHN COc1ccc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)c([O-])c1 ZINC000179950456 1093824543 /nfs/dbraw/zinc/82/45/43/1093824543.db2.gz KTELWYBTHRWHSV-AWEZNQCLSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)c([O-])c1 ZINC000179950456 1093824546 /nfs/dbraw/zinc/82/45/46/1093824546.db2.gz KTELWYBTHRWHSV-AWEZNQCLSA-N 0 3 315.413 3.472 20 10 DGCDHN Nc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC001120268421 1094398014 /nfs/dbraw/zinc/39/80/14/1094398014.db2.gz DTWDCULZNIZZBW-GOSISDBHSA-N 0 3 312.413 3.156 20 10 DGCDHN Nc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC001120268421 1094398018 /nfs/dbraw/zinc/39/80/18/1094398018.db2.gz DTWDCULZNIZZBW-GOSISDBHSA-N 0 3 312.413 3.156 20 10 DGCDHN CN(C)c1ccc(/C=C/c2ccc(NC(=O)C3(N)CC3)cc2)cc1 ZINC001219203884 1094951318 /nfs/dbraw/zinc/95/13/18/1094951318.db2.gz PNPYEVQCUOJQFY-ONEGZZNKSA-N 0 3 321.424 3.353 20 10 DGCDHN [O-]c1ccc(F)c(F)c1CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222171413 1095476396 /nfs/dbraw/zinc/47/63/96/1095476396.db2.gz BJJNKZJTYJDEGE-GOSISDBHSA-N 0 3 324.415 3.416 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2n[nH]c3ccc(F)cc32)cc1 ZINC001144200853 1095553521 /nfs/dbraw/zinc/55/35/21/1095553521.db2.gz NLSYDHBZMPBJKI-UHFFFAOYSA-N 0 3 312.392 3.400 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222355713 1095569739 /nfs/dbraw/zinc/56/97/39/1095569739.db2.gz UDLVMWFWAVQZBO-HNNXBMFYSA-N 0 3 314.351 3.129 20 10 DGCDHN CC[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccccc1[O-] ZINC001116674229 1095630595 /nfs/dbraw/zinc/63/05/95/1095630595.db2.gz WDYFKAUSHVDCAP-HOCLYGCPSA-N 0 3 304.434 3.082 20 10 DGCDHN CCOc1ccc(N2CCN(CCSC(C)C)CC2)cc1 ZINC001117135589 1095718299 /nfs/dbraw/zinc/71/82/99/1095718299.db2.gz QONIRUCNDVDMQY-UHFFFAOYSA-N 0 3 308.491 3.349 20 10 DGCDHN Oc1cccc2c1CN(Cc1c[nH]nc1-c1cccs1)CC2 ZINC001138157308 1095909053 /nfs/dbraw/zinc/90/90/53/1095909053.db2.gz AYGVHJCZYOSXAC-UHFFFAOYSA-N 0 3 311.410 3.402 20 10 DGCDHN Cc1cccc([C@H](O)CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC001118853166 1096091979 /nfs/dbraw/zinc/09/19/79/1096091979.db2.gz YABQYMLHUPILIG-GOSISDBHSA-N 0 3 320.383 3.162 20 10 DGCDHN COc1ccc(N2CCN([C@@H](C)CCOC(C)C)CC2)c(C)c1 ZINC001172453944 1097158800 /nfs/dbraw/zinc/15/88/00/1097158800.db2.gz HSZYWTOYKMONPD-KRWDZBQOSA-N 0 3 320.477 3.329 20 10 DGCDHN COc1ccc(N2CCN([C@H](C)CCOC(C)C)CC2)c(C)c1 ZINC001172453945 1097158923 /nfs/dbraw/zinc/15/89/23/1097158923.db2.gz HSZYWTOYKMONPD-QGZVFWFLSA-N 0 3 320.477 3.329 20 10 DGCDHN COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001172797520 1097253457 /nfs/dbraw/zinc/25/34/57/1097253457.db2.gz IDLDQVIEIHDTCH-CABCVRRESA-N 0 3 305.418 3.221 20 10 DGCDHN CCSC[C@@H](C)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001173316845 1097427557 /nfs/dbraw/zinc/42/75/57/1097427557.db2.gz ZETRTXUNDMBDIF-OAHLLOKOSA-N 0 3 308.491 3.267 20 10 DGCDHN COc1cc(Br)c(O)c(Nc2ccncc2C)c1 ZINC001174539689 1097749327 /nfs/dbraw/zinc/74/93/27/1097749327.db2.gz PUADCKGQFFQJSL-UHFFFAOYSA-N 0 3 309.163 3.032 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001231587791 1097785412 /nfs/dbraw/zinc/78/54/12/1097785412.db2.gz ZCNBPELOBIDFPA-ZBFHGGJFSA-N 0 3 305.324 3.011 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001231587791 1097785415 /nfs/dbraw/zinc/78/54/15/1097785415.db2.gz ZCNBPELOBIDFPA-ZBFHGGJFSA-N 0 3 305.324 3.011 20 10 DGCDHN Clc1cc(CN2C3CCC2CC3)ccc1N1CCOCC1 ZINC001232202934 1097964088 /nfs/dbraw/zinc/96/40/88/1097964088.db2.gz IQLRXTFAUBKNHT-UHFFFAOYSA-N 0 3 306.837 3.303 20 10 DGCDHN COc1ccc(N2CCN(CCC=C(C)C)CC2)c(OC)c1 ZINC001175522745 1098081601 /nfs/dbraw/zinc/08/16/01/1098081601.db2.gz LOEVTICFAZWLDC-UHFFFAOYSA-N 0 3 304.434 3.182 20 10 DGCDHN COc1cc(CN(C)Cc2ccccc2O)c(OC)cc1C ZINC001232835614 1098148270 /nfs/dbraw/zinc/14/82/70/1098148270.db2.gz GBDFSIKZZGRYCB-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN CCN(Cc1ccc(OC(F)F)nc1)Cc1ccccc1O ZINC001232957460 1098182840 /nfs/dbraw/zinc/18/28/40/1098182840.db2.gz LVZBCKGYROCABF-UHFFFAOYSA-N 0 3 308.328 3.411 20 10 DGCDHN Oc1cc(CN2CCC[C@@H](Cc3ccccc3)C2)cc(O)c1O ZINC001233012074 1098204108 /nfs/dbraw/zinc/20/41/08/1098204108.db2.gz IUOTVEZUJJRIEF-HNNXBMFYSA-N 0 3 313.397 3.258 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2c[nH]c(Br)c2)cc1 ZINC001233438662 1098332742 /nfs/dbraw/zinc/33/27/42/1098332742.db2.gz ZMCVOZJYYDZCDM-UHFFFAOYSA-N 0 3 322.250 3.475 20 10 DGCDHN CC1(C)C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCCO1 ZINC001233761098 1098424967 /nfs/dbraw/zinc/42/49/67/1098424967.db2.gz PTVZBGMSQRSTHD-UHFFFAOYSA-N 0 3 319.323 3.292 20 10 DGCDHN CC1(C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCCO1 ZINC001233761098 1098424968 /nfs/dbraw/zinc/42/49/68/1098424968.db2.gz PTVZBGMSQRSTHD-UHFFFAOYSA-N 0 3 319.323 3.292 20 10 DGCDHN CCN1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC001234519355 1098577796 /nfs/dbraw/zinc/57/77/96/1098577796.db2.gz VUJUDLBVQUGXNA-UHFFFAOYSA-N 0 3 314.429 3.082 20 10 DGCDHN CCN1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC001234519355 1098577805 /nfs/dbraw/zinc/57/78/05/1098577805.db2.gz VUJUDLBVQUGXNA-UHFFFAOYSA-N 0 3 314.429 3.082 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4OCC[C@H]4C3)c2c1 ZINC001234562075 1098600366 /nfs/dbraw/zinc/60/03/66/1098600366.db2.gz GIGWESMNQXTRSY-LIRRHRJNSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4OCC[C@H]4C3)c2c1 ZINC001234562075 1098600370 /nfs/dbraw/zinc/60/03/70/1098600370.db2.gz GIGWESMNQXTRSY-LIRRHRJNSA-N 0 3 313.397 3.165 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H](C)C(F)(F)F)cc2)CC1 ZINC001234658263 1098634457 /nfs/dbraw/zinc/63/44/57/1098634457.db2.gz YVJFNIANYQKANP-LBPRGKRZSA-N 0 3 302.340 3.158 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H]3CCc4cccnc43)cc2)CC1 ZINC001234658167 1098634542 /nfs/dbraw/zinc/63/45/42/1098634542.db2.gz WEAKVXMHFGJCIE-IBGZPJMESA-N 0 3 323.440 3.290 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H](C)c3ccncc3)cc2)CC1 ZINC001234657572 1098635070 /nfs/dbraw/zinc/63/50/70/1098635070.db2.gz FECBOXMGEPPFIW-MRXNPFEDSA-N 0 3 311.429 3.364 20 10 DGCDHN CC(C)[C@@H]1CNCC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235457935 1099047227 /nfs/dbraw/zinc/04/72/27/1099047227.db2.gz JFWUPMGWUBHUCM-IBGZPJMESA-N 0 3 310.441 3.489 20 10 DGCDHN CC(C)[C@@H]1CNCC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235457935 1099047238 /nfs/dbraw/zinc/04/72/38/1099047238.db2.gz JFWUPMGWUBHUCM-IBGZPJMESA-N 0 3 310.441 3.489 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cncc(OC)c1C ZINC001235473752 1099055740 /nfs/dbraw/zinc/05/57/40/1099055740.db2.gz LFDSACNBTVJRSN-UHFFFAOYSA-N 0 3 313.445 3.487 20 10 DGCDHN Cc1noc([C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C2)n1 ZINC001235677745 1099120509 /nfs/dbraw/zinc/12/05/09/1099120509.db2.gz GZCHRJLDDXZJFN-AWEZNQCLSA-N 0 3 315.417 3.371 20 10 DGCDHN Cc1noc([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C2)n1 ZINC001235677745 1099120513 /nfs/dbraw/zinc/12/05/13/1099120513.db2.gz GZCHRJLDDXZJFN-AWEZNQCLSA-N 0 3 315.417 3.371 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235678458 1099122706 /nfs/dbraw/zinc/12/27/06/1099122706.db2.gz BPXSAVZGAYYJMZ-CQSZACIVSA-N 0 3 319.445 3.465 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235678458 1099122712 /nfs/dbraw/zinc/12/27/12/1099122712.db2.gz BPXSAVZGAYYJMZ-CQSZACIVSA-N 0 3 319.445 3.465 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c([O-])c1 ZINC001235682493 1099126731 /nfs/dbraw/zinc/12/67/31/1099126731.db2.gz XMNIEGOBWZXDGA-XJKSGUPXSA-N 0 3 301.430 3.491 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c([O-])c1 ZINC001235682493 1099126737 /nfs/dbraw/zinc/12/67/37/1099126737.db2.gz XMNIEGOBWZXDGA-XJKSGUPXSA-N 0 3 301.430 3.491 20 10 DGCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC12CC2 ZINC001235682482 1099127058 /nfs/dbraw/zinc/12/70/58/1099127058.db2.gz XEZMQMBRVOQVHS-HNNXBMFYSA-N 0 3 317.429 3.075 20 10 DGCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC12CC2 ZINC001235682482 1099127063 /nfs/dbraw/zinc/12/70/63/1099127063.db2.gz XEZMQMBRVOQVHS-HNNXBMFYSA-N 0 3 317.429 3.075 20 10 DGCDHN [O-]c1cccc(F)c1C[N@@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235789096 1099180720 /nfs/dbraw/zinc/18/07/20/1099180720.db2.gz CFRZQFOFOOQFCW-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN [O-]c1cccc(F)c1C[N@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235789096 1099180724 /nfs/dbraw/zinc/18/07/24/1099180724.db2.gz CFRZQFOFOOQFCW-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN [O-]c1ccc(F)cc1CN1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001235815869 1099194143 /nfs/dbraw/zinc/19/41/43/1099194143.db2.gz PMTBSGOOZSFJDE-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN [O-]c1cc(Cl)c(Cl)cc1CN1CC2(C1)CCC[NH2+]CC2 ZINC001236010183 1099332246 /nfs/dbraw/zinc/33/22/46/1099332246.db2.gz RXNXVWGAZIMSCG-UHFFFAOYSA-N 0 3 315.244 3.275 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC001236125670 1099412818 /nfs/dbraw/zinc/41/28/18/1099412818.db2.gz NDUOHHJKLNSQNJ-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN CCC[N@H+](Cc1cccc(C(F)(F)F)c1[O-])C1CCNCC1 ZINC001236185164 1099455176 /nfs/dbraw/zinc/45/51/76/1099455176.db2.gz YTBJADFAKRZHHN-UHFFFAOYSA-N 0 3 316.367 3.375 20 10 DGCDHN CCC[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C1CCNCC1 ZINC001236185164 1099455183 /nfs/dbraw/zinc/45/51/83/1099455183.db2.gz YTBJADFAKRZHHN-UHFFFAOYSA-N 0 3 316.367 3.375 20 10 DGCDHN CC(C)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCNC1 ZINC001236473948 1099631936 /nfs/dbraw/zinc/63/19/36/1099631936.db2.gz JFTLHIBUMKWSAM-CQSZACIVSA-N 0 3 314.832 3.395 20 10 DGCDHN CC(C)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCNC1 ZINC001236473948 1099631940 /nfs/dbraw/zinc/63/19/40/1099631940.db2.gz JFTLHIBUMKWSAM-CQSZACIVSA-N 0 3 314.832 3.395 20 10 DGCDHN C[N@H+](CCC1CC1)Cc1cc(O)c(Br)cc1[O-] ZINC001236763253 1099773305 /nfs/dbraw/zinc/77/33/05/1099773305.db2.gz XMBLIWQKGBYJRU-UHFFFAOYSA-N 0 3 300.196 3.092 20 10 DGCDHN C[N@@H+](CCC1CC1)Cc1cc(O)c(Br)cc1[O-] ZINC001236763253 1099773313 /nfs/dbraw/zinc/77/33/13/1099773313.db2.gz XMBLIWQKGBYJRU-UHFFFAOYSA-N 0 3 300.196 3.092 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001236791734 1099787865 /nfs/dbraw/zinc/78/78/65/1099787865.db2.gz JDHVJEWHHFWVRU-OAHLLOKOSA-N 0 3 301.390 3.026 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001236791734 1099787872 /nfs/dbraw/zinc/78/78/72/1099787872.db2.gz JDHVJEWHHFWVRU-OAHLLOKOSA-N 0 3 301.390 3.026 20 10 DGCDHN CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236791746 1099788688 /nfs/dbraw/zinc/78/86/88/1099788688.db2.gz JSOLBWOVWDUNCJ-GOSISDBHSA-N 0 3 305.418 3.120 20 10 DGCDHN CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236791746 1099788696 /nfs/dbraw/zinc/78/86/96/1099788696.db2.gz JSOLBWOVWDUNCJ-GOSISDBHSA-N 0 3 305.418 3.120 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1c(C)cc(OC)cc1O ZINC001236821951 1099806284 /nfs/dbraw/zinc/80/62/84/1099806284.db2.gz WYZVBFOXRNHKQA-UHFFFAOYSA-N 0 3 301.386 3.437 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1c(C)cc(OC)cc1O ZINC001236821951 1099806293 /nfs/dbraw/zinc/80/62/93/1099806293.db2.gz WYZVBFOXRNHKQA-UHFFFAOYSA-N 0 3 301.386 3.437 20 10 DGCDHN COC(=O)c1cccc([C@@H]2CCCN2Cc2ccc(N)cc2)c1 ZINC001236848119 1099831437 /nfs/dbraw/zinc/83/14/37/1099831437.db2.gz MVEKBSXXGGRUJV-SFHVURJKSA-N 0 3 310.397 3.393 20 10 DGCDHN CN(CCC1CC1)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920868 1099879140 /nfs/dbraw/zinc/87/91/40/1099879140.db2.gz ZWKXHQVNDXPHQI-UHFFFAOYSA-N 0 3 308.853 3.409 20 10 DGCDHN CC(C)(C)c1ccc(CN2CCNC[C@H]2C(F)(F)F)c(O)c1 ZINC001236980688 1099900451 /nfs/dbraw/zinc/90/04/51/1099900451.db2.gz KABXGPKUCZMWKQ-AWEZNQCLSA-N 0 3 316.367 3.026 20 10 DGCDHN CC(C)(C)c1ccc(CN2CCNC[C@@H]2C(F)(F)F)c(O)c1 ZINC001236980691 1099901037 /nfs/dbraw/zinc/90/10/37/1099901037.db2.gz KABXGPKUCZMWKQ-CQSZACIVSA-N 0 3 316.367 3.026 20 10 DGCDHN COC(=O)C1(C)CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237053985 1099946724 /nfs/dbraw/zinc/94/67/24/1099946724.db2.gz SEJVDPAZGAAQNB-UHFFFAOYSA-N 0 3 305.418 3.291 20 10 DGCDHN CC(C)[N@H+](Cc1c([O-])ccc(F)c1Cl)C1CCN(C)CC1 ZINC001237128027 1099984649 /nfs/dbraw/zinc/98/46/49/1099984649.db2.gz LKMVRWDYZQCCER-UHFFFAOYSA-N 0 3 314.832 3.489 20 10 DGCDHN CC(C)[N@@H+](Cc1c([O-])ccc(F)c1Cl)C1CCN(C)CC1 ZINC001237128027 1099984659 /nfs/dbraw/zinc/98/46/59/1099984659.db2.gz LKMVRWDYZQCCER-UHFFFAOYSA-N 0 3 314.832 3.489 20 10 DGCDHN CCCO[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138442 1099989322 /nfs/dbraw/zinc/98/93/22/1099989322.db2.gz DAOKADJDKWICHB-CYBMUJFWSA-N 0 3 303.324 3.412 20 10 DGCDHN CC(C)O[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237143754 1099993605 /nfs/dbraw/zinc/99/36/05/1099993605.db2.gz NUFIAAGMJIZLNX-CYBMUJFWSA-N 0 3 303.324 3.410 20 10 DGCDHN CC(C)O[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237143754 1099993614 /nfs/dbraw/zinc/99/36/14/1099993614.db2.gz NUFIAAGMJIZLNX-CYBMUJFWSA-N 0 3 303.324 3.410 20 10 DGCDHN CC(C)O[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237143754 1099993624 /nfs/dbraw/zinc/99/36/24/1099993624.db2.gz NUFIAAGMJIZLNX-CYBMUJFWSA-N 0 3 303.324 3.410 20 10 DGCDHN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237146587 1099996790 /nfs/dbraw/zinc/99/67/90/1099996790.db2.gz VEKZOYDBEPQGQB-ZDUSSCGKSA-N 0 3 303.324 3.146 20 10 DGCDHN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237146587 1099996796 /nfs/dbraw/zinc/99/67/96/1099996796.db2.gz VEKZOYDBEPQGQB-ZDUSSCGKSA-N 0 3 303.324 3.146 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC001237494451 1100144899 /nfs/dbraw/zinc/14/48/99/1100144899.db2.gz IVUCOADPOABYAA-LSDHHAIUSA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC001237494451 1100144904 /nfs/dbraw/zinc/14/49/04/1100144904.db2.gz IVUCOADPOABYAA-LSDHHAIUSA-N 0 3 305.418 3.112 20 10 DGCDHN C[C@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237642080 1100199001 /nfs/dbraw/zinc/19/90/01/1100199001.db2.gz YXOIDDZMKXNVBA-IBGZPJMESA-N 0 3 315.388 3.403 20 10 DGCDHN C[C@]1(CO)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237642080 1100199007 /nfs/dbraw/zinc/19/90/07/1100199007.db2.gz YXOIDDZMKXNVBA-IBGZPJMESA-N 0 3 315.388 3.403 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1[O-] ZINC001237681266 1100213131 /nfs/dbraw/zinc/21/31/31/1100213131.db2.gz MEIZYYHGZHFWSG-HNNXBMFYSA-N 0 3 301.789 3.041 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(CF)CC2)c1[O-] ZINC001237681266 1100213137 /nfs/dbraw/zinc/21/31/37/1100213137.db2.gz MEIZYYHGZHFWSG-HNNXBMFYSA-N 0 3 301.789 3.041 20 10 DGCDHN COc1cc(CN2CCc3cc(C)ccc3C2)c(O)c(OC)c1 ZINC001237684806 1100215369 /nfs/dbraw/zinc/21/53/69/1100215369.db2.gz RWQNVWUOJXDCQE-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN Oc1cccc2c1CN(Cc1cccc(-c3ccccn3)n1)CC2 ZINC001237839396 1100265687 /nfs/dbraw/zinc/26/56/87/1100265687.db2.gz YSNOOJHESHPKSZ-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(F)cc(C)c1[O-])C2 ZINC001238061504 1100346117 /nfs/dbraw/zinc/34/61/17/1100346117.db2.gz NORGTPMQLMGGQP-QAPCUYQASA-N 0 3 307.409 3.478 20 10 DGCDHN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)cc(C)c1[O-])C2 ZINC001238061504 1100346127 /nfs/dbraw/zinc/34/61/27/1100346127.db2.gz NORGTPMQLMGGQP-QAPCUYQASA-N 0 3 307.409 3.478 20 10 DGCDHN Cc1cc(F)cc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1[O-] ZINC001238066779 1100348221 /nfs/dbraw/zinc/34/82/21/1100348221.db2.gz PZYIPFJKWVPUHB-MRXNPFEDSA-N 0 3 301.361 3.275 20 10 DGCDHN Cc1cc(F)cc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1[O-] ZINC001238066779 1100348233 /nfs/dbraw/zinc/34/82/33/1100348233.db2.gz PZYIPFJKWVPUHB-MRXNPFEDSA-N 0 3 301.361 3.275 20 10 DGCDHN CC(=O)N(C(C)C)C1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238067893 1100348639 /nfs/dbraw/zinc/34/86/39/1100348639.db2.gz RKUFPOHDAUZMQN-UHFFFAOYSA-N 0 3 322.424 3.061 20 10 DGCDHN CCCCCCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC001201756345 1102716689 /nfs/dbraw/zinc/71/66/89/1102716689.db2.gz KGAKUONVIRRRKV-UHFFFAOYSA-N 0 3 306.450 3.406 20 10 DGCDHN CC[C@@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1ccc(C)cc1[O-] ZINC001326872627 1103466565 /nfs/dbraw/zinc/46/65/65/1103466565.db2.gz ANHFMOXYEUAQSB-OAHLLOKOSA-N 0 3 301.390 3.054 20 10 DGCDHN CN1CC2(C1)CCC[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C2 ZINC001276286790 1105077285 /nfs/dbraw/zinc/07/72/85/1105077285.db2.gz DZRPHBKVBQUFKP-UHFFFAOYSA-N 0 3 302.462 3.217 20 10 DGCDHN CN1CC2(C1)CCC[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C2 ZINC001276286790 1105077293 /nfs/dbraw/zinc/07/72/93/1105077293.db2.gz DZRPHBKVBQUFKP-UHFFFAOYSA-N 0 3 302.462 3.217 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)c([O-])c1 ZINC001249217080 1105248322 /nfs/dbraw/zinc/24/83/22/1105248322.db2.gz LWTWJXWSAFYPGZ-SAZUREKKSA-N 0 3 305.418 3.118 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c([O-])c1 ZINC001249217080 1105248326 /nfs/dbraw/zinc/24/83/26/1105248326.db2.gz LWTWJXWSAFYPGZ-SAZUREKKSA-N 0 3 305.418 3.118 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CCCO1 ZINC001249223776 1105249371 /nfs/dbraw/zinc/24/93/71/1105249371.db2.gz MFOXSMTZTODPOF-CYBMUJFWSA-N 0 3 303.402 3.187 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CCCO1 ZINC001249223776 1105249373 /nfs/dbraw/zinc/24/93/73/1105249373.db2.gz MFOXSMTZTODPOF-CYBMUJFWSA-N 0 3 303.402 3.187 20 10 DGCDHN CO[C@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223659 1105249851 /nfs/dbraw/zinc/24/98/51/1105249851.db2.gz LOTGXJWGNJNURQ-AWEZNQCLSA-N 0 3 303.402 3.187 20 10 DGCDHN CO[C@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223659 1105249855 /nfs/dbraw/zinc/24/98/55/1105249855.db2.gz LOTGXJWGNJNURQ-AWEZNQCLSA-N 0 3 303.402 3.187 20 10 DGCDHN COC1CC[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249224023 1105250072 /nfs/dbraw/zinc/25/00/72/1105250072.db2.gz RCJQJDZTMLYCPJ-UHFFFAOYSA-N 0 3 303.402 3.187 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@H]1O ZINC001249223837 1105250085 /nfs/dbraw/zinc/25/00/85/1105250085.db2.gz OLSZXCCUACEHGO-CZUORRHYSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@H]1O ZINC001249223837 1105250090 /nfs/dbraw/zinc/25/00/90/1105250090.db2.gz OLSZXCCUACEHGO-CZUORRHYSA-N 0 3 317.429 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@@]4(CCO4)C3)ccc2O1 ZINC001249252890 1105257841 /nfs/dbraw/zinc/25/78/41/1105257841.db2.gz ZKHCIGCQBBQIPF-LJQANCHMSA-N 0 3 315.413 3.331 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@@]4(CCO4)C3)ccc2O1 ZINC001249252890 1105257844 /nfs/dbraw/zinc/25/78/44/1105257844.db2.gz ZKHCIGCQBBQIPF-LJQANCHMSA-N 0 3 315.413 3.331 20 10 DGCDHN Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c(F)c1 ZINC001249339572 1105271148 /nfs/dbraw/zinc/27/11/48/1105271148.db2.gz LZYSAVDFSSMBKV-CQSZACIVSA-N 0 3 313.332 3.132 20 10 DGCDHN CCCC[C@H](CC)COC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC001253010739 1105876452 /nfs/dbraw/zinc/87/64/52/1105876452.db2.gz WIPLQZIMOKSQEX-FUHWJXTLSA-N 0 3 323.477 3.418 20 10 DGCDHN CCCC[C@H](CC)COC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC001253010739 1105876456 /nfs/dbraw/zinc/87/64/56/1105876456.db2.gz WIPLQZIMOKSQEX-FUHWJXTLSA-N 0 3 323.477 3.418 20 10 DGCDHN OC[C@]1(NCc2ccc(N3CCCC3)cc2)CCc2ccccc21 ZINC001253279409 1105918721 /nfs/dbraw/zinc/91/87/21/1105918721.db2.gz FFVJAWHJFJCNQM-OAQYLSRUSA-N 0 3 322.452 3.210 20 10 DGCDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](C)c1ccccc1[O-])C2 ZINC001255182336 1106201674 /nfs/dbraw/zinc/20/16/74/1106201674.db2.gz DTTLVPZUQCXXCG-TUVASFSCSA-N 0 3 318.417 3.195 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)c([O-])c1 ZINC001308667839 1111458403 /nfs/dbraw/zinc/45/84/03/1111458403.db2.gz GGWIADCZUXLCLO-LPHOPBHVSA-N 0 3 310.441 3.311 20 10 DGCDHN COc1ccc(CC[NH2+]Cc2cc(C)ccc2[O-])cc1OC ZINC000103854791 432012567 /nfs/dbraw/zinc/01/25/67/432012567.db2.gz LZEXDCAAUFFQDV-UHFFFAOYSA-N 0 3 301.386 3.050 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000179552797 432062053 /nfs/dbraw/zinc/06/20/53/432062053.db2.gz JNUHOAUEGCVGHM-KRWDZBQOSA-N 0 3 313.397 3.279 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000179552797 432062054 /nfs/dbraw/zinc/06/20/54/432062054.db2.gz JNUHOAUEGCVGHM-KRWDZBQOSA-N 0 3 313.397 3.279 20 10 DGCDHN CN(Cc1cc(Br)cn1C)Cc1ccccc1O ZINC000179586187 432064265 /nfs/dbraw/zinc/06/42/65/432064265.db2.gz WQFVBQJRAYWMTN-UHFFFAOYSA-N 0 3 309.207 3.125 20 10 DGCDHN CCOc1ccc(O)c(CN2CCC[C@H]2c2cccn2C)c1 ZINC000179709029 432068510 /nfs/dbraw/zinc/06/85/10/432068510.db2.gz CZJDOENDNIJEEM-KRWDZBQOSA-N 0 3 300.402 3.467 20 10 DGCDHN C[C@H](c1cccc(O)c1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000093316108 193229737 /nfs/dbraw/zinc/22/97/37/193229737.db2.gz QAWQOKFMHSYJGM-LLVKDONJSA-N 0 3 301.342 3.020 20 10 DGCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc([S@@](C)=O)cc1 ZINC000268897387 432145753 /nfs/dbraw/zinc/14/57/53/432145753.db2.gz ZDTQKOQIELWCMB-WHEQGISXSA-N 0 3 315.438 3.210 20 10 DGCDHN CCOc1cccc(CN[C@@H](CCOC)c2ccco2)c1O ZINC000272560048 130041209 /nfs/dbraw/zinc/04/12/09/130041209.db2.gz NFTGKDBMKVUVMK-AWEZNQCLSA-N 0 3 305.374 3.251 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)c1 ZINC000273422095 130118918 /nfs/dbraw/zinc/11/89/18/130118918.db2.gz SKKKJDGVXDATCB-CQSZACIVSA-N 0 3 312.413 3.253 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273437602 130122400 /nfs/dbraw/zinc/12/24/00/130122400.db2.gz XNPCJOZMIJQNEX-ZBFHGGJFSA-N 0 3 317.404 3.342 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1C ZINC000273481233 130126807 /nfs/dbraw/zinc/12/68/07/130126807.db2.gz MEDXDPZRCUYGGQ-ZIAGYGMSSA-N 0 3 304.434 3.059 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)c([O-])c1C ZINC000273610841 130143548 /nfs/dbraw/zinc/14/35/48/130143548.db2.gz VTIJERXHOZLFRR-GFCCVEGCSA-N 0 3 304.356 3.154 20 10 DGCDHN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284162458 131054453 /nfs/dbraw/zinc/05/44/53/131054453.db2.gz PVMDTZDBAOEMAA-KDOFPFPSSA-N 0 3 315.413 3.402 20 10 DGCDHN COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000284241351 131062024 /nfs/dbraw/zinc/06/20/24/131062024.db2.gz FCOVWOLSLLVQHB-KDOFPFPSSA-N 0 3 314.429 3.354 20 10 DGCDHN COc1cccc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1O ZINC000284430438 131080081 /nfs/dbraw/zinc/08/00/81/131080081.db2.gz RWYCBWDTIJBEHR-GXTWGEPZSA-N 0 3 316.228 3.417 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc(F)ccc1[O-] ZINC000284527177 131089946 /nfs/dbraw/zinc/08/99/46/131089946.db2.gz ZRMQKHPXRNCUEG-SECBINFHSA-N 0 3 312.291 3.379 20 10 DGCDHN COC(=O)c1csc([C@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000285488006 131173328 /nfs/dbraw/zinc/17/33/28/131173328.db2.gz BXLZEHOCKWGAIW-LBPRGKRZSA-N 0 3 318.442 3.452 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CN(C)C)c1[O-] ZINC000287160491 131266896 /nfs/dbraw/zinc/26/68/96/131266896.db2.gz TYOFUHPSHFAGPC-QWRGUYRKSA-N 0 3 315.255 3.064 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)CCOCc2ccccc2)c1[O-] ZINC000288344614 131321001 /nfs/dbraw/zinc/32/10/01/131321001.db2.gz BSMQWICGDPXOIQ-HNNXBMFYSA-N 0 3 315.413 3.486 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c1[O-] ZINC000288432201 131324883 /nfs/dbraw/zinc/32/48/83/131324883.db2.gz BROYTQPRAUTNDQ-DYVFJYSZSA-N 0 3 301.386 3.003 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c([O-])c1 ZINC000288557531 131330899 /nfs/dbraw/zinc/33/08/99/131330899.db2.gz MAMYWGZFIRJZCJ-IFXJQAMLSA-N 0 3 315.413 3.393 20 10 DGCDHN CCOc1ccc(O)c(CN(C)[C@H](CCO)c2ccccc2)c1 ZINC000093442740 400246272 /nfs/dbraw/zinc/24/62/72/400246272.db2.gz PMRONMCRSULKMX-GOSISDBHSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+](C)[C@H](CCO)c2ccccc2)c1 ZINC000093442740 400246276 /nfs/dbraw/zinc/24/62/76/400246276.db2.gz PMRONMCRSULKMX-GOSISDBHSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1 ZINC000093442740 400246278 /nfs/dbraw/zinc/24/62/78/400246278.db2.gz PMRONMCRSULKMX-GOSISDBHSA-N 0 3 315.413 3.346 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c([O-])c1 ZINC000093585847 400250123 /nfs/dbraw/zinc/25/01/23/400250123.db2.gz UEOLBHNXZRYZMN-VQIMIIECSA-N 0 3 319.445 3.308 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c([O-])c1 ZINC000093585847 400250127 /nfs/dbraw/zinc/25/01/27/400250127.db2.gz UEOLBHNXZRYZMN-VQIMIIECSA-N 0 3 319.445 3.308 20 10 DGCDHN C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000127186386 227001771 /nfs/dbraw/zinc/00/17/71/227001771.db2.gz PRAIZRIPFIHWNC-CQSZACIVSA-N 0 3 308.385 3.166 20 10 DGCDHN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000127186386 227001777 /nfs/dbraw/zinc/00/17/77/227001777.db2.gz PRAIZRIPFIHWNC-CQSZACIVSA-N 0 3 308.385 3.166 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1[N+](=O)[O-] ZINC000297634540 227395287 /nfs/dbraw/zinc/39/52/87/227395287.db2.gz JJVAVKVLQNRJFQ-ZDUSSCGKSA-N 0 3 314.341 3.086 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@H]2c2cccn2C)cc1OC ZINC000179598488 228352795 /nfs/dbraw/zinc/35/27/95/228352795.db2.gz SBCMQCHAARZWGO-HNNXBMFYSA-N 0 3 316.401 3.085 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1C ZINC000151397902 432244025 /nfs/dbraw/zinc/24/40/25/432244025.db2.gz HJFMBJUXUZZOBA-RDJZCZTQSA-N 0 3 307.459 3.153 20 10 DGCDHN CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534719 288040292 /nfs/dbraw/zinc/04/02/92/288040292.db2.gz PCOKPDIZORSUQK-YOEHRIQHSA-N 0 3 324.440 3.073 20 10 DGCDHN CC(C)(C)OCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000109761547 431178375 /nfs/dbraw/zinc/17/83/75/431178375.db2.gz RVQGVUDWUPTTJP-MRXNPFEDSA-N 0 3 307.434 3.188 20 10 DGCDHN CC(C)(C)OCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000109761547 431178381 /nfs/dbraw/zinc/17/83/81/431178381.db2.gz RVQGVUDWUPTTJP-MRXNPFEDSA-N 0 3 307.434 3.188 20 10 DGCDHN C[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000126257877 431946161 /nfs/dbraw/zinc/94/61/61/431946161.db2.gz RTZOZYXKXMQUMR-ZDUSSCGKSA-N 0 3 315.392 3.181 20 10 DGCDHN CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])CC(C)C ZINC000183401367 432290508 /nfs/dbraw/zinc/29/05/08/432290508.db2.gz FXDTXTDKCHUVSC-ZIAGYGMSSA-N 0 3 308.422 3.204 20 10 DGCDHN C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000183527605 432300865 /nfs/dbraw/zinc/30/08/65/432300865.db2.gz MDGMQPHCMHGIEY-DOMZBBRYSA-N 0 3 320.433 3.346 20 10 DGCDHN COc1cccc(CN(C)C[C@H]2OCCc3ccccc32)c1O ZINC000271133996 432334753 /nfs/dbraw/zinc/33/47/53/432334753.db2.gz LLUWGIGYLMUZLO-GOSISDBHSA-N 0 3 313.397 3.147 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCCCO)c1[O-] ZINC000192925085 432428114 /nfs/dbraw/zinc/42/81/14/432428114.db2.gz PIGIDTAOQCHKIG-NSHDSACASA-N 0 3 316.239 3.276 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c([O-])c1 ZINC000184954193 432449743 /nfs/dbraw/zinc/44/97/43/432449743.db2.gz LYASQQKJKZCUMW-OAHLLOKOSA-N 0 3 322.412 3.191 20 10 DGCDHN CC[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000271585204 432420511 /nfs/dbraw/zinc/42/05/11/432420511.db2.gz XLBRLIFFENRVPS-KGLIPLIRSA-N 0 3 304.356 3.107 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)c1 ZINC000271850141 432425784 /nfs/dbraw/zinc/42/57/84/432425784.db2.gz SWSOWQVVIZJRFY-XIKOKIGWSA-N 0 3 319.376 3.406 20 10 DGCDHN C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC(C)(C)C ZINC000185217960 432479199 /nfs/dbraw/zinc/47/91/99/432479199.db2.gz DJHKBUPALAPOAE-STQMWFEESA-N 0 3 318.461 3.225 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000185232440 432480601 /nfs/dbraw/zinc/48/06/01/432480601.db2.gz LNZLHXPXCQCHIB-GFCCVEGCSA-N 0 3 318.392 3.457 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000185232440 432480604 /nfs/dbraw/zinc/48/06/04/432480604.db2.gz LNZLHXPXCQCHIB-GFCCVEGCSA-N 0 3 318.392 3.457 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1 ZINC000185518712 432507263 /nfs/dbraw/zinc/50/72/63/432507263.db2.gz TXMHIYXEHQYBGQ-ZBEGNZNMSA-N 0 3 307.415 3.021 20 10 DGCDHN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185511687 432507403 /nfs/dbraw/zinc/50/74/03/432507403.db2.gz UCYNBXSPWZZTNT-PSTGCABASA-N 0 3 309.475 3.034 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000185104725 432466514 /nfs/dbraw/zinc/46/65/14/432466514.db2.gz GFNKZELDRVMMAG-CQSZACIVSA-N 0 3 316.470 3.471 20 10 DGCDHN CCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000155358022 432551426 /nfs/dbraw/zinc/55/14/26/432551426.db2.gz VDSCRFRRBJUZGW-KRWDZBQOSA-N 0 3 312.413 3.383 20 10 DGCDHN C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000186166101 432565342 /nfs/dbraw/zinc/56/53/42/432565342.db2.gz FLUYDYBYOUISHH-KPZWWZAWSA-N 0 3 301.361 3.016 20 10 DGCDHN CCc1nn(C)c(CC)c1CN[C@H](C)c1cc(C)ccc1O ZINC000186176823 432565357 /nfs/dbraw/zinc/56/53/57/432565357.db2.gz FVOLDSFYPYOHDK-CYBMUJFWSA-N 0 3 301.434 3.410 20 10 DGCDHN CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000186176823 432565360 /nfs/dbraw/zinc/56/53/60/432565360.db2.gz FVOLDSFYPYOHDK-CYBMUJFWSA-N 0 3 301.434 3.410 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136329 432562047 /nfs/dbraw/zinc/56/20/47/432562047.db2.gz OYHOBVWRQLINDC-OGHNNQOOSA-N 0 3 323.458 3.106 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2nc(C)c(C)s2)c1 ZINC000185797528 432533286 /nfs/dbraw/zinc/53/32/86/432533286.db2.gz RATOBWBQCXXQAO-NSHDSACASA-N 0 3 306.431 3.367 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c([O-])c1 ZINC000185813053 432535720 /nfs/dbraw/zinc/53/57/20/432535720.db2.gz PCDJLYRPXNXEBR-WMLDXEAASA-N 0 3 310.397 3.157 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000155198133 432544245 /nfs/dbraw/zinc/54/42/45/432544245.db2.gz SOGUKPDZMSMOBZ-UHFFFAOYSA-N 0 3 321.428 3.170 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(C)C)C1=O ZINC000177027164 432575825 /nfs/dbraw/zinc/57/58/25/432575825.db2.gz SWEYVQHCXWGGOT-INIZCTEOSA-N 0 3 304.434 3.004 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(C)C)C1=O ZINC000177027164 432575827 /nfs/dbraw/zinc/57/58/27/432575827.db2.gz SWEYVQHCXWGGOT-INIZCTEOSA-N 0 3 304.434 3.004 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000187909838 432692322 /nfs/dbraw/zinc/69/23/22/432692322.db2.gz YKZUGNAXFRYVSM-IFXJQAMLSA-N 0 3 315.413 3.349 20 10 DGCDHN Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(C)ccc3[O-])CC2)n[nH]1 ZINC000275959117 432763165 /nfs/dbraw/zinc/76/31/65/432763165.db2.gz VPHWGBDJPKMKEX-AWEZNQCLSA-N 0 3 314.433 3.052 20 10 DGCDHN COc1cccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1[O-] ZINC000276643085 432823579 /nfs/dbraw/zinc/82/35/79/432823579.db2.gz RAUSKFWVBQFDKH-HNNXBMFYSA-N 0 3 305.418 3.372 20 10 DGCDHN C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000268408185 432869471 /nfs/dbraw/zinc/86/94/71/432869471.db2.gz GMIGBLMRJGAGBC-JLCFBVMHSA-N 0 3 317.454 3.306 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278302155 432890660 /nfs/dbraw/zinc/89/06/60/432890660.db2.gz AAUYYZBSGCJJCS-MRXNPFEDSA-N 0 3 309.768 3.316 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)CC2 ZINC000296851391 432932054 /nfs/dbraw/zinc/93/20/54/432932054.db2.gz NFZJJSOQHUWQIS-UKRRQHHQSA-N 0 3 321.779 3.495 20 10 DGCDHN C[C@@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000296877230 432934248 /nfs/dbraw/zinc/93/42/48/432934248.db2.gz OBRHNVPBDITBLP-CRAIPNDOSA-N 0 3 301.361 3.016 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296353153 432899163 /nfs/dbraw/zinc/89/91/63/432899163.db2.gz IKVLGHKHPZECKN-GJZGRUSLSA-N 0 3 318.461 3.375 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296353153 432899164 /nfs/dbraw/zinc/89/91/64/432899164.db2.gz IKVLGHKHPZECKN-GJZGRUSLSA-N 0 3 318.461 3.375 20 10 DGCDHN COC[C@H]([NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2)[C@H]1CCCO1 ZINC000278838961 432907552 /nfs/dbraw/zinc/90/75/52/432907552.db2.gz PKECFUCEGVMFMS-XVGQJIODSA-N 0 3 319.445 3.116 20 10 DGCDHN CC[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(C)cc1[O-] ZINC000280083103 433002005 /nfs/dbraw/zinc/00/20/05/433002005.db2.gz LWBLCKUDWDKLOD-HNNXBMFYSA-N 0 3 317.458 3.286 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(C)cc1[O-] ZINC000280113114 433002128 /nfs/dbraw/zinc/00/21/28/433002128.db2.gz NSKRAFFMCPHDML-HOCLYGCPSA-N 0 3 305.418 3.427 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c([O-])c1 ZINC000289709708 432972692 /nfs/dbraw/zinc/97/26/92/432972692.db2.gz OXBAWVWIRRZDJT-SJPCQFCGSA-N 0 3 318.461 3.238 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c([O-])c1 ZINC000289709708 432972695 /nfs/dbraw/zinc/97/26/95/432972695.db2.gz OXBAWVWIRRZDJT-SJPCQFCGSA-N 0 3 318.461 3.238 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+](C)CCCCCO)c1[O-] ZINC000279509191 432977529 /nfs/dbraw/zinc/97/75/29/432977529.db2.gz XBDJXRHEYFUUIV-UHFFFAOYSA-N 0 3 316.239 3.058 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+](C)CCCCCO)c1[O-] ZINC000279509191 432977533 /nfs/dbraw/zinc/97/75/33/432977533.db2.gz XBDJXRHEYFUUIV-UHFFFAOYSA-N 0 3 316.239 3.058 20 10 DGCDHN C[C@@H](CN(C)C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000289932493 432978322 /nfs/dbraw/zinc/97/83/22/432978322.db2.gz WNJLBLYILZYCJL-HNNXBMFYSA-N 0 3 314.429 3.011 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1 ZINC000290183266 433008613 /nfs/dbraw/zinc/00/86/13/433008613.db2.gz FMGAISKWEYJRAR-LXIYXOSZSA-N 0 3 301.386 3.174 20 10 DGCDHN C[S@@](=O)C1(CNCc2ccc(N3CCCCC3)cc2)CCC1 ZINC000280535704 433078114 /nfs/dbraw/zinc/07/81/14/433078114.db2.gz CLAHYPHERYEUNE-JOCHJYFZSA-N 0 3 320.502 3.068 20 10 DGCDHN CCN(CC)c1ccc(CNCc2c[nH]c3nccnc23)cc1 ZINC000290807764 433171953 /nfs/dbraw/zinc/17/19/53/433171953.db2.gz FWTIJFGQYZAORU-UHFFFAOYSA-N 0 3 309.417 3.094 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281139799 433266150 /nfs/dbraw/zinc/26/61/50/433266150.db2.gz OFIQQPTWKQKRQE-INIZCTEOSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281139799 433266160 /nfs/dbraw/zinc/26/61/60/433266160.db2.gz OFIQQPTWKQKRQE-INIZCTEOSA-N 0 3 324.424 3.186 20 10 DGCDHN CCCCN(Cc1ccccc1O)C(=O)CC1CCN(C)CC1 ZINC000291705816 433319929 /nfs/dbraw/zinc/31/99/29/433319929.db2.gz PLFNYRGGJAHDDF-UHFFFAOYSA-N 0 3 318.461 3.253 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cc(F)ccc1[O-] ZINC000281683000 433345952 /nfs/dbraw/zinc/34/59/52/433345952.db2.gz RNEQZYRWJHVVRI-LLVKDONJSA-N 0 3 321.421 3.307 20 10 DGCDHN COCCCOC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000292805516 433599378 /nfs/dbraw/zinc/59/93/78/433599378.db2.gz MQYXXDXYSSAPPT-UHFFFAOYSA-N 0 3 320.477 3.079 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C2(C3CC3)CCOCC2)c1[O-] ZINC000376390042 433726486 /nfs/dbraw/zinc/72/64/86/433726486.db2.gz YZSQSEJLXUIFEA-UHFFFAOYSA-N 0 3 311.809 3.103 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000377241875 433851208 /nfs/dbraw/zinc/85/12/08/433851208.db2.gz GSKRYQFVRGZYEX-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1cccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000377241875 433851216 /nfs/dbraw/zinc/85/12/16/433851216.db2.gz GSKRYQFVRGZYEX-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293794854 433871647 /nfs/dbraw/zinc/87/16/47/433871647.db2.gz UPACSVFMBKLPKF-UKRRQHHQSA-N 0 3 306.450 3.212 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](Cc2ccccc2)OC)c1 ZINC000294715939 434129830 /nfs/dbraw/zinc/12/98/30/434129830.db2.gz FAXYHOVQYQINGA-YOEHRIQHSA-N 0 3 315.413 3.309 20 10 DGCDHN Cc1nccnc1CC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000295007785 434159059 /nfs/dbraw/zinc/15/90/59/434159059.db2.gz MLUBSHYAFPUOJD-ZDUSSCGKSA-N 0 3 311.429 3.263 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCCc2ncccc2C)c1[O-] ZINC000295029843 434163061 /nfs/dbraw/zinc/16/30/61/434163061.db2.gz NUQGZKSBVZIEDP-UHFFFAOYSA-N 0 3 320.820 3.480 20 10 DGCDHN COCCOc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295986910 434466749 /nfs/dbraw/zinc/46/67/49/434466749.db2.gz NOPHAJKFHMOOJH-KRWDZBQOSA-N 0 3 313.397 3.195 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000367684783 434555172 /nfs/dbraw/zinc/55/51/72/434555172.db2.gz LLVGFASPQICZQO-JKSUJKDBSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000367684783 434555175 /nfs/dbraw/zinc/55/51/75/434555175.db2.gz LLVGFASPQICZQO-JKSUJKDBSA-N 0 3 319.445 3.430 20 10 DGCDHN COc1cccc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)c1O ZINC000368167131 434568076 /nfs/dbraw/zinc/56/80/76/434568076.db2.gz LHYTYKPXHHYCEP-MRXNPFEDSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1[O-] ZINC000368167131 434568082 /nfs/dbraw/zinc/56/80/82/434568082.db2.gz LHYTYKPXHHYCEP-MRXNPFEDSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1[O-] ZINC000368167131 434568088 /nfs/dbraw/zinc/56/80/88/434568088.db2.gz LHYTYKPXHHYCEP-MRXNPFEDSA-N 0 3 317.360 3.193 20 10 DGCDHN Cc1ccc([O-])c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000367999344 434563386 /nfs/dbraw/zinc/56/33/86/434563386.db2.gz JJIFTLUVSQNJCH-UHFFFAOYSA-N 0 3 305.809 3.388 20 10 DGCDHN COc1ccc(O)c(CN(CCN(C)C)Cc2cccs2)c1 ZINC000289574052 295166106 /nfs/dbraw/zinc/16/61/06/295166106.db2.gz ZXFSWGZEQZHONZ-UHFFFAOYSA-N 0 3 320.458 3.026 20 10 DGCDHN O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000361067900 434786757 /nfs/dbraw/zinc/78/67/57/434786757.db2.gz OLJQGJJNVMGOPF-IBGZPJMESA-N 0 3 322.408 3.340 20 10 DGCDHN Cn1ccnc1[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000372880758 434860091 /nfs/dbraw/zinc/86/00/91/434860091.db2.gz LECIEJSRWNUTRU-OAHLLOKOSA-N 0 3 307.397 3.268 20 10 DGCDHN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000372880758 434860092 /nfs/dbraw/zinc/86/00/92/434860092.db2.gz LECIEJSRWNUTRU-OAHLLOKOSA-N 0 3 307.397 3.268 20 10 DGCDHN COc1cccc([C@@H](CNCc2ccc(OC)c(C)c2)OC)c1 ZINC000527738377 435014055 /nfs/dbraw/zinc/01/40/55/435014055.db2.gz ITAAYECCZJRFST-LJQANCHMSA-N 0 3 315.413 3.490 20 10 DGCDHN C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])CN(C)C ZINC000293759969 298779008 /nfs/dbraw/zinc/77/90/08/298779008.db2.gz RZSGMAYRMHFULJ-MNOVXSKESA-N 0 3 315.255 3.003 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2)c([O-])c1 ZINC000295143680 335132854 /nfs/dbraw/zinc/13/28/54/335132854.db2.gz ZYTNZSUXQPTFMC-SFHVURJKSA-N 0 3 315.413 3.346 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c([O-])c1 ZINC000295143680 335132855 /nfs/dbraw/zinc/13/28/55/335132855.db2.gz ZYTNZSUXQPTFMC-SFHVURJKSA-N 0 3 315.413 3.346 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000371546737 534204492 /nfs/dbraw/zinc/20/44/92/534204492.db2.gz NZKZLFSYQPNCOK-DJJJIMSYSA-N 0 3 313.397 3.365 20 10 DGCDHN CC(C)([NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccc(F)c1 ZINC000124674970 519321721 /nfs/dbraw/zinc/32/17/21/519321721.db2.gz OKWHRAUWPGSNAL-UHFFFAOYSA-N 0 3 303.333 3.285 20 10 DGCDHN CC(C)(NCc1cc2c(cc1O)OCO2)c1cccc(F)c1 ZINC000124674970 519321729 /nfs/dbraw/zinc/32/17/29/519321729.db2.gz OKWHRAUWPGSNAL-UHFFFAOYSA-N 0 3 303.333 3.285 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC2(CC)CCOCC2)c([O-])c1 ZINC000266635821 520366518 /nfs/dbraw/zinc/36/65/18/520366518.db2.gz RQZKSZQALACCER-UHFFFAOYSA-N 0 3 307.434 3.477 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@](C)(O)c2cccs2)c([O-])c1 ZINC000265819186 520367899 /nfs/dbraw/zinc/36/78/99/520367899.db2.gz XOQMYDWGKQEIRV-KRWDZBQOSA-N 0 3 321.442 3.240 20 10 DGCDHN CCN(CC)[C@H](C[NH2+]Cc1cccc(OC)c1[O-])c1ccco1 ZINC000236895532 520866177 /nfs/dbraw/zinc/86/61/77/520866177.db2.gz IPNCUPIGKDFUHU-OAHLLOKOSA-N 0 3 318.417 3.167 20 10 DGCDHN CC[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000127401163 522840512 /nfs/dbraw/zinc/84/05/12/522840512.db2.gz WYXOKQBWMSBMQO-IERDGZPVSA-N 0 3 310.507 3.341 20 10 DGCDHN COc1ccccc1C(C)(C)NCc1cc2c(cc1O)OCO2 ZINC000237106961 524365057 /nfs/dbraw/zinc/36/50/57/524365057.db2.gz LMINRLGIHJPWER-UHFFFAOYSA-N 0 3 315.369 3.154 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOc2ccc(F)cc2)c1 ZINC000182460845 524764682 /nfs/dbraw/zinc/76/46/82/524764682.db2.gz GRIHIBXKRXSIHR-GFCCVEGCSA-N 0 3 305.349 3.270 20 10 DGCDHN Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000179875714 524972651 /nfs/dbraw/zinc/97/26/51/524972651.db2.gz UMNDPUDODBTSCB-RHSMWYFYSA-N 0 3 310.397 3.157 20 10 DGCDHN COc1cccc(C[NH2+]CCc2nc3c(cccc3C)o2)c1[O-] ZINC000266333988 526017913 /nfs/dbraw/zinc/01/79/13/526017913.db2.gz WNZXLDXXULYKNA-UHFFFAOYSA-N 0 3 312.369 3.183 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000180806133 526348504 /nfs/dbraw/zinc/34/85/04/526348504.db2.gz AYMQSIQQRHBNDG-UHFFFAOYSA-N 0 3 319.351 3.466 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000180271163 526348665 /nfs/dbraw/zinc/34/86/65/526348665.db2.gz ZNMDLUJMBGSTGE-GOEBONIOSA-N 0 3 305.349 3.212 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000180271163 526348669 /nfs/dbraw/zinc/34/86/69/526348669.db2.gz ZNMDLUJMBGSTGE-GOEBONIOSA-N 0 3 305.349 3.212 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1[O-] ZINC000288432206 535462103 /nfs/dbraw/zinc/46/21/03/535462103.db2.gz BROYTQPRAUTNDQ-SUMWQHHRSA-N 0 3 301.386 3.003 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])[C@@]12CCCO2 ZINC000274274094 535512808 /nfs/dbraw/zinc/51/28/08/535512808.db2.gz XDURTXNIISQXKK-RUGDWHBFSA-N 0 3 305.418 3.078 20 10 DGCDHN CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273406991 535770732 /nfs/dbraw/zinc/77/07/32/535770732.db2.gz OQDCZWJWUZRCOP-CQSZACIVSA-N 0 3 320.433 3.281 20 10 DGCDHN COCC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000273412444 536809948 /nfs/dbraw/zinc/80/99/48/536809948.db2.gz IAMJDBMOPVHNPS-IUODEOHRSA-N 0 3 305.374 3.422 20 10 DGCDHN CN(C)c1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000731041681 574541766 /nfs/dbraw/zinc/54/17/66/574541766.db2.gz OGVAWYVCGKTNBT-UHFFFAOYSA-N 0 3 311.429 3.260 20 10 DGCDHN CCCCNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848107 574560263 /nfs/dbraw/zinc/56/02/63/574560263.db2.gz SEMABBWSPKRBLM-UHFFFAOYSA-N 0 3 304.434 3.053 20 10 DGCDHN CCCCNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848107 574560265 /nfs/dbraw/zinc/56/02/65/574560265.db2.gz SEMABBWSPKRBLM-UHFFFAOYSA-N 0 3 304.434 3.053 20 10 DGCDHN Cc1ccc(O)c(CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000733324326 574615282 /nfs/dbraw/zinc/61/52/82/574615282.db2.gz PNMZBAUFCNUMDE-UHFFFAOYSA-N 0 3 319.788 3.415 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000733324326 574615284 /nfs/dbraw/zinc/61/52/84/574615284.db2.gz PNMZBAUFCNUMDE-UHFFFAOYSA-N 0 3 319.788 3.415 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1C(C)C ZINC000738148980 574860152 /nfs/dbraw/zinc/86/01/52/574860152.db2.gz NYKLOTZCOZEOPL-HNNXBMFYSA-N 0 3 319.445 3.409 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1C(C)C ZINC000738148980 574860155 /nfs/dbraw/zinc/86/01/55/574860155.db2.gz NYKLOTZCOZEOPL-HNNXBMFYSA-N 0 3 319.445 3.409 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C(C)(C)C2CC2)c1[O-] ZINC000742374484 574993384 /nfs/dbraw/zinc/99/33/84/574993384.db2.gz ZLYSEIZJBGTKRN-UHFFFAOYSA-N 0 3 314.223 3.442 20 10 DGCDHN C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1[O-] ZINC000744403067 575339980 /nfs/dbraw/zinc/33/99/80/575339980.db2.gz VAZIXGKMIWXZME-UHFFFAOYSA-N 0 3 320.339 3.131 20 10 DGCDHN C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1[O-] ZINC000744403067 575339982 /nfs/dbraw/zinc/33/99/82/575339982.db2.gz VAZIXGKMIWXZME-UHFFFAOYSA-N 0 3 320.339 3.131 20 10 DGCDHN C[C@H](CCNC(=O)c1cc([O-])cs1)[N@H+](C)Cc1ccccc1 ZINC000746693128 575470605 /nfs/dbraw/zinc/47/06/05/575470605.db2.gz BPJPYJWYFSFJIT-CYBMUJFWSA-N 0 3 318.442 3.094 20 10 DGCDHN C[C@H](CCNC(=O)c1cc([O-])cs1)[N@@H+](C)Cc1ccccc1 ZINC000746693128 575470606 /nfs/dbraw/zinc/47/06/06/575470606.db2.gz BPJPYJWYFSFJIT-CYBMUJFWSA-N 0 3 318.442 3.094 20 10 DGCDHN CCC(CC)[C@H](CC[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000746760880 575473979 /nfs/dbraw/zinc/47/39/79/575473979.db2.gz JHNDYDKEEPDVNP-HNNXBMFYSA-N 0 3 309.406 3.052 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](COC)Cc2ccccc2)c([O-])c1 ZINC000747100511 575496424 /nfs/dbraw/zinc/49/64/24/575496424.db2.gz JAFZFXBPVNTKFO-KRWDZBQOSA-N 0 3 315.413 3.138 20 10 DGCDHN COc1ccc(N2CCCN([C@H](C)c3ccccn3)CC2)cc1 ZINC000750039559 575699059 /nfs/dbraw/zinc/69/90/59/575699059.db2.gz PVXCKMZECQMUSW-MRXNPFEDSA-N 0 3 311.429 3.364 20 10 DGCDHN CCCNC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725847670 575929498 /nfs/dbraw/zinc/92/94/98/575929498.db2.gz QCZMEAYZGLEVDW-UHFFFAOYSA-N 0 3 312.413 3.065 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241019 620681498 /nfs/dbraw/zinc/68/14/98/620681498.db2.gz RRVLWYWWCOLOOO-ZFWWWQNUSA-N 0 3 306.425 3.304 20 10 DGCDHN COc1ccc(N2CCCN([C@@H](C)c3cccnc3)CC2)cc1 ZINC000918186708 620701704 /nfs/dbraw/zinc/70/17/04/620701704.db2.gz GZOQSLHZFKWPET-INIZCTEOSA-N 0 3 311.429 3.364 20 10 DGCDHN COC(=O)CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000918734072 620723022 /nfs/dbraw/zinc/72/30/22/620723022.db2.gz UEZDVSLYSHHRDM-UHFFFAOYSA-N 0 3 313.397 3.321 20 10 DGCDHN CC[N@H+](CCc1ccccc1)Cc1ccc(OC)c(OC)c1[O-] ZINC000891620026 617853855 /nfs/dbraw/zinc/85/38/55/617853855.db2.gz MNKSOVMTZWJKHC-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN CC[N@@H+](CCc1ccccc1)Cc1ccc(OC)c(OC)c1[O-] ZINC000891620026 617853863 /nfs/dbraw/zinc/85/38/63/617853863.db2.gz MNKSOVMTZWJKHC-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN Cc1cc([C@H](C)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nn1C ZINC000840894177 618325659 /nfs/dbraw/zinc/32/56/59/618325659.db2.gz PMRBZZJMHGIMHV-HOCLYGCPSA-N 0 3 314.477 3.385 20 10 DGCDHN COc1cc(C)cc(CNC(C)(C)c2c(C)noc2C)c1O ZINC000894756943 618447672 /nfs/dbraw/zinc/44/76/72/618447672.db2.gz NXYFRLDBOADYMR-UHFFFAOYSA-N 0 3 304.390 3.339 20 10 DGCDHN COc1cccc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000895716563 618822130 /nfs/dbraw/zinc/82/21/30/618822130.db2.gz JCWSRUDNCLUIQE-INIZCTEOSA-N 0 3 319.445 3.430 20 10 DGCDHN COc1cccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000895716563 618822133 /nfs/dbraw/zinc/82/21/33/618822133.db2.gz JCWSRUDNCLUIQE-INIZCTEOSA-N 0 3 319.445 3.430 20 10 DGCDHN C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000896737353 618951484 /nfs/dbraw/zinc/95/14/84/618951484.db2.gz RRYAZBNSYZBJSG-KDOFPFPSSA-N 0 3 313.397 3.096 20 10 DGCDHN Cc1ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC000896808044 618961895 /nfs/dbraw/zinc/96/18/95/618961895.db2.gz BHKPEGADKVPNDO-GXTWGEPZSA-N 0 3 303.324 3.290 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC000926914739 619248241 /nfs/dbraw/zinc/24/82/41/619248241.db2.gz JAZJYSNJDPWIOL-BZPMIXESSA-N 0 3 315.335 3.469 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c([O-])c1 ZINC000926922906 619249708 /nfs/dbraw/zinc/24/97/08/619249708.db2.gz SFDWUDLWGSODCC-OLZOCXBDSA-N 0 3 316.367 3.378 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccccc1[O-] ZINC000926923799 619249805 /nfs/dbraw/zinc/24/98/05/619249805.db2.gz YUQHUTXIHLUGKP-OCCSQVGLSA-N 0 3 316.367 3.460 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)NCc2cc(C(F)(F)F)nn2C)c1 ZINC000926929639 619250450 /nfs/dbraw/zinc/25/04/50/619250450.db2.gz YHVCKHZBFNYVHR-SNVBAGLBSA-N 0 3 313.323 3.304 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c([O-])c1 ZINC000926959025 619252494 /nfs/dbraw/zinc/25/24/94/619252494.db2.gz AINKUILQSXSWPW-FZMZJTMJSA-N 0 3 304.356 3.234 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c([O-])c1 ZINC000926959024 619252673 /nfs/dbraw/zinc/25/26/73/619252673.db2.gz AINKUILQSXSWPW-BXUZGUMPSA-N 0 3 304.356 3.234 20 10 DGCDHN CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000903238726 619742248 /nfs/dbraw/zinc/74/22/48/619742248.db2.gz URFJZDVAUQELOW-ZDUSSCGKSA-N 0 3 318.417 3.026 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1ccc(C)cc1[O-] ZINC000903269683 619749610 /nfs/dbraw/zinc/74/96/10/619749610.db2.gz AZEHAWCAFPAVOR-YESZJQIVSA-N 0 3 320.502 3.321 20 10 DGCDHN C[C@@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000903269050 619749653 /nfs/dbraw/zinc/74/96/53/619749653.db2.gz VVRDNOSSLIPZFG-CQSZACIVSA-N 0 3 305.418 3.366 20 10 DGCDHN CC[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccccc1[O-] ZINC000903308613 619757052 /nfs/dbraw/zinc/75/70/52/619757052.db2.gz JUHOJOPPLFIOBH-AEFFLSMTSA-N 0 3 303.377 3.480 20 10 DGCDHN CO[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCSC1 ZINC000903314736 619758321 /nfs/dbraw/zinc/75/83/21/619758321.db2.gz PFCQFSMYCOVKDN-IETSOEAISA-N 0 3 311.422 3.191 20 10 DGCDHN CC[C@@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccc(C)cc1[O-] ZINC000903357572 619764597 /nfs/dbraw/zinc/76/45/97/619764597.db2.gz NUDONISHGNSPBC-SJLPKXTDSA-N 0 3 307.434 3.325 20 10 DGCDHN C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1 ZINC000903447832 619778171 /nfs/dbraw/zinc/77/81/71/619778171.db2.gz CWYJLXUHWLVXBY-CXAGYDPISA-N 0 3 318.490 3.163 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@H](C)CC3)c2c1 ZINC000905740043 620024710 /nfs/dbraw/zinc/02/47/10/620024710.db2.gz PXTAFNOMZOIFLM-ZDUSSCGKSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@H](C)CC3)c2c1 ZINC000905740043 620024713 /nfs/dbraw/zinc/02/47/13/620024713.db2.gz PXTAFNOMZOIFLM-ZDUSSCGKSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1cc(CN2CCCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000754739481 620578348 /nfs/dbraw/zinc/57/83/48/620578348.db2.gz CCXXLOPEPFOHDP-ZDUSSCGKSA-N 0 3 307.434 3.309 20 10 DGCDHN COc1ccc(CNCc2ccc3c(c2)CCCO3)cc1OC ZINC000921473734 620860006 /nfs/dbraw/zinc/86/00/06/620860006.db2.gz ZENYNCUHYWKEFN-UHFFFAOYSA-N 0 3 313.397 3.319 20 10 DGCDHN c1ccc(-c2nnc(C[NH2+]Cc3ccc4c(c3)CCCO4)[n-]2)cc1 ZINC000921738932 620942374 /nfs/dbraw/zinc/94/23/74/620942374.db2.gz ILLWGSBSAXGLFR-UHFFFAOYSA-N 0 3 320.396 3.087 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn(C)nc1Cl ZINC000856790505 621021971 /nfs/dbraw/zinc/02/19/71/621021971.db2.gz BZLNJHYLVYFTLA-ZDUSSCGKSA-N 0 3 320.868 3.169 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CC2CC(C)C2)c1[O-] ZINC000856811389 621024966 /nfs/dbraw/zinc/02/49/66/621024966.db2.gz OJSZLWXPCIXTCU-UHFFFAOYSA-N 0 3 314.223 3.299 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c([O-])c1 ZINC000922896302 621127593 /nfs/dbraw/zinc/12/75/93/621127593.db2.gz IKXBSZWHKWRAPY-QAPCUYQASA-N 0 3 305.418 3.086 20 10 DGCDHN OC[C@@H](NCc1ccccc1O)c1ccccc1C(F)(F)F ZINC000922984535 621142477 /nfs/dbraw/zinc/14/24/77/621142477.db2.gz LZSZQGWUKUARNH-CQSZACIVSA-N 0 3 311.303 3.234 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000922984535 621142480 /nfs/dbraw/zinc/14/24/80/621142480.db2.gz LZSZQGWUKUARNH-CQSZACIVSA-N 0 3 311.303 3.234 20 10 DGCDHN Cc1csc(CCNCc2cc(F)c(N(C)C)cc2F)n1 ZINC000858094246 621151867 /nfs/dbraw/zinc/15/18/67/621151867.db2.gz NHWFIMAQKFAVRL-UHFFFAOYSA-N 0 3 311.401 3.128 20 10 DGCDHN COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000858473889 621195586 /nfs/dbraw/zinc/19/55/86/621195586.db2.gz RLFXELRJDNFZIM-GXFFZTMASA-N 0 3 309.793 3.266 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(C)cc1[O-] ZINC000858479359 621196185 /nfs/dbraw/zinc/19/61/85/621196185.db2.gz PQYWSQBNPANRNB-DZGCQCFKSA-N 0 3 312.404 3.471 20 10 DGCDHN CC[C@@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000858526939 621201323 /nfs/dbraw/zinc/20/13/23/621201323.db2.gz BPYYMFLKUOGGQX-IEBWSBKVSA-N 0 3 323.440 3.357 20 10 DGCDHN CCCCN(CC(=O)NCC(C)(C)C)Cc1ccccc1O ZINC000859296405 621268037 /nfs/dbraw/zinc/26/80/37/621268037.db2.gz IQGCPKXKKJMIMK-UHFFFAOYSA-N 0 3 306.450 3.157 20 10 DGCDHN CN(C)c1ccc(CN(Cc2ccnc(N(C)C)c2)C2CC2)cc1 ZINC000754009301 621479623 /nfs/dbraw/zinc/47/96/23/621479623.db2.gz AYJDJKJCSCBSPY-UHFFFAOYSA-N 0 3 324.472 3.378 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC3(C2)CCOCC3)cc1F ZINC000862250630 621567564 /nfs/dbraw/zinc/56/75/64/621567564.db2.gz MUSGGNJTGKBSFB-UHFFFAOYSA-N 0 3 310.388 3.033 20 10 DGCDHN CN(C)c1cc(F)c(CNCC[C@H](O)c2ccccc2)cc1F ZINC000862367891 621579875 /nfs/dbraw/zinc/57/98/75/621579875.db2.gz YPWXGSUPHBRBLF-SFHVURJKSA-N 0 3 320.383 3.244 20 10 DGCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862486101 621594763 /nfs/dbraw/zinc/59/47/63/621594763.db2.gz VNOZKPUCBAGRSY-ZFWWWQNUSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862486101 621594765 /nfs/dbraw/zinc/59/47/65/621594765.db2.gz VNOZKPUCBAGRSY-ZFWWWQNUSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862485139 621594914 /nfs/dbraw/zinc/59/49/14/621594914.db2.gz HSBDAWPSZCKOBZ-IUODEOHRSA-N 0 3 323.408 3.331 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862485139 621594916 /nfs/dbraw/zinc/59/49/16/621594916.db2.gz HSBDAWPSZCKOBZ-IUODEOHRSA-N 0 3 323.408 3.331 20 10 DGCDHN CCC(O)(CC)C[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000862538577 621598293 /nfs/dbraw/zinc/59/82/93/621598293.db2.gz AXRWBQIOPUBZFP-UHFFFAOYSA-N 0 3 301.814 3.037 20 10 DGCDHN CCC(O)(CC)C[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000862538577 621598294 /nfs/dbraw/zinc/59/82/94/621598294.db2.gz AXRWBQIOPUBZFP-UHFFFAOYSA-N 0 3 301.814 3.037 20 10 DGCDHN Cc1nn(C)c(C)c1CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756378452 621633103 /nfs/dbraw/zinc/63/31/03/621633103.db2.gz DTIYFVQZWKAVLV-MEBBXXQBSA-N 0 3 317.408 3.262 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCCC[C@H]23)c2c1c(F)ccc2[O-] ZINC000756431630 621638095 /nfs/dbraw/zinc/63/80/95/621638095.db2.gz OHSBVKYHPKXZSW-UQOMUDLDSA-N 0 3 304.409 3.296 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CO)c2c1c(F)ccc2[O-] ZINC000756459505 621639921 /nfs/dbraw/zinc/63/99/21/621639921.db2.gz ORKDJHMXMWKENR-IAQYHMDHSA-N 0 3 301.361 3.362 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756517953 621644497 /nfs/dbraw/zinc/64/44/97/621644497.db2.gz RIRWOGJETOWBCE-JQWIXIFHSA-N 0 3 324.396 3.194 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCOc2cccnc2)c2c1c(F)ccc2[O-] ZINC000756570952 621650359 /nfs/dbraw/zinc/65/03/59/621650359.db2.gz GWJSSXYAOHXGCL-FZMZJTMJSA-N 0 3 302.349 3.143 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756588134 621651267 /nfs/dbraw/zinc/65/12/67/621651267.db2.gz FLJJDNGVAYIDMZ-NNJUXLKUSA-N 0 3 313.438 3.216 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2c1c(F)ccc2[O-] ZINC000756606025 621652348 /nfs/dbraw/zinc/65/23/48/621652348.db2.gz KPZAEMYEKBGOKA-IGBZNEDDSA-N 0 3 305.393 3.483 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]2(N(C)C)CCSC2)c2c1c(F)ccc2[O-] ZINC000756638600 621655179 /nfs/dbraw/zinc/65/51/79/621655179.db2.gz UWZGVILSYBXIRJ-NDGTYSDOSA-N 0 3 324.465 3.107 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c2c1c(F)ccc2[O-] ZINC000756644442 621655663 /nfs/dbraw/zinc/65/56/63/621655663.db2.gz AGGLJAWMJFRHEW-HKCMKHECSA-N 0 3 304.409 3.152 20 10 DGCDHN COc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(C)c(C)c1O ZINC000756710666 621659955 /nfs/dbraw/zinc/65/99/55/621659955.db2.gz DWZKPKUKVSZVLT-RHSMWYFYSA-N 0 3 315.413 3.402 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)c([O-])c1 ZINC000756997767 621678287 /nfs/dbraw/zinc/67/82/87/621678287.db2.gz YPNWAEBPIIGJJW-SFHVURJKSA-N 0 3 312.413 3.067 20 10 DGCDHN CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000863546572 621682323 /nfs/dbraw/zinc/68/23/23/621682323.db2.gz LFXAZHNRCFKAJL-TVYUQYBPSA-N 0 3 302.340 3.202 20 10 DGCDHN C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000839562907 621697078 /nfs/dbraw/zinc/69/70/78/621697078.db2.gz FMIAGCKEWGVREQ-IFXJQAMLSA-N 0 3 323.440 3.357 20 10 DGCDHN c1cncc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000758633150 621792692 /nfs/dbraw/zinc/79/26/92/621792692.db2.gz RYOUEJIZUFQNRX-FQEVSTJZSA-N 0 3 323.440 3.159 20 10 DGCDHN COc1cc(Cl)c(CNCc2ccccc2O)cc1OC ZINC000865441409 621922243 /nfs/dbraw/zinc/92/22/43/621922243.db2.gz CYNNYIFFGDIETP-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN C[C@H](NCc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000865712213 621981510 /nfs/dbraw/zinc/98/15/10/621981510.db2.gz YADMNMJLJUHEQE-SWLSCSKDSA-N 0 3 316.367 3.078 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c([O-])c1 ZINC000865762314 621990674 /nfs/dbraw/zinc/99/06/74/621990674.db2.gz NOCMNHYKKIKNAG-MAUKXSAKSA-N 0 3 305.418 3.086 20 10 DGCDHN CC[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866465792 622122652 /nfs/dbraw/zinc/12/26/52/622122652.db2.gz VKIYWPRTXUYCPQ-LEWSCRJBSA-N 0 3 304.356 3.105 20 10 DGCDHN COc1ccc([C@@H](CCO)NCc2ccc(OC)c(C)c2)cc1 ZINC000763496001 622147990 /nfs/dbraw/zinc/14/79/90/622147990.db2.gz LVOFAGIDZAIPNX-GOSISDBHSA-N 0 3 315.413 3.226 20 10 DGCDHN C[C@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[S@@](C)=O ZINC000765287112 622256997 /nfs/dbraw/zinc/25/69/97/622256997.db2.gz SARODSSTLINOAC-JLCFBVMHSA-N 0 3 317.454 3.306 20 10 DGCDHN CC[C@H]1CN(Cc2cc(C)c(C)cc2O)CCN1CC(F)F ZINC000765721055 622283957 /nfs/dbraw/zinc/28/39/57/622283957.db2.gz OCXLOMRXMUCUOD-HNNXBMFYSA-N 0 3 312.404 3.170 20 10 DGCDHN NC(=O)C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CCCC1 ZINC000768258151 622447529 /nfs/dbraw/zinc/44/75/29/622447529.db2.gz QVVPTAVXHVNLOW-UHFFFAOYSA-N 0 3 324.424 3.289 20 10 DGCDHN NC(=O)C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CCCC1 ZINC000768258151 622447530 /nfs/dbraw/zinc/44/75/30/622447530.db2.gz QVVPTAVXHVNLOW-UHFFFAOYSA-N 0 3 324.424 3.289 20 10 DGCDHN CCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437839 622455649 /nfs/dbraw/zinc/45/56/49/622455649.db2.gz KFVWITPBUYYFHF-SFHVURJKSA-N 0 3 313.397 3.230 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437839 622455650 /nfs/dbraw/zinc/45/56/50/622455650.db2.gz KFVWITPBUYYFHF-SFHVURJKSA-N 0 3 313.397 3.230 20 10 DGCDHN C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768443047 622456289 /nfs/dbraw/zinc/45/62/89/622456289.db2.gz YBQMOZWONSGMHX-PBHICJAKSA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768443047 622456291 /nfs/dbraw/zinc/45/62/91/622456291.db2.gz YBQMOZWONSGMHX-PBHICJAKSA-N 0 3 324.424 3.145 20 10 DGCDHN CC[N@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441154 622456463 /nfs/dbraw/zinc/45/64/63/622456463.db2.gz WHRLZWZBJQTWOU-SFHVURJKSA-N 0 3 313.397 3.149 20 10 DGCDHN CC[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441154 622456464 /nfs/dbraw/zinc/45/64/64/622456464.db2.gz WHRLZWZBJQTWOU-SFHVURJKSA-N 0 3 313.397 3.149 20 10 DGCDHN CC(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768449274 622456818 /nfs/dbraw/zinc/45/68/18/622456818.db2.gz ZABGVBPIQVSICB-DYVFJYSZSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768449274 622456821 /nfs/dbraw/zinc/45/68/21/622456821.db2.gz ZABGVBPIQVSICB-DYVFJYSZSA-N 0 3 305.418 3.076 20 10 DGCDHN C[C@@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccccc1 ZINC000768449045 622456834 /nfs/dbraw/zinc/45/68/34/622456834.db2.gz DARQYBBEQLIJHF-SCLBCKFNSA-N 0 3 313.397 3.054 20 10 DGCDHN C[C@@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccccc1 ZINC000768449045 622456836 /nfs/dbraw/zinc/45/68/36/622456836.db2.gz DARQYBBEQLIJHF-SCLBCKFNSA-N 0 3 313.397 3.054 20 10 DGCDHN CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768446238 622456870 /nfs/dbraw/zinc/45/68/70/622456870.db2.gz LROPACMFOGHOBO-RHSMWYFYSA-N 0 3 319.445 3.466 20 10 DGCDHN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768446238 622456872 /nfs/dbraw/zinc/45/68/72/622456872.db2.gz LROPACMFOGHOBO-RHSMWYFYSA-N 0 3 319.445 3.466 20 10 DGCDHN CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445158 622457190 /nfs/dbraw/zinc/45/71/90/622457190.db2.gz QEYVBTQFPLLXSW-XJKSGUPXSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445158 622457192 /nfs/dbraw/zinc/45/71/92/622457192.db2.gz QEYVBTQFPLLXSW-XJKSGUPXSA-N 0 3 305.418 3.219 20 10 DGCDHN CN(C)c1ccc(CN(CCCO)Cc2ccccc2)cc1F ZINC000769325725 622517530 /nfs/dbraw/zinc/51/75/30/622517530.db2.gz AAASIADKORYGJC-UHFFFAOYSA-N 0 3 316.420 3.276 20 10 DGCDHN O=C(c1cccc(CN2CCCC2)c1)N1Cc2cccc(O)c2C1 ZINC000871200520 622566650 /nfs/dbraw/zinc/56/66/50/622566650.db2.gz DWGCMNMBDFPRFA-UHFFFAOYSA-N 0 3 322.408 3.144 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]CCc2ccco2)c1[O-] ZINC000123564360 622595511 /nfs/dbraw/zinc/59/55/11/622595511.db2.gz RCKORLCETYORKC-UHFFFAOYSA-N 0 3 310.191 3.388 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000770319738 622620876 /nfs/dbraw/zinc/62/08/76/622620876.db2.gz BGCYEBNKSIWDPJ-XJKSGUPXSA-N 0 3 317.385 3.082 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000770319738 622620878 /nfs/dbraw/zinc/62/08/78/622620878.db2.gz BGCYEBNKSIWDPJ-XJKSGUPXSA-N 0 3 317.385 3.082 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)CC2 ZINC000872129179 622823530 /nfs/dbraw/zinc/82/35/30/622823530.db2.gz VWBJZZHCAPSVRS-CVEARBPZSA-N 0 3 317.816 3.226 20 10 DGCDHN CCn1nc(C)c(CN(C)Cc2cc(C)cc(C)c2O)c1C ZINC000872632121 622945318 /nfs/dbraw/zinc/94/53/18/622945318.db2.gz FUEJRYOFGXIDHN-UHFFFAOYSA-N 0 3 301.434 3.474 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](C(C)=O)C3)c2c1 ZINC000872801133 622981119 /nfs/dbraw/zinc/98/11/19/622981119.db2.gz WFYDPDBSMSEDQV-HNNXBMFYSA-N 0 3 313.397 3.355 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](C(C)=O)C3)c2c1 ZINC000872801133 622981121 /nfs/dbraw/zinc/98/11/21/622981121.db2.gz WFYDPDBSMSEDQV-HNNXBMFYSA-N 0 3 313.397 3.355 20 10 DGCDHN CCCOc1ccc(CNCc2ccc(C(N)=O)cc2)cc1C ZINC000873007679 623015963 /nfs/dbraw/zinc/01/59/63/623015963.db2.gz ZOGMDTHHOVPPKO-UHFFFAOYSA-N 0 3 312.413 3.173 20 10 DGCDHN CCC(C)(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774480462 623150480 /nfs/dbraw/zinc/15/04/80/623150480.db2.gz CCYIKESFWSLIGM-KBPBESRZSA-N 0 3 305.466 3.097 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774484876 623151502 /nfs/dbraw/zinc/15/15/02/623151502.db2.gz SXAWVHWDDSXCFS-RRFJBIMHSA-N 0 3 305.466 3.097 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1[O-] ZINC000775522171 623284197 /nfs/dbraw/zinc/28/41/97/623284197.db2.gz LDLBOTKTEMNQIL-HOCLYGCPSA-N 0 3 305.418 3.161 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)c1ccccc1[O-] ZINC000775525840 623284845 /nfs/dbraw/zinc/28/48/45/623284845.db2.gz ODVWRKWAOUPCAZ-YOEHRIQHSA-N 0 3 313.397 3.445 20 10 DGCDHN COCCN(Cc1cccs1)Cc1cc(OC)ccc1O ZINC000775644994 623302365 /nfs/dbraw/zinc/30/23/65/623302365.db2.gz ZSRVJIADGUUWMY-UHFFFAOYSA-N 0 3 307.415 3.111 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1[O-] ZINC000775674446 623311239 /nfs/dbraw/zinc/31/12/39/623311239.db2.gz BNIUGWOYWNFKPY-OAHLLOKOSA-N 0 3 305.809 3.388 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1[O-] ZINC000775674446 623311245 /nfs/dbraw/zinc/31/12/45/623311245.db2.gz BNIUGWOYWNFKPY-OAHLLOKOSA-N 0 3 305.809 3.388 20 10 DGCDHN CN1CCCC[C@H]1CC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717052 623318484 /nfs/dbraw/zinc/31/84/84/623318484.db2.gz QKLGDDRDWJNDTD-AWEZNQCLSA-N 0 3 314.832 3.491 20 10 DGCDHN CN1CCCC[C@H]1CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717052 623318488 /nfs/dbraw/zinc/31/84/88/623318488.db2.gz QKLGDDRDWJNDTD-AWEZNQCLSA-N 0 3 314.832 3.491 20 10 DGCDHN CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717052 623318491 /nfs/dbraw/zinc/31/84/91/623318491.db2.gz QKLGDDRDWJNDTD-AWEZNQCLSA-N 0 3 314.832 3.491 20 10 DGCDHN CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717052 623318494 /nfs/dbraw/zinc/31/84/94/623318494.db2.gz QKLGDDRDWJNDTD-AWEZNQCLSA-N 0 3 314.832 3.491 20 10 DGCDHN CCCN(CCC)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834180 623339202 /nfs/dbraw/zinc/33/92/02/623339202.db2.gz LEIXCONQSVTPRH-HNNXBMFYSA-N 0 3 305.466 3.052 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)COc2ccccc2)c([O-])c1 ZINC000776175410 623390240 /nfs/dbraw/zinc/39/02/40/623390240.db2.gz YYASGGYEHVVVFP-AWEZNQCLSA-N 0 3 301.386 3.348 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1 ZINC000776948546 623478602 /nfs/dbraw/zinc/47/86/02/623478602.db2.gz FKSXFNCWOLXYMZ-WBVHZDCISA-N 0 3 307.434 3.474 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778188745 623622192 /nfs/dbraw/zinc/62/21/92/623622192.db2.gz INGMDFADSUHGQH-SFHVURJKSA-N 0 3 319.408 3.360 20 10 DGCDHN CCOc1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000778212929 623625884 /nfs/dbraw/zinc/62/58/84/623625884.db2.gz HATRDQCUIHDHAX-IBGZPJMESA-N 0 3 315.413 3.178 20 10 DGCDHN Cc1cccc(O)c1CN1CCN(c2nc3ccccc3o2)CC1 ZINC000876700667 623685848 /nfs/dbraw/zinc/68/58/48/623685848.db2.gz XCBQCYVSDBHAOA-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876814311 623714780 /nfs/dbraw/zinc/71/47/80/623714780.db2.gz LOAMWJAVLLUPBT-HNNXBMFYSA-N 0 3 305.418 3.256 20 10 DGCDHN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876814311 623714785 /nfs/dbraw/zinc/71/47/85/623714785.db2.gz LOAMWJAVLLUPBT-HNNXBMFYSA-N 0 3 305.418 3.256 20 10 DGCDHN Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2)c(O)c1 ZINC000876838497 623725091 /nfs/dbraw/zinc/72/50/91/623725091.db2.gz KYIITHMOWRLMBZ-UHFFFAOYSA-N 0 3 311.429 3.065 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000779080908 623728574 /nfs/dbraw/zinc/72/85/74/623728574.db2.gz FUJPKJPFWGQUDQ-UHFFFAOYSA-N 0 3 301.361 3.327 20 10 DGCDHN COc1ccc(CC[NH2+]Cc2c(C)cccc2[O-])cc1OC ZINC000876893498 623738235 /nfs/dbraw/zinc/73/82/35/623738235.db2.gz LJNNTHGAIMDQGN-UHFFFAOYSA-N 0 3 301.386 3.050 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000876920408 623744032 /nfs/dbraw/zinc/74/40/32/623744032.db2.gz QLFKOURRHANJGJ-UHFFFAOYSA-N 0 3 324.468 3.497 20 10 DGCDHN CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000876996470 623763028 /nfs/dbraw/zinc/76/30/28/623763028.db2.gz VFEQIVIFINJENW-UHFFFAOYSA-N 0 3 308.422 3.033 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1F ZINC000779432107 623769600 /nfs/dbraw/zinc/76/96/00/623769600.db2.gz KOWPMHVDHRIWMS-PBHICJAKSA-N 0 3 308.441 3.121 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2cccc(OC(C)C)c2)c([O-])c1 ZINC000877034979 623771520 /nfs/dbraw/zinc/77/15/20/623771520.db2.gz AJRXQYHYQFLFRD-LJQANCHMSA-N 0 3 315.413 3.311 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000877036599 623772438 /nfs/dbraw/zinc/77/24/38/623772438.db2.gz RIWBGHIBSKROSX-IBGZPJMESA-N 0 3 315.413 3.311 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)c([O-])c1 ZINC000877042083 623773458 /nfs/dbraw/zinc/77/34/58/623773458.db2.gz MGFZQALSIDRXOO-IBGZPJMESA-N 0 3 315.413 3.311 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000877096063 623790792 /nfs/dbraw/zinc/79/07/92/623790792.db2.gz WRHSGBSIXMEXNL-ZDUSSCGKSA-N 0 3 317.820 3.118 20 10 DGCDHN COc1ccc(COCC[NH2+]Cc2c(C)cccc2[O-])cc1 ZINC000877133419 623800678 /nfs/dbraw/zinc/80/06/78/623800678.db2.gz JIDJYSHWEXPFTJ-UHFFFAOYSA-N 0 3 301.386 3.016 20 10 DGCDHN COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877175043 623818224 /nfs/dbraw/zinc/81/82/24/623818224.db2.gz XFOIXEQUCBVPJL-AWEZNQCLSA-N 0 3 305.418 3.112 20 10 DGCDHN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877175043 623818235 /nfs/dbraw/zinc/81/82/35/623818235.db2.gz XFOIXEQUCBVPJL-AWEZNQCLSA-N 0 3 305.418 3.112 20 10 DGCDHN CCOc1ccc(CN[C@@H](CCOC)c2ccco2)c(O)c1 ZINC000779990515 623845952 /nfs/dbraw/zinc/84/59/52/623845952.db2.gz HIBNHZORYGBTEZ-HNNXBMFYSA-N 0 3 305.374 3.251 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c([O-])c1 ZINC000877374858 623860451 /nfs/dbraw/zinc/86/04/51/623860451.db2.gz PPTLKVKCHJGYGT-QGZVFWFLSA-N 0 3 305.805 3.351 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000877374582 623861377 /nfs/dbraw/zinc/86/13/77/623861377.db2.gz KRNLTBOTUJZUEK-KRWDZBQOSA-N 0 3 305.805 3.351 20 10 DGCDHN COc1ccc(C2CC[NH+](Cc3ccc(C)cc3[O-])CC2)nc1 ZINC000877608957 623960592 /nfs/dbraw/zinc/96/05/92/623960592.db2.gz ARILAANQVANAFN-UHFFFAOYSA-N 0 3 312.413 3.484 20 10 DGCDHN COc1ccc(C2CC[NH+](Cc3c(C)cccc3[O-])CC2)nc1 ZINC000877609963 623960636 /nfs/dbraw/zinc/96/06/36/623960636.db2.gz OQBXUBXSEDSTNK-UHFFFAOYSA-N 0 3 312.413 3.484 20 10 DGCDHN COCC1(C2CC2)CN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000877686135 623992842 /nfs/dbraw/zinc/99/28/42/623992842.db2.gz LTWCOCNTOHXVKD-SNAWJCMRSA-N 0 3 300.446 3.124 20 10 DGCDHN COc1cccc(CC[NH2+][C@@H](C)c2ccccc2[O-])c1OC ZINC000783504902 624360051 /nfs/dbraw/zinc/36/00/51/624360051.db2.gz ORYBPKQVTUZBNT-ZDUSSCGKSA-N 0 3 301.386 3.303 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1[O-] ZINC000879648030 624621439 /nfs/dbraw/zinc/62/14/39/624621439.db2.gz WHHKOAACEFWGJB-CABCVRRESA-N 0 3 312.413 3.262 20 10 DGCDHN COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648693 624621458 /nfs/dbraw/zinc/62/14/58/624621458.db2.gz ZMVLYLHHLDZVPL-CYBMUJFWSA-N 0 3 314.385 3.080 20 10 DGCDHN COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647888 624621546 /nfs/dbraw/zinc/62/15/46/624621546.db2.gz PGYPXXNFRHLPPJ-OLZOCXBDSA-N 0 3 314.385 3.079 20 10 DGCDHN Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649222 624622546 /nfs/dbraw/zinc/62/25/46/624622546.db2.gz OHZWCBWDCADBMU-CABCVRRESA-N 0 3 312.413 3.056 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879649076 624622565 /nfs/dbraw/zinc/62/25/65/624622565.db2.gz LHVKVBWBSJJRPJ-KDOFPFPSSA-N 0 3 324.424 3.237 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1[O-] ZINC000879649647 624623035 /nfs/dbraw/zinc/62/30/35/624623035.db2.gz RPNFNBARLZOHRF-CYBMUJFWSA-N 0 3 310.397 3.170 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccccc1[O-] ZINC000879649359 624623042 /nfs/dbraw/zinc/62/30/42/624623042.db2.gz RCRHSFVUAYXCAR-CHWSQXEVSA-N 0 3 321.804 3.136 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N(C)Cc1ccccc1 ZINC000879652004 624624284 /nfs/dbraw/zinc/62/42/84/624624284.db2.gz SUBRVEJGMGVFDN-LSDHHAIUSA-N 0 3 312.413 3.090 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CN(C2CCCCC2)C(=O)O1)c1ccccc1[O-] ZINC000879650312 624624775 /nfs/dbraw/zinc/62/47/75/624624775.db2.gz SVNGJWLTQYWAIL-ZFWWWQNUSA-N 0 3 318.417 3.196 20 10 DGCDHN CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879652333 624626341 /nfs/dbraw/zinc/62/63/41/624626341.db2.gz CJAXQROUOKCSKR-HNNXBMFYSA-N 0 3 312.413 3.484 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000879653991 624626743 /nfs/dbraw/zinc/62/67/43/624626743.db2.gz ZXCQMSJMXKTYFX-LJISPDSOSA-N 0 3 304.434 3.221 20 10 DGCDHN COC(C)(C)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000787259975 624992716 /nfs/dbraw/zinc/99/27/16/624992716.db2.gz MKCCREFCAXAPFW-MRXNPFEDSA-N 0 3 307.434 3.188 20 10 DGCDHN COC(C)(C)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000787259975 624992718 /nfs/dbraw/zinc/99/27/18/624992718.db2.gz MKCCREFCAXAPFW-MRXNPFEDSA-N 0 3 307.434 3.188 20 10 DGCDHN CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccnn1C ZINC000788257570 625105277 /nfs/dbraw/zinc/10/52/77/625105277.db2.gz AHHXEVZGESLKGL-WFASDCNBSA-N 0 3 305.397 3.355 20 10 DGCDHN CCn1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1=O ZINC000788605646 625225324 /nfs/dbraw/zinc/22/53/24/625225324.db2.gz BBEUQAHKRWOLMV-RISCZKNCSA-N 0 3 316.376 3.051 20 10 DGCDHN C[NH+](C)C1(CNCc2c([O-])ccc(Cl)c2F)CCCC1 ZINC000790947595 625720561 /nfs/dbraw/zinc/72/05/61/625720561.db2.gz TXEWPQVSZOBIPW-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000790996643 625734293 /nfs/dbraw/zinc/73/42/93/625734293.db2.gz ZKOGFZVMMSYFBW-CQSZACIVSA-N 0 3 305.418 3.372 20 10 DGCDHN CCCN(CC(=O)N(C(C)C)C(C)C)Cc1ccccc1O ZINC000130728576 625896789 /nfs/dbraw/zinc/89/67/89/625896789.db2.gz OQJZYAYVCTVLMG-UHFFFAOYSA-N 0 3 306.450 3.250 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000883085166 625921554 /nfs/dbraw/zinc/92/15/54/625921554.db2.gz KGOKKKSHFVCPSP-CHWSQXEVSA-N 0 3 324.415 3.413 20 10 DGCDHN CCOc1ccc(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000792192989 625923035 /nfs/dbraw/zinc/92/30/35/625923035.db2.gz PGBPNIHGGHHJQR-GDBMZVCRSA-N 0 3 307.434 3.428 20 10 DGCDHN CCOc1ccc(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000792192989 625923038 /nfs/dbraw/zinc/92/30/38/625923038.db2.gz PGBPNIHGGHHJQR-GDBMZVCRSA-N 0 3 307.434 3.428 20 10 DGCDHN CCC[N@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1[O-] ZINC000792231031 625928736 /nfs/dbraw/zinc/92/87/36/625928736.db2.gz FFIGCARZSASTID-UHFFFAOYSA-N 0 3 313.401 3.028 20 10 DGCDHN CCC[N@@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1[O-] ZINC000792231031 625928742 /nfs/dbraw/zinc/92/87/42/625928742.db2.gz FFIGCARZSASTID-UHFFFAOYSA-N 0 3 313.401 3.028 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]2C)c1[O-] ZINC000796525188 626058837 /nfs/dbraw/zinc/05/88/37/626058837.db2.gz BRZJMUSOTDHQEM-GZMMTYOYSA-N 0 3 300.196 3.051 20 10 DGCDHN COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000797077239 626110835 /nfs/dbraw/zinc/11/08/35/626110835.db2.gz VMFPVYZXNAMLOI-LBPRGKRZSA-N 0 3 300.358 3.421 20 10 DGCDHN C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000799728569 626324802 /nfs/dbraw/zinc/32/48/02/626324802.db2.gz CKWOEPPKJUAMGC-CJNGLKHVSA-N 0 3 303.377 3.176 20 10 DGCDHN CC(C)COCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000800356773 626353601 /nfs/dbraw/zinc/35/36/01/626353601.db2.gz WQIUCQKYLNCCKO-QGZVFWFLSA-N 0 3 307.434 3.046 20 10 DGCDHN CC(C)COCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000800356773 626353605 /nfs/dbraw/zinc/35/36/05/626353605.db2.gz WQIUCQKYLNCCKO-QGZVFWFLSA-N 0 3 307.434 3.046 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c([O-])c1 ZINC000800897234 626383735 /nfs/dbraw/zinc/38/37/35/626383735.db2.gz GTBREIPIRSKINQ-LJQANCHMSA-N 0 3 315.413 3.231 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c([O-])c1 ZINC000800897230 626383792 /nfs/dbraw/zinc/38/37/92/626383792.db2.gz GTBREIPIRSKINQ-IBGZPJMESA-N 0 3 315.413 3.231 20 10 DGCDHN COc1cc(CN(C)Cc2ccccc2N(C)C)c(O)cc1C ZINC000808235719 626807792 /nfs/dbraw/zinc/80/77/92/626807792.db2.gz CWJXQEAYBRKOBL-UHFFFAOYSA-N 0 3 314.429 3.407 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c1[O-] ZINC000808694054 626849745 /nfs/dbraw/zinc/84/97/45/626849745.db2.gz ZGSYAGLNRKKFDK-SWLSCSKDSA-N 0 3 308.853 3.489 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1[O-] ZINC000808695534 626850289 /nfs/dbraw/zinc/85/02/89/626850289.db2.gz ITDJDTNLMFMTFW-NSHDSACASA-N 0 3 310.825 3.050 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOc2cccnc2)c1[O-] ZINC000808696006 626850513 /nfs/dbraw/zinc/85/05/13/626850513.db2.gz MTSVZSLLFRUMMV-LBPRGKRZSA-N 0 3 306.793 3.479 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCSCC2)c1[O-] ZINC000808695737 626850558 /nfs/dbraw/zinc/85/05/58/626850558.db2.gz PKRYUDQJYDCVEB-GFCCVEGCSA-N 0 3 314.882 3.053 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)c1[O-] ZINC000808702135 626850915 /nfs/dbraw/zinc/85/09/15/626850915.db2.gz SGUGSJUTNZIMRS-OCCSQVGLSA-N 0 3 313.825 3.200 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c1[O-] ZINC000808701824 626851004 /nfs/dbraw/zinc/85/10/04/626851004.db2.gz JWKLOHAFBAEILM-WQGACYEGSA-N 0 3 308.853 3.487 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c1[O-] ZINC000808701823 626851184 /nfs/dbraw/zinc/85/11/84/626851184.db2.gz JWKLOHAFBAEILM-MQIPJXDCSA-N 0 3 308.853 3.487 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1[O-] ZINC000808707857 626851690 /nfs/dbraw/zinc/85/16/90/626851690.db2.gz AXQQACXKCGBOIN-SCZZXKLOSA-N 0 3 311.731 3.318 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1[O-] ZINC000808707577 626851839 /nfs/dbraw/zinc/85/18/39/626851839.db2.gz SMDFLTISALHWKH-SMDDNHRTSA-N 0 3 310.825 3.014 20 10 DGCDHN Cn1ncc2c1CCC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC000840174524 626911498 /nfs/dbraw/zinc/91/14/98/626911498.db2.gz BSOXAYNSSVQUQT-UHFFFAOYSA-N 0 3 307.397 3.227 20 10 DGCDHN Cn1ncc2c1CCC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC000840174524 626911503 /nfs/dbraw/zinc/91/15/03/626911503.db2.gz BSOXAYNSSVQUQT-UHFFFAOYSA-N 0 3 307.397 3.227 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC3(CC(OCC)C3)C2)c([O-])c1 ZINC000809707922 626939346 /nfs/dbraw/zinc/93/93/46/626939346.db2.gz SFURPEBVXURQMU-UHFFFAOYSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC3(CC(OCC)C3)C2)c([O-])c1 ZINC000809707922 626939349 /nfs/dbraw/zinc/93/93/49/626939349.db2.gz SFURPEBVXURQMU-UHFFFAOYSA-N 0 3 305.418 3.182 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809767274 626949006 /nfs/dbraw/zinc/94/90/06/626949006.db2.gz IGEDZAPEOSWXKV-MRXNPFEDSA-N 0 3 307.397 3.407 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809767274 626949010 /nfs/dbraw/zinc/94/90/10/626949010.db2.gz IGEDZAPEOSWXKV-MRXNPFEDSA-N 0 3 307.397 3.407 20 10 DGCDHN CCCC[C@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000810124944 626978313 /nfs/dbraw/zinc/97/83/13/626978313.db2.gz LHCXKPSVHIBLBY-INIZCTEOSA-N 0 3 319.493 3.222 20 10 DGCDHN CCOc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000810161225 626982898 /nfs/dbraw/zinc/98/28/98/626982898.db2.gz GORFGQWQLFPRTR-INIZCTEOSA-N 0 3 321.804 3.268 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000810161225 626982900 /nfs/dbraw/zinc/98/29/00/626982900.db2.gz GORFGQWQLFPRTR-INIZCTEOSA-N 0 3 321.804 3.268 20 10 DGCDHN COCC[C@@H](COC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000810173620 626984499 /nfs/dbraw/zinc/98/44/99/626984499.db2.gz GTCGUCSFKAMLOK-SFHVURJKSA-N 0 3 315.413 3.200 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000810252774 626993216 /nfs/dbraw/zinc/99/32/16/626993216.db2.gz JAGDGZACBXOBJP-CMPLNLGQSA-N 0 3 305.809 3.285 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@](C)(O)C(F)F ZINC000885940543 627065483 /nfs/dbraw/zinc/06/54/83/627065483.db2.gz MAZIUVFKHZZODO-KRWDZBQOSA-N 0 3 312.404 3.125 20 10 DGCDHN C[C@@H](N[C@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000886513146 627155584 /nfs/dbraw/zinc/15/55/84/627155584.db2.gz VHPZPYJLJWCSHK-BEFAXECRSA-N 0 3 323.440 3.256 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1)c1ccccc1[O-] ZINC000886764388 627201613 /nfs/dbraw/zinc/20/16/13/627201613.db2.gz RSPIALFMEBVIAU-DNUAJFIVSA-N 0 3 305.418 3.160 20 10 DGCDHN COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H]1CCCOC1 ZINC000886788739 627204471 /nfs/dbraw/zinc/20/44/71/627204471.db2.gz HZJJHGJHRATDOQ-GBOPCIDUSA-N 0 3 323.408 3.111 20 10 DGCDHN C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000814178351 627546923 /nfs/dbraw/zinc/54/69/23/627546923.db2.gz MZDYZQBOQGIRAV-AWEZNQCLSA-N 0 3 300.377 3.242 20 10 DGCDHN C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccccc1[O-] ZINC000814178351 627546925 /nfs/dbraw/zinc/54/69/25/627546925.db2.gz MZDYZQBOQGIRAV-AWEZNQCLSA-N 0 3 300.377 3.242 20 10 DGCDHN Cc1cc(CN[C@]2(CO)CCCc3ccccc32)ccc1N(C)C ZINC000815107099 627627605 /nfs/dbraw/zinc/62/76/05/627627605.db2.gz GCYKFHNXIQFXJA-NRFANRHFSA-N 0 3 324.468 3.375 20 10 DGCDHN CCN(C)c1ccc(CN2CC=C(c3ccnn3C)CC2)cc1 ZINC000815116403 627629368 /nfs/dbraw/zinc/62/93/68/627629368.db2.gz LRFANTRWGXPNFA-UHFFFAOYSA-N 0 3 310.445 3.166 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000925777875 627794025 /nfs/dbraw/zinc/79/40/25/627794025.db2.gz RGYSPTAYRLMUKL-ZWNOBZJWSA-N 0 3 318.795 3.331 20 10 DGCDHN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CN1CCCCC1 ZINC000816536800 627803902 /nfs/dbraw/zinc/80/39/02/627803902.db2.gz KIQLLZAMDCYZNO-LBPRGKRZSA-N 0 3 314.832 3.396 20 10 DGCDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2[O-])C1 ZINC000817415176 627896904 /nfs/dbraw/zinc/89/69/04/627896904.db2.gz TZLHNAHMRMEBQV-DZGCQCFKSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000817415176 627896908 /nfs/dbraw/zinc/89/69/08/627896908.db2.gz TZLHNAHMRMEBQV-DZGCQCFKSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)c2c1c(F)ccc2[O-] ZINC000817958410 627974932 /nfs/dbraw/zinc/97/49/32/627974932.db2.gz VJMMGFQZLXUIHF-NHYWBVRUSA-N 0 3 300.377 3.494 20 10 DGCDHN Cc1cc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])nn1C ZINC000926910936 627978102 /nfs/dbraw/zinc/97/81/02/627978102.db2.gz NMGRSQJZVRHMAS-LBPRGKRZSA-N 0 3 307.825 3.289 20 10 DGCDHN Cc1cc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])nn1C ZINC000926910933 627978287 /nfs/dbraw/zinc/97/82/87/627978287.db2.gz NMGRSQJZVRHMAS-GFCCVEGCSA-N 0 3 307.825 3.289 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969927 627979167 /nfs/dbraw/zinc/97/91/67/627979167.db2.gz IIMHSOVRTIMHRF-KWBADKCTSA-N 0 3 302.340 3.060 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970895 627980314 /nfs/dbraw/zinc/98/03/14/627980314.db2.gz GVZLGZJOHYTVPK-VWYCJHECSA-N 0 3 302.340 3.202 20 10 DGCDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000927142360 628025701 /nfs/dbraw/zinc/02/57/01/628025701.db2.gz KPTVTJZVUPHJNH-KPOBHBOGSA-N 0 3 310.441 3.452 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCCC2CCOCC2)c1[O-] ZINC000824477077 628664125 /nfs/dbraw/zinc/66/41/25/628664125.db2.gz BJAQNCRDIHPZPZ-UHFFFAOYSA-N 0 3 313.825 3.351 20 10 DGCDHN CC[C@](C)(C[NH2+]Cc1cc(Br)cc(C)c1[O-])OC ZINC000824743543 628688906 /nfs/dbraw/zinc/68/89/06/628688906.db2.gz FVFZKAZFTIUNNK-CQSZACIVSA-N 0 3 316.239 3.368 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000824798373 628694557 /nfs/dbraw/zinc/69/45/57/628694557.db2.gz DBCAGJYTHCWSRT-KSSFIOAISA-N 0 3 307.434 3.332 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@H](C)O ZINC000824922233 628707189 /nfs/dbraw/zinc/70/71/89/628707189.db2.gz YJCAYKQJYYWYDK-KBXCAEBGSA-N 0 3 315.413 3.220 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000825040491 628719497 /nfs/dbraw/zinc/71/94/97/628719497.db2.gz LHRLBWZPKRTQLY-KGLIPLIRSA-N 0 3 311.809 3.175 20 10 DGCDHN CC(C)(C[NH+]1CCCC1)NCc1c([O-])ccc(Cl)c1F ZINC000825326298 628749706 /nfs/dbraw/zinc/74/97/06/628749706.db2.gz MGAFZARMCGZWEG-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000826878161 628898941 /nfs/dbraw/zinc/89/89/41/628898941.db2.gz VPIQYGJKCYYMTI-SFHVURJKSA-N 0 3 313.397 3.240 20 10 DGCDHN C[C@H](COc1c(F)cccc1F)[NH2+]Cc1cc(F)ccc1[O-] ZINC000827099021 628921647 /nfs/dbraw/zinc/92/16/47/628921647.db2.gz OTKVRPYTEZRLFW-SNVBAGLBSA-N 0 3 311.303 3.367 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]CCc2ccoc2)c1[O-] ZINC000827229442 628939127 /nfs/dbraw/zinc/93/91/27/628939127.db2.gz DPNBVHYKSXFFIF-UHFFFAOYSA-N 0 3 310.191 3.388 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]CC2(O)CCC(F)(F)CC2)c1[O-] ZINC000827649252 628980044 /nfs/dbraw/zinc/98/00/44/628980044.db2.gz HWFVNNOYZSAKGZ-UHFFFAOYSA-N 0 3 319.779 3.384 20 10 DGCDHN CCCNC(=O)c1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834513648 629719684 /nfs/dbraw/zinc/71/96/84/629719684.db2.gz NTTBRTYLUKLJRN-KRWDZBQOSA-N 0 3 324.424 3.309 20 10 DGCDHN COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834606211 629739189 /nfs/dbraw/zinc/73/91/89/629739189.db2.gz GGJZAUQNXZPYRR-CXAGYDPISA-N 0 3 313.397 3.445 20 10 DGCDHN COc1cccc(OCCC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834664876 629751190 /nfs/dbraw/zinc/75/11/90/629751190.db2.gz XBHGUOSCYROCBP-QGZVFWFLSA-N 0 3 313.397 3.447 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H](O)c1cccc(F)c1 ZINC000834676471 629754911 /nfs/dbraw/zinc/75/49/11/629754911.db2.gz UXZFJPWUQALSPV-GEWABHDNSA-N 0 3 301.361 3.230 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOc1ncccc1Cl)CC2 ZINC000834680930 629755808 /nfs/dbraw/zinc/75/58/08/629755808.db2.gz PFSDZBZRFFXBIP-ZDUSSCGKSA-N 0 3 304.777 3.097 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C1(c3ccc4c(c3)OCO4)CC1)CC2 ZINC000834729197 629767909 /nfs/dbraw/zinc/76/79/09/629767909.db2.gz ATDDHJOFROLWEQ-CQSZACIVSA-N 0 3 309.365 3.387 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)CC2 ZINC000834803015 629782029 /nfs/dbraw/zinc/78/20/29/629782029.db2.gz IGUZGZSFSIUMHX-ABSDTBQOSA-N 0 3 309.409 3.135 20 10 DGCDHN COc1ccc(CNC/C=C\c2ccc(N(C)C)cc2)cc1O ZINC000835037695 629831546 /nfs/dbraw/zinc/83/15/46/629831546.db2.gz SDYBMIQKWVVACS-PLNGDYQASA-N 0 3 312.413 3.270 20 10 DGCDHN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 ZINC000835040373 629831894 /nfs/dbraw/zinc/83/18/94/629831894.db2.gz OWCRUTFBDFXWAJ-KXPUMZMLSA-N 0 3 323.440 3.383 20 10 DGCDHN CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@@H](O)C(F)(F)F ZINC000835042040 629832844 /nfs/dbraw/zinc/83/28/44/629832844.db2.gz QJTPLVSVVJDIEX-ICWYTKJFSA-N 0 3 316.367 3.057 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000835051834 629836908 /nfs/dbraw/zinc/83/69/08/629836908.db2.gz KIQLLCKDSYVLKW-WUUFJKRQSA-N 0 3 323.440 3.314 20 10 DGCDHN COc1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c([O-])c1 ZINC000835053245 629837513 /nfs/dbraw/zinc/83/75/13/629837513.db2.gz UVMZAZQLNMBNQY-SNAWJCMRSA-N 0 3 312.413 3.270 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000840895419 630374644 /nfs/dbraw/zinc/37/46/44/630374644.db2.gz LRNBEAAHXAZSIL-GRDNDAEWSA-N 0 3 303.446 3.473 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000840956102 630385109 /nfs/dbraw/zinc/38/51/09/630385109.db2.gz AWWBLKDFEPLMET-SJLPKXTDSA-N 0 3 313.397 3.099 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000840956102 630385113 /nfs/dbraw/zinc/38/51/13/630385113.db2.gz AWWBLKDFEPLMET-SJLPKXTDSA-N 0 3 313.397 3.099 20 10 DGCDHN CC(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000841034934 630400068 /nfs/dbraw/zinc/40/00/68/630400068.db2.gz FJJIGRHHHMEQMQ-KRWDZBQOSA-N 0 3 302.393 3.444 20 10 DGCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301409 630425382 /nfs/dbraw/zinc/42/53/82/630425382.db2.gz NYKIPSDVMQPWHV-RDTXWAMCSA-N 0 3 324.428 3.226 20 10 DGCDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301407 630425669 /nfs/dbraw/zinc/42/56/69/630425669.db2.gz NYKIPSDVMQPWHV-KDOFPFPSSA-N 0 3 324.428 3.226 20 10 DGCDHN C[C@H](NC(=O)Nc1ccc2c(c1)CNC2)c1ccc(N(C)C)cc1 ZINC000841333638 630429515 /nfs/dbraw/zinc/42/95/15/630429515.db2.gz ZWSZHWWODDQJPO-ZDUSSCGKSA-N 0 3 324.428 3.239 20 10 DGCDHN COC1(C(F)(F)F)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000841888549 630472969 /nfs/dbraw/zinc/47/29/69/630472969.db2.gz LNXSMOOQPXVWMA-UHFFFAOYSA-N 0 3 316.367 3.296 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCOCC1CCC1)C[C@H]1CCCO1 ZINC000842152883 630499197 /nfs/dbraw/zinc/49/91/97/630499197.db2.gz JYNVNFRYZYHPOH-GOSISDBHSA-N 0 3 319.445 3.190 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCOCC1CCC1)C[C@H]1CCCO1 ZINC000842152883 630499198 /nfs/dbraw/zinc/49/91/98/630499198.db2.gz JYNVNFRYZYHPOH-GOSISDBHSA-N 0 3 319.445 3.190 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)c1[O-] ZINC000842930714 630594789 /nfs/dbraw/zinc/59/47/89/630594789.db2.gz ZOBZFXQAQMPVIH-JBLDHEPKSA-N 0 3 314.223 3.291 20 10 DGCDHN C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]1CC[NH3+] ZINC000844902102 630970572 /nfs/dbraw/zinc/97/05/72/630970572.db2.gz NKKKRONGSYQLHW-QMTHXVAHSA-N 0 3 300.805 3.134 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846102294 631209384 /nfs/dbraw/zinc/20/93/84/631209384.db2.gz LMFPNRYCBJOOSO-SNVBAGLBSA-N 0 3 304.217 3.464 20 10 DGCDHN C[C@H](O)[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000846181558 631213764 /nfs/dbraw/zinc/21/37/64/631213764.db2.gz CFEARDPGCRTEHO-GEWABHDNSA-N 0 3 301.361 3.230 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000846186541 631214210 /nfs/dbraw/zinc/21/42/10/631214210.db2.gz GXHFRWCPCPPBRF-ZJNRKIDTSA-N 0 3 303.377 3.478 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c([O-])c1 ZINC000846216017 631215227 /nfs/dbraw/zinc/21/52/27/631215227.db2.gz OVLCCZFHZOVROP-CZUORRHYSA-N 0 3 312.413 3.128 20 10 DGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)C)c1[O-] ZINC000848515256 631673539 /nfs/dbraw/zinc/67/35/39/631673539.db2.gz WWFKCYZCENFNEG-SECBINFHSA-N 0 3 302.212 3.470 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000848566022 631694796 /nfs/dbraw/zinc/69/47/96/631694796.db2.gz PMZQNXPOMUJZMW-UAOJZALGSA-N 0 3 310.441 3.452 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000848565990 631694862 /nfs/dbraw/zinc/69/48/62/631694862.db2.gz OUUSVWCNUXQVFU-CYBMUJFWSA-N 0 3 323.433 3.104 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000848568143 631695699 /nfs/dbraw/zinc/69/56/99/631695699.db2.gz ZKEATWMGWUGNCX-KJBZUCPPSA-N 0 3 308.425 3.014 20 10 DGCDHN COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000848573587 631698815 /nfs/dbraw/zinc/69/88/15/631698815.db2.gz WCEZKFWRQUGJNR-AWEZNQCLSA-N 0 3 313.397 3.267 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCC(F)(F)CC1 ZINC000848575264 631700250 /nfs/dbraw/zinc/70/02/50/631700250.db2.gz NJGWWLPCOGPOFL-SNVBAGLBSA-N 0 3 313.344 3.425 20 10 DGCDHN CCc1cccc(CN[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000848899547 631778547 /nfs/dbraw/zinc/77/85/47/631778547.db2.gz HOTKAOUKEXSXPA-INIZCTEOSA-N 0 3 305.805 3.431 20 10 DGCDHN CCc1cccc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000848901460 631780005 /nfs/dbraw/zinc/78/00/05/631780005.db2.gz SQBWVVFDTQBQFI-JTSKRJEESA-N 0 3 317.454 3.164 20 10 DGCDHN CCc1cccc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1O ZINC000848905293 631780772 /nfs/dbraw/zinc/78/07/72/631780772.db2.gz GGHJGJPEXCQRGX-VXGBXAGGSA-N 0 3 302.422 3.437 20 10 DGCDHN CCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000848915834 631785514 /nfs/dbraw/zinc/78/55/14/631785514.db2.gz MKJKXHXPXCVEFO-KZNAEPCWSA-N 0 3 303.446 3.470 20 10 DGCDHN CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000848915834 631785518 /nfs/dbraw/zinc/78/55/18/631785518.db2.gz MKJKXHXPXCVEFO-KZNAEPCWSA-N 0 3 303.446 3.470 20 10 DGCDHN CCOc1ccc(C[NH2+]CC(C)(C)C(O)(CC)CC)c([O-])c1 ZINC000850353857 632122629 /nfs/dbraw/zinc/12/26/29/632122629.db2.gz ODBCRVCPOKHOTC-UHFFFAOYSA-N 0 3 309.450 3.458 20 10 DGCDHN C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(F)ccc1[O-] ZINC000850485360 632167163 /nfs/dbraw/zinc/16/71/63/632167163.db2.gz GHNUQGZIPGADPL-QMMMGPOBSA-N 0 3 315.270 3.191 20 10 DGCDHN COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)cc1 ZINC000850486507 632167944 /nfs/dbraw/zinc/16/79/44/632167944.db2.gz IFHIQMORYNPHCY-CRAIPNDOSA-N 0 3 324.424 3.257 20 10 DGCDHN CC[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(C)cc1[O-] ZINC000850496240 632171413 /nfs/dbraw/zinc/17/14/13/632171413.db2.gz MKUBLIKZUQCLGW-XUSGNXJCSA-N 0 3 323.380 3.052 20 10 DGCDHN CC[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(C)cc1[O-] ZINC000850496239 632171630 /nfs/dbraw/zinc/17/16/30/632171630.db2.gz MKUBLIKZUQCLGW-QKVFXAPYSA-N 0 3 323.380 3.052 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000850559231 632193620 /nfs/dbraw/zinc/19/36/20/632193620.db2.gz YFNNXGSRUWZDKS-LSDHHAIUSA-N 0 3 318.461 3.307 20 10 DGCDHN COc1ccc(OCCC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000109771598 632316789 /nfs/dbraw/zinc/31/67/89/632316789.db2.gz TZFVFSVCFLYRBH-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN COc1ccc(OCCC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000109771598 632316791 /nfs/dbraw/zinc/31/67/91/632316791.db2.gz TZFVFSVCFLYRBH-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000186457370 660443410 /nfs/dbraw/zinc/44/34/10/660443410.db2.gz WESWTOPVHCWSRG-UGSOOPFHSA-N 0 3 302.393 3.312 20 10 DGCDHN COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000186752245 660573154 /nfs/dbraw/zinc/57/31/54/660573154.db2.gz QLZDIYUIRKVCDL-KGLIPLIRSA-N 0 3 320.433 3.218 20 10 DGCDHN CC[C@@H]([NH2+][C@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1[O-] ZINC000186750571 660573261 /nfs/dbraw/zinc/57/32/61/660573261.db2.gz BKRQDCHWJYWJSA-CZUORRHYSA-N 0 3 320.433 3.300 20 10 DGCDHN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccccc2[O-])CCCC1 ZINC000711053578 660939271 /nfs/dbraw/zinc/93/92/71/660939271.db2.gz VIXMJOQGHWMNHK-UHFFFAOYSA-N 0 3 320.433 3.319 20 10 DGCDHN COc1ccc(CNCc2ncccc2C(F)(F)F)c(O)c1 ZINC000793387321 661029365 /nfs/dbraw/zinc/02/93/65/661029365.db2.gz DATMOQYEADMDIB-UHFFFAOYSA-N 0 3 312.291 3.104 20 10 DGCDHN CCOC(=O)CC[N@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000065187780 655676335 /nfs/dbraw/zinc/67/63/35/655676335.db2.gz RSSQZWLRHPRDKM-UHFFFAOYSA-N 0 3 313.397 3.463 20 10 DGCDHN CCOC(=O)CC[N@@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000065187780 655676336 /nfs/dbraw/zinc/67/63/36/655676336.db2.gz RSSQZWLRHPRDKM-UHFFFAOYSA-N 0 3 313.397 3.463 20 10 DGCDHN CC[C@@H]([NH2+][C@H](CC(=O)NC)c1ccccc1)c1ccccc1[O-] ZINC000795849701 661175940 /nfs/dbraw/zinc/17/59/40/661175940.db2.gz QCSJXJNRQWSBJS-IAGOWNOFSA-N 0 3 312.413 3.310 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000716181094 661219542 /nfs/dbraw/zinc/21/95/42/661219542.db2.gz XSBMPXXFEYFZSO-PBHICJAKSA-N 0 3 314.404 3.456 20 10 DGCDHN COC(=O)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)s1 ZINC000182436231 656105753 /nfs/dbraw/zinc/10/57/53/656105753.db2.gz VRIDIGAFHMUUSZ-SNVBAGLBSA-N 0 3 321.398 3.100 20 10 DGCDHN CC1(C)CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000184669569 656120556 /nfs/dbraw/zinc/12/05/56/656120556.db2.gz JSVVYAQRKGQHRZ-IRXDYDNUSA-N 0 3 319.445 3.331 20 10 DGCDHN CC1(C)CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000184669569 656120557 /nfs/dbraw/zinc/12/05/57/656120557.db2.gz JSVVYAQRKGQHRZ-IRXDYDNUSA-N 0 3 319.445 3.331 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000724912011 656529733 /nfs/dbraw/zinc/52/97/33/656529733.db2.gz GWYOWXFCOZZJSA-UONOGXRCSA-N 0 3 320.433 3.361 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000724925215 656530453 /nfs/dbraw/zinc/53/04/53/656530453.db2.gz JUODFVNZULHSHF-WCQYABFASA-N 0 3 324.396 3.191 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000303268031 657525733 /nfs/dbraw/zinc/52/57/33/657525733.db2.gz FVYOKSWSBHEVBD-YOEHRIQHSA-N 0 3 314.404 3.456 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CC(C)C)N(C)C)c1[O-] ZINC000228670794 657999986 /nfs/dbraw/zinc/99/99/86/657999986.db2.gz GVHCRESQXOAZSE-AWEZNQCLSA-N 0 3 314.857 3.120 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000016075997 658303063 /nfs/dbraw/zinc/30/30/63/658303063.db2.gz UDKJLTDJDPJWGG-STQMWFEESA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc2ccc(O)c(CN3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000016075997 658303069 /nfs/dbraw/zinc/30/30/69/658303069.db2.gz UDKJLTDJDPJWGG-STQMWFEESA-N 0 3 301.386 3.163 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCN(c3cccs3)CC2)c1 ZINC000164487182 658936796 /nfs/dbraw/zinc/93/67/96/658936796.db2.gz AWGLHJYAMFVVBE-UHFFFAOYSA-N 0 3 302.443 3.393 20 10 DGCDHN [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC000228535415 659194441 /nfs/dbraw/zinc/19/44/41/659194441.db2.gz KPPIOEMCUDJPDM-GAJTVXKRSA-N 0 3 315.244 3.258 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCO[C@H](C)C3)c2c1 ZINC000172494737 659341263 /nfs/dbraw/zinc/34/12/63/659341263.db2.gz CWMQUCAKARQABY-CYBMUJFWSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCO[C@H](C)C3)c2c1 ZINC000172494737 659341270 /nfs/dbraw/zinc/34/12/70/659341270.db2.gz CWMQUCAKARQABY-CYBMUJFWSA-N 0 3 301.386 3.165 20 10 DGCDHN CCN(Cc1ccccc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000179574432 659933447 /nfs/dbraw/zinc/93/34/47/659933447.db2.gz KILPYDIEGXBXFU-QGZVFWFLSA-N 0 3 310.397 3.020 20 10 DGCDHN COc1ccc(OCC[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000179887331 659945599 /nfs/dbraw/zinc/94/55/99/659945599.db2.gz KUXFHODQXGETMG-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN COc1ccc(OCC[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000179887331 659945602 /nfs/dbraw/zinc/94/56/02/659945602.db2.gz KUXFHODQXGETMG-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+]C13CC4CC(CC(C4)C1)C3)OCO2 ZINC000238123171 659959228 /nfs/dbraw/zinc/95/92/28/659959228.db2.gz KTVZZPRHQZXMKU-UHFFFAOYSA-N 0 3 301.386 3.179 20 10 DGCDHN [NH3+]CCC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000070183605 660040916 /nfs/dbraw/zinc/04/09/16/660040916.db2.gz UURNXVQBLXBQNS-UHFFFAOYSA-N 0 3 303.233 3.260 20 10 DGCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCc2ccccc2C1 ZINC000183455708 660113695 /nfs/dbraw/zinc/11/36/95/660113695.db2.gz NVHOTRRHDOFQAY-HOTGVXAUSA-N 0 3 310.441 3.490 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183511399 660121050 /nfs/dbraw/zinc/12/10/50/660121050.db2.gz ZTTMKZAPVBBZKB-OLZOCXBDSA-N 0 3 306.406 3.052 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCC2(COC2)O1)C1CCCC1 ZINC000929635515 661322853 /nfs/dbraw/zinc/32/28/53/661322853.db2.gz NIUXIVMXHJWPOF-QGZVFWFLSA-N 0 3 317.429 3.085 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCC2(COC2)O1)C1CCCC1 ZINC000929635515 661322856 /nfs/dbraw/zinc/32/28/56/661322856.db2.gz NIUXIVMXHJWPOF-QGZVFWFLSA-N 0 3 317.429 3.085 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCC2(COC2)O1)C1CCCC1 ZINC000929635514 661322992 /nfs/dbraw/zinc/32/29/92/661322992.db2.gz NIUXIVMXHJWPOF-KRWDZBQOSA-N 0 3 317.429 3.085 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCC2(COC2)O1)C1CCCC1 ZINC000929635514 661322995 /nfs/dbraw/zinc/32/29/95/661322995.db2.gz NIUXIVMXHJWPOF-KRWDZBQOSA-N 0 3 317.429 3.085 20 10 DGCDHN c1cc(CN(Cc2ccc(N3CCOCC3)cc2)C2CC2)ccn1 ZINC000930112583 661367261 /nfs/dbraw/zinc/36/72/61/661367261.db2.gz XZOPMVRPPCVMMB-UHFFFAOYSA-N 0 3 323.440 3.083 20 10 DGCDHN CN(C)c1ccc(CNC2(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000933999880 661672503 /nfs/dbraw/zinc/67/25/03/661672503.db2.gz ZQGNBUCZLBCZQS-UHFFFAOYSA-N 0 3 324.424 3.303 20 10 DGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000155303661 661844876 /nfs/dbraw/zinc/84/48/76/661844876.db2.gz KMENGOQLUMQJMJ-KBPBESRZSA-N 0 3 317.458 3.392 20 10 DGCDHN CCOC(=O)CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000159062236 661882402 /nfs/dbraw/zinc/88/24/02/661882402.db2.gz XKTGQWQBWKAIMD-UHFFFAOYSA-N 0 3 322.424 3.057 20 10 DGCDHN Fc1ccc(CNCc2ccc(N3CCSCC3)cc2)cn1 ZINC000188994970 661957880 /nfs/dbraw/zinc/95/78/80/661957880.db2.gz RLNKAJCYAQUOPE-UHFFFAOYSA-N 0 3 317.433 3.064 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccc([S@@](C)=O)cc1 ZINC000085324840 662207491 /nfs/dbraw/zinc/20/74/91/662207491.db2.gz RJTLZBVZSAFONN-QFIPXVFZSA-N 0 3 316.470 3.088 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683576 662358223 /nfs/dbraw/zinc/35/82/23/662358223.db2.gz DLXIXOVNXNLOAW-AWEZNQCLSA-N 0 3 308.853 3.353 20 10 DGCDHN CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000381338134 685156705 /nfs/dbraw/zinc/15/67/05/685156705.db2.gz AXGTXBWHFDFFIO-IINYFYTJSA-N 0 3 301.814 3.205 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000390409094 685201475 /nfs/dbraw/zinc/20/14/75/685201475.db2.gz DWBWNGGWGJGWSN-SFHVURJKSA-N 0 3 319.408 3.414 20 10 DGCDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000398187764 685234954 /nfs/dbraw/zinc/23/49/54/685234954.db2.gz YPNLTPUOXPBHOJ-RDTXWAMCSA-N 0 3 324.428 3.053 20 10 DGCDHN C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC000399181849 685240080 /nfs/dbraw/zinc/24/00/80/685240080.db2.gz LWKFJBOEJGBVLO-UKRRQHHQSA-N 0 3 320.433 3.270 20 10 DGCDHN CC[C@H](NCc1c(C)c2ccccc2n1C)[C@H](O)C(F)(F)F ZINC001178369985 1177794622 /nfs/dbraw/zinc/79/46/22/1177794622.db2.gz SEHMJZDBWHIEHH-WFASDCNBSA-N 0 3 314.351 3.278 20 10 DGCDHN CCOc1ccc(N2CCN(C[C@H](O)CCC(C)C)CC2)cc1 ZINC001344438602 1179433146 /nfs/dbraw/zinc/43/31/46/1179433146.db2.gz FTBDNTJEWNBWRB-GOSISDBHSA-N 0 3 320.477 3.004 20 10 DGCDHN C[C@H](NCc1ccc(N)cc1)c1cccc(N2CCCC2=O)c1 ZINC001345160152 1179535831 /nfs/dbraw/zinc/53/58/31/1179535831.db2.gz SKCDDBFKZJNIDO-AWEZNQCLSA-N 0 3 309.413 3.246 20 10 DGCDHN C[C@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC001462463397 1182955933 /nfs/dbraw/zinc/95/59/33/1182955933.db2.gz VBQKJLZCGOHQJM-WBMJQRKESA-N 0 3 312.404 3.223 20 10 DGCDHN C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463397 1182955937 /nfs/dbraw/zinc/95/59/37/1182955937.db2.gz VBQKJLZCGOHQJM-WBMJQRKESA-N 0 3 312.404 3.223 20 10 DGCDHN C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463397 1182955942 /nfs/dbraw/zinc/95/59/42/1182955942.db2.gz VBQKJLZCGOHQJM-WBMJQRKESA-N 0 3 312.404 3.223 20 10 DGCDHN COC[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C(C)C ZINC001473262356 1183738047 /nfs/dbraw/zinc/73/80/47/1183738047.db2.gz WSWTUWVQTAUJFO-ZWKOTPCHSA-N 0 3 321.461 3.292 20 10 DGCDHN COC[C@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C(C)C ZINC001473262356 1183738050 /nfs/dbraw/zinc/73/80/50/1183738050.db2.gz WSWTUWVQTAUJFO-ZWKOTPCHSA-N 0 3 321.461 3.292 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2CC[C@H](C3CC3)O2)cc1F ZINC001621087443 1193484105 /nfs/dbraw/zinc/48/41/05/1193484105.db2.gz MBHSFOFALUBTDT-SUMWQHHRSA-N 0 3 310.388 3.078 20 10 DGCDHN CC[C@@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001616858750 1193549634 /nfs/dbraw/zinc/54/96/34/1193549634.db2.gz SLEUARWQWJGAPT-CRAIPNDOSA-N 0 3 319.493 3.298 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1cccc(F)c1 ZINC001560074897 1189274688 /nfs/dbraw/zinc/27/46/88/1189274688.db2.gz KRNFBGZRBLYUHT-VXGBXAGGSA-N 0 3 302.349 3.209 20 10 DGCDHN COc1ccc(N(C)CC[N@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001560917483 1189405513 /nfs/dbraw/zinc/40/55/13/1189405513.db2.gz POBKNJLTEZIFFG-UHFFFAOYSA-N 0 3 314.429 3.277 20 10 DGCDHN COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001560917483 1189405516 /nfs/dbraw/zinc/40/55/16/1189405516.db2.gz POBKNJLTEZIFFG-UHFFFAOYSA-N 0 3 314.429 3.277 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2CC[C@H](C3CC3)O2)cc1F ZINC001621087440 1193800720 /nfs/dbraw/zinc/80/07/20/1193800720.db2.gz MBHSFOFALUBTDT-CXAGYDPISA-N 0 3 310.388 3.078 20 10 DGCDHN CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(C)C ZINC001621122156 1193805783 /nfs/dbraw/zinc/80/57/83/1193805783.db2.gz UCTFKECKKBKKLU-SJORKVTESA-N 0 3 307.434 3.345 20 10 DGCDHN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(C)C ZINC001621122156 1193805784 /nfs/dbraw/zinc/80/57/84/1193805784.db2.gz UCTFKECKKBKKLU-SJORKVTESA-N 0 3 307.434 3.345 20 10 DGCDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001621399758 1193837477 /nfs/dbraw/zinc/83/74/77/1193837477.db2.gz OWXUNHSKEKHGET-QWHCGFSZSA-N 0 3 323.408 3.474 20 10 DGCDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC001621399758 1193837480 /nfs/dbraw/zinc/83/74/80/1193837480.db2.gz OWXUNHSKEKHGET-QWHCGFSZSA-N 0 3 323.408 3.474 20 10 DGCDHN CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2cc([O-])cs2)CC1 ZINC001635707097 1194566971 /nfs/dbraw/zinc/56/69/71/1194566971.db2.gz SQGWPTORLLMGDN-CQSZACIVSA-N 0 3 322.474 3.180 20 10 DGCDHN CC(C)N1CCC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635969293 1194582837 /nfs/dbraw/zinc/58/28/37/1194582837.db2.gz OEXAOBKGCPNJHI-KRWDZBQOSA-N 0 3 312.413 3.034 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@@H]1COc2ccccc2[C@@H]1O ZINC001651156619 1195421595 /nfs/dbraw/zinc/42/15/95/1195421595.db2.gz GRIIASJYZQQPFM-UZLBHIALSA-N 0 3 322.408 3.071 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001651902450 1195522483 /nfs/dbraw/zinc/52/24/83/1195522483.db2.gz IGUZODBUWCSRAC-INIZCTEOSA-N 0 3 308.853 3.496 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H](C)Cc2cccc(O)c2)c([O-])c1 ZINC001652465939 1195601575 /nfs/dbraw/zinc/60/15/75/1195601575.db2.gz OXOJWTIFYRJANB-ZDUSSCGKSA-N 0 3 301.386 3.136 20 10 DGCDHN CCc1cccc(CN2CCN(c3ccccc3F)CC2)c1O ZINC001657571947 1196156294 /nfs/dbraw/zinc/15/62/94/1196156294.db2.gz VJKJULLJYZQQIY-UHFFFAOYSA-N 0 3 314.404 3.416 20 10 DGCDHN CCOc1ccc(N2CCN(C[C@@H](OC)C3CCC3)CC2)cc1 ZINC001657876506 1196190162 /nfs/dbraw/zinc/19/01/62/1196190162.db2.gz UDLBLTRDMUNXPY-LJQANCHMSA-N 0 3 318.461 3.022 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1[O-] ZINC001657915219 1196193020 /nfs/dbraw/zinc/19/30/20/1196193020.db2.gz XMIYVNDOXHMNHF-LLVKDONJSA-N 0 3 314.410 3.156 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1 ZINC001658294270 1196236252 /nfs/dbraw/zinc/23/62/52/1196236252.db2.gz QKDCRKTVZFUUMH-FUHWJXTLSA-N 0 3 307.434 3.345 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1 ZINC001658294270 1196236255 /nfs/dbraw/zinc/23/62/55/1196236255.db2.gz QKDCRKTVZFUUMH-FUHWJXTLSA-N 0 3 307.434 3.345 20 10 DGCDHN CCc1cccc(NC(=O)CNCc2cccc(CC)c2O)c1 ZINC001658394903 1196250793 /nfs/dbraw/zinc/25/07/93/1196250793.db2.gz DMEZLQISFHSKSJ-UHFFFAOYSA-N 0 3 312.413 3.245 20 10 DGCDHN Cc1ccc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001658533973 1196270854 /nfs/dbraw/zinc/27/08/54/1196270854.db2.gz UHHLIEYFGKTJLA-UHFFFAOYSA-N 0 3 322.449 3.436 20 10 DGCDHN Cc1ccc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001658533973 1196270859 /nfs/dbraw/zinc/27/08/59/1196270859.db2.gz UHHLIEYFGKTJLA-UHFFFAOYSA-N 0 3 322.449 3.436 20 10 DGCDHN COc1ccc(O)c(CN[C@H](C)c2cc(F)ccc2N(C)C)c1 ZINC001659131711 1196349995 /nfs/dbraw/zinc/34/99/95/1196349995.db2.gz JTFIYTHVDPSNNS-GFCCVEGCSA-N 0 3 318.392 3.457 20 10 DGCDHN CCN(Cc1cc(C(C)C)ccc1O)C[C@@H](O)C(F)(F)F ZINC001659540733 1196394102 /nfs/dbraw/zinc/39/41/02/1196394102.db2.gz IZKJNJDUPVNROU-CQSZACIVSA-N 0 3 305.340 3.261 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC001659543342 1196394260 /nfs/dbraw/zinc/39/42/60/1196394260.db2.gz ZPEDODWZESTSNJ-HNNXBMFYSA-N 0 3 307.434 3.404 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC001660109591 1196446162 /nfs/dbraw/zinc/44/61/62/1196446162.db2.gz JDGOMIPPQAKESW-PBHICJAKSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC001660109591 1196446165 /nfs/dbraw/zinc/44/61/65/1196446165.db2.gz JDGOMIPPQAKESW-PBHICJAKSA-N 0 3 305.418 3.100 20 10 DGCDHN C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2cc(F)cc(F)c2[O-])C1 ZINC001660944790 1196544462 /nfs/dbraw/zinc/54/44/62/1196544462.db2.gz JDSQYVLLPBTTIV-CHWSQXEVSA-N 0 3 312.404 3.128 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@@H]2CC(=O)N(CC)C2)cc1 ZINC001662503059 1196726432 /nfs/dbraw/zinc/72/64/32/1196726432.db2.gz RCMPXVNLHCFHIT-QGZVFWFLSA-N 0 3 317.477 3.023 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)c([O-])c1 ZINC001663623694 1196916515 /nfs/dbraw/zinc/91/65/15/1196916515.db2.gz OLSGKDLSHIAZSP-QGZVFWFLSA-N 0 3 311.429 3.481 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)c([O-])c1 ZINC001663623694 1196916517 /nfs/dbraw/zinc/91/65/17/1196916517.db2.gz OLSGKDLSHIAZSP-QGZVFWFLSA-N 0 3 311.429 3.481 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c([O-])c1 ZINC001664820995 1197062826 /nfs/dbraw/zinc/06/28/26/1197062826.db2.gz FWCYWRBSOYESTF-GOSISDBHSA-N 0 3 317.429 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c([O-])c1 ZINC001664820995 1197062831 /nfs/dbraw/zinc/06/28/31/1197062831.db2.gz FWCYWRBSOYESTF-GOSISDBHSA-N 0 3 317.429 3.100 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c([O-])c1 ZINC001665290438 1197119693 /nfs/dbraw/zinc/11/96/93/1197119693.db2.gz VKZYYMYNXMABDP-AYOQOUSVSA-N 0 3 313.372 3.276 20 10 DGCDHN COc1cc(Cl)cc(CN2CC(C)(C)CC[C@@H]2CO)c1O ZINC001665533813 1197148899 /nfs/dbraw/zinc/14/88/99/1197148899.db2.gz SWAQEKUZXJBMGP-CYBMUJFWSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)c1[O-] ZINC001665533813 1197148906 /nfs/dbraw/zinc/14/89/06/1197148906.db2.gz SWAQEKUZXJBMGP-CYBMUJFWSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC(C)(C)CC[C@@H]2CO)c1[O-] ZINC001665533813 1197148909 /nfs/dbraw/zinc/14/89/09/1197148909.db2.gz SWAQEKUZXJBMGP-CYBMUJFWSA-N 0 3 313.825 3.037 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC001169733716 1081646127 /nfs/dbraw/zinc/64/61/27/1081646127.db2.gz WXVWPFNUKNLYAD-NVXWUHKLSA-N 0 3 324.424 3.348 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203558654 1090615363 /nfs/dbraw/zinc/61/53/63/1090615363.db2.gz SKLOEWFOJVVHRG-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203558654 1090615367 /nfs/dbraw/zinc/61/53/67/1090615367.db2.gz SKLOEWFOJVVHRG-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN CCN(Cc1ccccc1O)Cc1cc(OC)ccc1OC ZINC001203528705 1090748788 /nfs/dbraw/zinc/74/87/88/1090748788.db2.gz MOGQEWVBOWEHDM-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccc2[O-])o1 ZINC001203552049 1090754651 /nfs/dbraw/zinc/75/46/51/1090754651.db2.gz YMWBUIQSHPFXIM-MSOLQXFVSA-N 0 3 312.413 3.142 20 10 DGCDHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccc2[O-])o1 ZINC001203552049 1090754655 /nfs/dbraw/zinc/75/46/55/1090754655.db2.gz YMWBUIQSHPFXIM-MSOLQXFVSA-N 0 3 312.413 3.142 20 10 DGCDHN COc1cccc(CN(C)CCC(=O)c2cccs2)c1O ZINC001203599636 1090764149 /nfs/dbraw/zinc/76/41/49/1090764149.db2.gz KMTDNECODMAHEE-UHFFFAOYSA-N 0 3 305.399 3.167 20 10 DGCDHN COc1ccc(CN2CC[C@H]2COCc2ccccc2)c(O)c1 ZINC001203627913 1090769078 /nfs/dbraw/zinc/76/90/78/1090769078.db2.gz RTYIUALGGOIMFI-KRWDZBQOSA-N 0 3 313.397 3.192 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c([O-])c1 ZINC001203627913 1090769083 /nfs/dbraw/zinc/76/90/83/1090769083.db2.gz RTYIUALGGOIMFI-KRWDZBQOSA-N 0 3 313.397 3.192 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@H]2COCc2ccccc2)c([O-])c1 ZINC001203627913 1090769086 /nfs/dbraw/zinc/76/90/86/1090769086.db2.gz RTYIUALGGOIMFI-KRWDZBQOSA-N 0 3 313.397 3.192 20 10 DGCDHN COc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c([O-])c1 ZINC001203634562 1090770246 /nfs/dbraw/zinc/77/02/46/1090770246.db2.gz LYVCYMINQAEVNW-CQSZACIVSA-N 0 3 321.417 3.097 20 10 DGCDHN COc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c([O-])c1 ZINC001203634562 1090770248 /nfs/dbraw/zinc/77/02/48/1090770248.db2.gz LYVCYMINQAEVNW-CQSZACIVSA-N 0 3 321.417 3.097 20 10 DGCDHN CC(C)OCCN(CCOC(C)C)Cc1ccc(N(C)C)cc1 ZINC001203934033 1090842794 /nfs/dbraw/zinc/84/27/94/1090842794.db2.gz KHTKEFRQWJXOFI-UHFFFAOYSA-N 0 3 322.493 3.405 20 10 DGCDHN Cc1ccc(CN2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC001203934351 1090843095 /nfs/dbraw/zinc/84/30/95/1090843095.db2.gz RPZLLNOIMAOENA-UHFFFAOYSA-N 0 3 323.484 3.379 20 10 DGCDHN CN(C)c1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001203937248 1090843591 /nfs/dbraw/zinc/84/35/91/1090843591.db2.gz OYYVFAZXIYUDIO-UHFFFAOYSA-N 0 3 312.413 3.112 20 10 DGCDHN CCOCCN(CCOCC)Cc1ccc(N(CC)CC)cc1 ZINC001203941514 1090846170 /nfs/dbraw/zinc/84/61/70/1090846170.db2.gz AAXLFNHADVKUSE-UHFFFAOYSA-N 0 3 322.493 3.408 20 10 DGCDHN Cc1ccc(C)c(N2CCN(Cc3ccc(O)cc3O)CC2)c1 ZINC001204271713 1090937088 /nfs/dbraw/zinc/93/70/88/1090937088.db2.gz CJYGMNXNJMOESS-UHFFFAOYSA-N 0 3 312.413 3.037 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]([NH3+])C3(CC3)C2)cc1Cl ZINC001204911597 1091060606 /nfs/dbraw/zinc/06/06/06/1091060606.db2.gz IVBSDJQEGWEBAU-OAHLLOKOSA-N 0 3 308.853 3.266 20 10 DGCDHN Oc1c(CN2CCC[C@H](F)C2)cc2c3c1CCCN3CCC2 ZINC001138336672 1091145431 /nfs/dbraw/zinc/14/54/31/1091145431.db2.gz DQVCGSUEZVHCDK-HNNXBMFYSA-N 0 3 304.409 3.025 20 10 DGCDHN CCO[C@@H]1CCN(Cc2ccc(N(CC)CC)cc2OC)C1 ZINC001138392476 1091165447 /nfs/dbraw/zinc/16/54/47/1091165447.db2.gz XIFBMOFVIPKREA-QGZVFWFLSA-N 0 3 306.450 3.152 20 10 DGCDHN C[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@H]1C[NH3+] ZINC001205314549 1091180529 /nfs/dbraw/zinc/18/05/29/1091180529.db2.gz BRPWNWKAFLBRRZ-GXSJLCMTSA-N 0 3 303.233 3.116 20 10 DGCDHN CCC(=O)Oc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001138965657 1091396650 /nfs/dbraw/zinc/39/66/50/1091396650.db2.gz YZLYPASCXLHCEA-UHFFFAOYSA-N 0 3 311.381 3.266 20 10 DGCDHN CCC(=O)Oc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001138965657 1091396659 /nfs/dbraw/zinc/39/66/59/1091396659.db2.gz YZLYPASCXLHCEA-UHFFFAOYSA-N 0 3 311.381 3.266 20 10 DGCDHN CCC(=O)Oc1ccc(CN2CCc3cccc(O)c3C2)cc1 ZINC001138965657 1091396664 /nfs/dbraw/zinc/39/66/64/1091396664.db2.gz YZLYPASCXLHCEA-UHFFFAOYSA-N 0 3 311.381 3.266 20 10 DGCDHN C[C@@H]1C[NH2+]CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001206286778 1091564134 /nfs/dbraw/zinc/56/41/34/1091564134.db2.gz URMKUOKWVCWPCK-GFCCVEGCSA-N 0 3 310.869 3.384 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001140057700 1091751244 /nfs/dbraw/zinc/75/12/44/1091751244.db2.gz KRNSWNSYTHYHAL-UHFFFAOYSA-N 0 3 316.376 3.217 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001140057864 1091751670 /nfs/dbraw/zinc/75/16/70/1091751670.db2.gz QMYMYQPAPHICBX-HZMBPMFUSA-N 0 3 321.314 3.057 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001140057864 1091751677 /nfs/dbraw/zinc/75/16/77/1091751677.db2.gz QMYMYQPAPHICBX-HZMBPMFUSA-N 0 3 321.314 3.057 20 10 DGCDHN Cc1ccc(C)c(CN2CCN3C(=O)c4ccccc4[C@H]3C2)c1O ZINC001140181575 1091794099 /nfs/dbraw/zinc/79/40/99/1091794099.db2.gz SUXSPNGVANDWFC-GOSISDBHSA-N 0 3 322.408 3.022 20 10 DGCDHN C[C@@H](NCc1sc(N(C)C)nc1Cl)c1ccccc1O ZINC001207160752 1091869419 /nfs/dbraw/zinc/86/94/19/1091869419.db2.gz SQWXYDGYKDTUJQ-SECBINFHSA-N 0 3 311.838 3.419 20 10 DGCDHN Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(C)cc3[O-])C2)cc1 ZINC001207232877 1091894670 /nfs/dbraw/zinc/89/46/70/1091894670.db2.gz ARISSVFRXWYDKU-LJQANCHMSA-N 0 3 310.441 3.373 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(c3noc4ccccc43)CC2)c1 ZINC001140617670 1091932918 /nfs/dbraw/zinc/93/29/18/1091932918.db2.gz VXOFATQFVNRYBK-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN CCN(CC)c1ccc(CN2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001140850520 1092028584 /nfs/dbraw/zinc/02/85/84/1092028584.db2.gz NTKCVRDPXNAAOQ-UHFFFAOYSA-N 0 3 310.388 3.470 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c([O-])c1 ZINC001140948573 1092074471 /nfs/dbraw/zinc/07/44/71/1092074471.db2.gz OUUZTWPSDZWBMJ-UHFFFAOYSA-N 0 3 311.425 3.270 20 10 DGCDHN Oc1cccc2c1CN(Cc1ccc3cccc(O)c3n1)CC2 ZINC001141024619 1092109248 /nfs/dbraw/zinc/10/92/48/1092109248.db2.gz XLMFGSVNPVDCAN-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCCc2ccccc2)c(OC)c1 ZINC001141026776 1092110910 /nfs/dbraw/zinc/11/09/10/1092110910.db2.gz CLWJDTAISUOUQS-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCCc2ccccc2)c(OC)c1 ZINC001141026776 1092110915 /nfs/dbraw/zinc/11/09/15/1092110915.db2.gz CLWJDTAISUOUQS-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN CCN(Cc1cccs1)Cc1c(O)cc(OC)cc1OC ZINC001141030843 1092112789 /nfs/dbraw/zinc/11/27/89/1092112789.db2.gz NJNWFJWRMXWORP-UHFFFAOYSA-N 0 3 307.415 3.493 20 10 DGCDHN CN1CCOc2cc(CN3CCC[C@H]3c3ccncc3)ccc21 ZINC001141143086 1092148691 /nfs/dbraw/zinc/14/86/91/1092148691.db2.gz MPAFQNUIKHKCPG-KRWDZBQOSA-N 0 3 309.413 3.247 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1cccc(-n3ccnc3)c1)CC2 ZINC001141244251 1092191250 /nfs/dbraw/zinc/19/12/50/1092191250.db2.gz HACPQVDIFXUVAN-UHFFFAOYSA-N 0 3 305.381 3.136 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1cccc(-n3ccnc3)c1)CC2 ZINC001141244251 1092191254 /nfs/dbraw/zinc/19/12/54/1092191254.db2.gz HACPQVDIFXUVAN-UHFFFAOYSA-N 0 3 305.381 3.136 20 10 DGCDHN C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001168871125 1092406982 /nfs/dbraw/zinc/40/69/82/1092406982.db2.gz GZGNTRLWAWAXRD-UKRRQHHQSA-N 0 3 320.433 3.222 20 10 DGCDHN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001168871125 1092406989 /nfs/dbraw/zinc/40/69/89/1092406989.db2.gz GZGNTRLWAWAXRD-UKRRQHHQSA-N 0 3 320.433 3.222 20 10 DGCDHN CC(C)Oc1ncccc1CC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001208800130 1092515645 /nfs/dbraw/zinc/51/56/45/1092515645.db2.gz IMGLCIXCDJQNFJ-UHFFFAOYSA-N 0 3 312.413 3.175 20 10 DGCDHN CC(C)Oc1ncccc1CC[N@H+]1CCc2cccc([O-])c2C1 ZINC001208800130 1092515657 /nfs/dbraw/zinc/51/56/57/1092515657.db2.gz IMGLCIXCDJQNFJ-UHFFFAOYSA-N 0 3 312.413 3.175 20 10 DGCDHN CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001209140420 1092668814 /nfs/dbraw/zinc/66/88/14/1092668814.db2.gz UFASYDMKAWFSEO-UHFFFAOYSA-N 0 3 322.449 3.471 20 10 DGCDHN CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001209140420 1092668819 /nfs/dbraw/zinc/66/88/19/1092668819.db2.gz UFASYDMKAWFSEO-UHFFFAOYSA-N 0 3 322.449 3.471 20 10 DGCDHN CC(=O)c1cc(F)cc(CN2CCC3(CC3(F)F)CC2)c1O ZINC000404947528 1094274901 /nfs/dbraw/zinc/27/49/01/1094274901.db2.gz OKHPTGGSCQPJLN-UHFFFAOYSA-N 0 3 313.319 3.355 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171021313 1095144108 /nfs/dbraw/zinc/14/41/08/1095144108.db2.gz AEZNOLUNXYNYCI-ZDUSSCGKSA-N 0 3 303.789 3.398 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166638 1095471623 /nfs/dbraw/zinc/47/16/23/1095471623.db2.gz APMNPTADQVEGGE-GOSISDBHSA-N 0 3 324.415 3.416 20 10 DGCDHN COc1cc([O-])c(CN2CCC[C@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270982 1095522788 /nfs/dbraw/zinc/52/27/88/1095522788.db2.gz BOZCRPGQAXXSTE-KRWDZBQOSA-N 0 3 324.852 3.020 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC3(C2)CC[NH2+]C3)cc1Cl ZINC001222385346 1095584248 /nfs/dbraw/zinc/58/42/48/1095584248.db2.gz KNXFKFGITAIPCO-UHFFFAOYSA-N 0 3 308.853 3.138 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c([O-])c1 ZINC001117749722 1095833514 /nfs/dbraw/zinc/83/35/14/1095833514.db2.gz AEIGXYVSJGKAAH-WBVHZDCISA-N 0 3 321.461 3.085 20 10 DGCDHN CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138128357 1095901509 /nfs/dbraw/zinc/90/15/09/1095901509.db2.gz FLIANHQVQQHFHI-HOTGVXAUSA-N 0 3 306.425 3.370 20 10 DGCDHN CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138128357 1095901519 /nfs/dbraw/zinc/90/15/19/1095901519.db2.gz FLIANHQVQQHFHI-HOTGVXAUSA-N 0 3 306.425 3.370 20 10 DGCDHN CC[C@@](C)(C(=O)OC)N(Cc1ccc(N(C)C)cc1)CC1CC1 ZINC001171371681 1096546990 /nfs/dbraw/zinc/54/69/90/1096546990.db2.gz YQBKVHVPJRTOOB-IBGZPJMESA-N 0 3 318.461 3.306 20 10 DGCDHN CCOc1ccc(N2CCN([C@@H](C)CCOC(C)C)CC2)cc1 ZINC001172455514 1097160002 /nfs/dbraw/zinc/16/00/02/1097160002.db2.gz UYGGPVSLZIOWIY-KRWDZBQOSA-N 0 3 320.477 3.411 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172684400 1097207831 /nfs/dbraw/zinc/20/78/31/1097207831.db2.gz YFJFKSPNRVRAAN-GOSISDBHSA-N 0 3 324.424 3.015 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172684400 1097207835 /nfs/dbraw/zinc/20/78/35/1097207835.db2.gz YFJFKSPNRVRAAN-GOSISDBHSA-N 0 3 324.424 3.015 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1[O-] ZINC001172670865 1097211478 /nfs/dbraw/zinc/21/14/78/1097211478.db2.gz KCUYAPZBALOKGM-NVXWUHKLSA-N 0 3 324.424 3.234 20 10 DGCDHN COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001172797525 1097253576 /nfs/dbraw/zinc/25/35/76/1097253576.db2.gz IDLDQVIEIHDTCH-GJZGRUSLSA-N 0 3 305.418 3.221 20 10 DGCDHN COc1ccc(Br)c(CN2CCCCC2)c1O ZINC001231547829 1097777909 /nfs/dbraw/zinc/77/79/09/1097777909.db2.gz JVUBYGQGCBAEFN-UHFFFAOYSA-N 0 3 300.196 3.149 20 10 DGCDHN COC(=O)CC[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231590058 1097785543 /nfs/dbraw/zinc/78/55/43/1097785543.db2.gz HDVYOGDJVUSPMU-AWEZNQCLSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231590058 1097785545 /nfs/dbraw/zinc/78/55/45/1097785545.db2.gz HDVYOGDJVUSPMU-AWEZNQCLSA-N 0 3 313.397 3.321 20 10 DGCDHN Cc1cc(C)c(CN2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC001231844791 1097861596 /nfs/dbraw/zinc/86/15/96/1097861596.db2.gz QQZAJANJELFZPI-UHFFFAOYSA-N 0 3 310.441 3.327 20 10 DGCDHN Cc1cc([O-])c(CN2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC001231869244 1097870224 /nfs/dbraw/zinc/87/02/24/1097870224.db2.gz NJIHHKLIXCFQJP-UHFFFAOYSA-N 0 3 308.853 3.414 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(OC)cc1C ZINC001232353506 1098012356 /nfs/dbraw/zinc/01/23/56/1098012356.db2.gz BMXSBQKXEFSQMP-UHFFFAOYSA-N 0 3 313.445 3.487 20 10 DGCDHN COC(=O)c1c(CN2CCCC[C@H]2C)c2ccccc2n1C ZINC001232401039 1098028738 /nfs/dbraw/zinc/02/87/38/1098028738.db2.gz DVPVZUOGQASQFN-CYBMUJFWSA-N 0 3 300.402 3.339 20 10 DGCDHN COC(=O)c1c(CN2CCC(CF)CC2)c2ccccc2n1C ZINC001232405268 1098030201 /nfs/dbraw/zinc/03/02/01/1098030201.db2.gz HZVRPNMNBZDYMZ-UHFFFAOYSA-N 0 3 318.392 3.146 20 10 DGCDHN C[N@H+](CCCN1CCCC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418236 1098324217 /nfs/dbraw/zinc/32/42/17/1098324217.db2.gz YLCJCQRYNLWXPJ-UHFFFAOYSA-N 0 3 316.367 3.329 20 10 DGCDHN C[N@@H+](CCCN1CCCC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418236 1098324227 /nfs/dbraw/zinc/32/42/27/1098324227.db2.gz YLCJCQRYNLWXPJ-UHFFFAOYSA-N 0 3 316.367 3.329 20 10 DGCDHN Oc1cc(O)c(CN2CCC[C@@H]2c2ccc(F)cc2)cc1O ZINC001233483050 1098345348 /nfs/dbraw/zinc/34/53/48/1098345348.db2.gz MDXGDXFJAUKIRA-CQSZACIVSA-N 0 3 303.333 3.280 20 10 DGCDHN CCN(Cc1cccc(Cl)c1)Cc1cc(O)c(O)cc1O ZINC001233486974 1098347907 /nfs/dbraw/zinc/34/79/07/1098347907.db2.gz KGEWMVXBMLTOID-UHFFFAOYSA-N 0 3 307.777 3.479 20 10 DGCDHN CCCO[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233755574 1098423036 /nfs/dbraw/zinc/42/30/36/1098423036.db2.gz WJDUPQNTUGXOQY-LBPRGKRZSA-N 0 3 319.323 3.292 20 10 DGCDHN CCCO[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233755574 1098423041 /nfs/dbraw/zinc/42/30/41/1098423041.db2.gz WJDUPQNTUGXOQY-LBPRGKRZSA-N 0 3 319.323 3.292 20 10 DGCDHN CC1(C)[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]21 ZINC001233761788 1098425429 /nfs/dbraw/zinc/42/54/29/1098425429.db2.gz YXCKTCBVUZSYFF-PHIMTYICSA-N 0 3 301.308 3.379 20 10 DGCDHN CC1(C)[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]21 ZINC001233761788 1098425430 /nfs/dbraw/zinc/42/54/30/1098425430.db2.gz YXCKTCBVUZSYFF-PHIMTYICSA-N 0 3 301.308 3.379 20 10 DGCDHN CCN1CCN(c2ccc(OC3CCSCC3)cc2)CC1 ZINC001234657518 1098634985 /nfs/dbraw/zinc/63/49/85/1098634985.db2.gz DKLVOUUPYOKCAO-UHFFFAOYSA-N 0 3 306.475 3.103 20 10 DGCDHN CCCOC[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657044 1098635259 /nfs/dbraw/zinc/63/52/59/1098635259.db2.gz AEQMRNPRTVJLNR-MRXNPFEDSA-N 0 3 306.450 3.022 20 10 DGCDHN [O-]c1c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)cccc1-c1ccccc1 ZINC001235002486 1098745290 /nfs/dbraw/zinc/74/52/90/1098745290.db2.gz QNZSWAHSSBFSKL-QZTJIDSGSA-N 0 3 315.388 3.354 20 10 DGCDHN [O-]c1c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)cccc1-c1ccccc1 ZINC001235002486 1098745298 /nfs/dbraw/zinc/74/52/98/1098745298.db2.gz QNZSWAHSSBFSKL-QZTJIDSGSA-N 0 3 315.388 3.354 20 10 DGCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235673870 1099116109 /nfs/dbraw/zinc/11/61/09/1099116109.db2.gz ASELAOOWEHHXGK-UKRRQHHQSA-N 0 3 319.445 3.463 20 10 DGCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235673870 1099116112 /nfs/dbraw/zinc/11/61/12/1099116112.db2.gz ASELAOOWEHHXGK-UKRRQHHQSA-N 0 3 319.445 3.463 20 10 DGCDHN CC(C)(C)c1ccc(CN2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001235681121 1099124845 /nfs/dbraw/zinc/12/48/45/1099124845.db2.gz YJXZYAOAPODXQD-UHFFFAOYSA-N 0 3 320.452 3.308 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235683384 1099126763 /nfs/dbraw/zinc/12/67/63/1099126763.db2.gz FKAUYQXHXVALIE-OAHLLOKOSA-N 0 3 319.445 3.465 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235683384 1099126766 /nfs/dbraw/zinc/12/67/66/1099126766.db2.gz FKAUYQXHXVALIE-OAHLLOKOSA-N 0 3 319.445 3.465 20 10 DGCDHN CCN(CC)CC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001180391288 1099393270 /nfs/dbraw/zinc/39/32/70/1099393270.db2.gz NRSHWIANUKHFPF-SFHVURJKSA-N 0 3 318.461 3.090 20 10 DGCDHN COc1cc(CN2CCC[C@@H](C)C2)c(O)cc1Br ZINC001236745099 1099770236 /nfs/dbraw/zinc/77/02/36/1099770236.db2.gz NDOPPRVXOMQKQY-SNVBAGLBSA-N 0 3 314.223 3.395 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001236783552 1099779869 /nfs/dbraw/zinc/77/98/69/1099779869.db2.gz MFAGPKLDEVIZBF-OAHLLOKOSA-N 0 3 317.351 3.234 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001236783552 1099779878 /nfs/dbraw/zinc/77/98/78/1099779878.db2.gz MFAGPKLDEVIZBF-OAHLLOKOSA-N 0 3 317.351 3.234 20 10 DGCDHN CCc1ccc(CN2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC001236783073 1099781398 /nfs/dbraw/zinc/78/13/98/1099781398.db2.gz HSSNARFXUFNZNQ-IBGZPJMESA-N 0 3 310.441 3.443 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c([O-])c1 ZINC001236788879 1099785588 /nfs/dbraw/zinc/78/55/88/1099785588.db2.gz SBIBIJUCQJDQIJ-QGZVFWFLSA-N 0 3 312.413 3.311 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c([O-])c1 ZINC001236788879 1099785594 /nfs/dbraw/zinc/78/55/94/1099785594.db2.gz SBIBIJUCQJDQIJ-QGZVFWFLSA-N 0 3 312.413 3.311 20 10 DGCDHN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001236790959 1099787096 /nfs/dbraw/zinc/78/70/96/1099787096.db2.gz WUZBVSAIPOXSIE-PWSUYJOCSA-N 0 3 315.244 3.083 20 10 DGCDHN C[N@H+]1CC[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001236790959 1099787107 /nfs/dbraw/zinc/78/71/07/1099787107.db2.gz WUZBVSAIPOXSIE-PWSUYJOCSA-N 0 3 315.244 3.083 20 10 DGCDHN CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236793492 1099788013 /nfs/dbraw/zinc/78/80/13/1099788013.db2.gz WXFWRJRIWHWPSP-INIZCTEOSA-N 0 3 305.418 3.120 20 10 DGCDHN CCOC(=O)[C@H]1CCCC[N@@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236793492 1099788020 /nfs/dbraw/zinc/78/80/20/1099788020.db2.gz WXFWRJRIWHWPSP-INIZCTEOSA-N 0 3 305.418 3.120 20 10 DGCDHN O=C1NCCCC12CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236831291 1099817761 /nfs/dbraw/zinc/81/77/61/1099817761.db2.gz GHHADFAJDUZJBR-UHFFFAOYSA-N 0 3 324.424 3.038 20 10 DGCDHN CCC(=O)NC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236842522 1099826431 /nfs/dbraw/zinc/82/64/31/1099826431.db2.gz WSEYRISPGCLSNO-UHFFFAOYSA-N 0 3 312.413 3.036 20 10 DGCDHN CC1(C)[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@@H]21 ZINC001237058003 1099951224 /nfs/dbraw/zinc/95/12/24/1099951224.db2.gz HLHRRNZWEVUZQU-BETUJISGSA-N 0 3 315.335 3.421 20 10 DGCDHN CC1(C)[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@@H]21 ZINC001237058003 1099951231 /nfs/dbraw/zinc/95/12/31/1099951231.db2.gz HLHRRNZWEVUZQU-BETUJISGSA-N 0 3 315.335 3.421 20 10 DGCDHN CCO[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138778 1099990423 /nfs/dbraw/zinc/99/04/23/1099990423.db2.gz GNKVWDKOTGEVPA-ZDUSSCGKSA-N 0 3 303.324 3.412 20 10 DGCDHN CO[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237139425 1099990459 /nfs/dbraw/zinc/99/04/59/1099990459.db2.gz FFBKKLHMRCYOEX-ZDUSSCGKSA-N 0 3 303.324 3.412 20 10 DGCDHN CO[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237139425 1099990470 /nfs/dbraw/zinc/99/04/70/1099990470.db2.gz FFBKKLHMRCYOEX-ZDUSSCGKSA-N 0 3 303.324 3.412 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237648228 1100201007 /nfs/dbraw/zinc/20/10/07/1100201007.db2.gz YQVJTPZYQBBNSS-HNAYVOBHSA-N 0 3 313.372 3.419 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237648228 1100201014 /nfs/dbraw/zinc/20/10/14/1100201014.db2.gz YQVJTPZYQBBNSS-HNAYVOBHSA-N 0 3 313.372 3.419 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@H](CO)C1 ZINC001237643690 1100201686 /nfs/dbraw/zinc/20/16/86/1100201686.db2.gz PWZRPKUOMMMDFK-ZDUSSCGKSA-N 0 3 301.361 3.013 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC001237643690 1100201690 /nfs/dbraw/zinc/20/16/90/1100201690.db2.gz PWZRPKUOMMMDFK-ZDUSSCGKSA-N 0 3 301.361 3.013 20 10 DGCDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237687246 1100215124 /nfs/dbraw/zinc/21/51/24/1100215124.db2.gz WFEMNKQWEDPAEP-NEPJUHHUSA-N 0 3 311.809 3.128 20 10 DGCDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237687246 1100215131 /nfs/dbraw/zinc/21/51/31/1100215131.db2.gz WFEMNKQWEDPAEP-NEPJUHHUSA-N 0 3 311.809 3.128 20 10 DGCDHN CCN1CCC([N@H+](C)Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237935922 1100296591 /nfs/dbraw/zinc/29/65/91/1100296591.db2.gz GXICPYFTKDZLGC-UHFFFAOYSA-N 0 3 300.805 3.101 20 10 DGCDHN CCN1CCC([N@@H+](C)Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237935922 1100296596 /nfs/dbraw/zinc/29/65/96/1100296596.db2.gz GXICPYFTKDZLGC-UHFFFAOYSA-N 0 3 300.805 3.101 20 10 DGCDHN Cc1cc(F)cc(CN2CCN(Cc3ccccc3)CC2)c1O ZINC001238059342 1100345378 /nfs/dbraw/zinc/34/53/78/1100345378.db2.gz BZGWXQFPMSCOJI-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(N(C)C)cc1 ZINC001191058323 1100389267 /nfs/dbraw/zinc/38/92/67/1100389267.db2.gz PIRQPFRFPQKXJJ-GOSISDBHSA-N 0 3 323.484 3.459 20 10 DGCDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC001195113831 1101073952 /nfs/dbraw/zinc/07/39/52/1101073952.db2.gz PUYZXAMXFGSRSJ-GOSISDBHSA-N 0 3 323.484 3.459 20 10 DGCDHN CCOc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 ZINC001201610393 1102671766 /nfs/dbraw/zinc/67/17/66/1102671766.db2.gz UMYQPEHLQIWGPE-UHFFFAOYSA-N 0 3 310.441 3.450 20 10 DGCDHN CCCN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001201652602 1102686536 /nfs/dbraw/zinc/68/65/36/1102686536.db2.gz RRORMWAZCZGKAV-UHFFFAOYSA-N 0 3 311.429 3.193 20 10 DGCDHN C[C@H](O)[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001327263995 1103606235 /nfs/dbraw/zinc/60/62/35/1103606235.db2.gz NRICZDYLHXESRX-JXFKEZNVSA-N 0 3 310.441 3.499 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@]2(C)CCO[C@H]2C2CC2)cc1F ZINC001328688191 1104021740 /nfs/dbraw/zinc/02/17/40/1104021740.db2.gz HCYYAZGYSLFSSI-DLBZAZTESA-N 0 3 310.388 3.078 20 10 DGCDHN C[C@@H]1COCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223810 1105249553 /nfs/dbraw/zinc/24/95/53/1105249553.db2.gz NFDHGVFHCYSGRH-ZDUSSCGKSA-N 0 3 303.402 3.045 20 10 DGCDHN C[C@@H]1COCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223810 1105249555 /nfs/dbraw/zinc/24/95/55/1105249555.db2.gz NFDHGVFHCYSGRH-ZDUSSCGKSA-N 0 3 303.402 3.045 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)ccc2O1 ZINC001249252007 1105256810 /nfs/dbraw/zinc/25/68/10/1105256810.db2.gz DXLIHRADUUAUKC-CZUORRHYSA-N 0 3 315.413 3.187 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)ccc2O1 ZINC001249252007 1105256812 /nfs/dbraw/zinc/25/68/12/1105256812.db2.gz DXLIHRADUUAUKC-CZUORRHYSA-N 0 3 315.413 3.187 20 10 DGCDHN [NH3+][C@H](Cc1nc(-c2ccccc2Cl)no1)c1ccccc1[O-] ZINC001249339647 1105271749 /nfs/dbraw/zinc/27/17/49/1105271749.db2.gz PWIHBVQPZHNJAT-CYBMUJFWSA-N 0 3 315.760 3.338 20 10 DGCDHN COc1cccc2c1CC[C@H]([N@@H+]1CCc3cccc([O-])c3C1)C2 ZINC001256655589 1106464282 /nfs/dbraw/zinc/46/42/82/1106464282.db2.gz YQRFJBCHEHKCRJ-INIZCTEOSA-N 0 3 309.409 3.316 20 10 DGCDHN COc1cccc2c1CC[C@H]([N@H+]1CCc3cccc([O-])c3C1)C2 ZINC001256655589 1106464285 /nfs/dbraw/zinc/46/42/85/1106464285.db2.gz YQRFJBCHEHKCRJ-INIZCTEOSA-N 0 3 309.409 3.316 20 10 DGCDHN CCOc1ccc(N2CCN([C@H]3CCCSC3)CC2)cc1 ZINC001257682914 1106621560 /nfs/dbraw/zinc/62/15/60/1106621560.db2.gz KRJRZECSMDLIAV-INIZCTEOSA-N 0 3 306.475 3.103 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257967582 1106652632 /nfs/dbraw/zinc/65/26/32/1106652632.db2.gz CGMYRUYBFWUMOJ-HNNXBMFYSA-N 0 3 303.789 3.481 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257967582 1106652633 /nfs/dbraw/zinc/65/26/33/1106652633.db2.gz CGMYRUYBFWUMOJ-HNNXBMFYSA-N 0 3 303.789 3.481 20 10 DGCDHN CC[C@H](C)CC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001323435907 1107974994 /nfs/dbraw/zinc/97/49/94/1107974994.db2.gz QCWJTAUCUBKMAB-AWEZNQCLSA-N 0 3 318.461 3.178 20 10 DGCDHN CC[C@H](C)[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289599750 1110216079 /nfs/dbraw/zinc/21/60/79/1110216079.db2.gz IHLIBVRCCZFOOB-RLFYNMQTSA-N 0 3 319.493 3.154 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c([O-])c1 ZINC001308758416 1111471128 /nfs/dbraw/zinc/47/11/28/1111471128.db2.gz SGYYLSANQTUSGM-GJZGRUSLSA-N 0 3 307.434 3.225 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c([O-])c1 ZINC001308758416 1111471130 /nfs/dbraw/zinc/47/11/30/1111471130.db2.gz SGYYLSANQTUSGM-GJZGRUSLSA-N 0 3 307.434 3.225 20 10 DGCDHN Cc1cc([O-])c(C[NH+]2CCC(c3cncn3C)CC2)cc1Cl ZINC001308982804 1111504392 /nfs/dbraw/zinc/50/43/92/1111504392.db2.gz GXIRHMQQNQDIGY-UHFFFAOYSA-N 0 3 319.836 3.467 20 10 DGCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000295135209 529402641 /nfs/dbraw/zinc/40/26/41/529402641.db2.gz PDGYTWSLFGMLRD-GHMZBOCLSA-N 0 3 321.339 3.409 20 10 DGCDHN CCCOc1ccc(C[NH+]2CCC(n3ccnc3)CC2)c([O-])c1 ZINC000092648830 185331540 /nfs/dbraw/zinc/33/15/40/185331540.db2.gz YLTJFPUSBGNMLQ-UHFFFAOYSA-N 0 3 315.417 3.215 20 10 DGCDHN COc1ccc(CN(C)Cc2cccc(OC)c2O)cc1C ZINC000092787124 185340713 /nfs/dbraw/zinc/34/07/13/185340713.db2.gz BCKMRQKNADEUNB-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+]CCCc1c[nH]c3ccccc13)OCO2 ZINC000107714362 432037961 /nfs/dbraw/zinc/03/79/61/432037961.db2.gz QNPPLDMGILIFPB-UHFFFAOYSA-N 0 3 324.380 3.325 20 10 DGCDHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236885335 202052672 /nfs/dbraw/zinc/05/26/72/202052672.db2.gz RAFXTGJTBSUHOB-QAPCUYQASA-N 0 3 317.477 3.009 20 10 DGCDHN Cc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1[O-] ZINC000179642245 432065595 /nfs/dbraw/zinc/06/55/95/432065595.db2.gz IJYOPBIDUOHBNL-UHFFFAOYSA-N 0 3 324.424 3.095 20 10 DGCDHN COC(=O)c1oc([C@@H](C)N(C)Cc2ccccc2O)cc1C ZINC000091619334 193079438 /nfs/dbraw/zinc/07/94/38/193079438.db2.gz MPAUFGJRZFIUCB-GFCCVEGCSA-N 0 3 303.358 3.273 20 10 DGCDHN CCO[C@@H]1C[C@H](NCc2c(C)c3ccccc3n2C)[C@@H]1SC ZINC000459506327 243395248 /nfs/dbraw/zinc/39/52/48/243395248.db2.gz PQSHFBGKJMHIOC-QGTPRVQTSA-N 0 3 318.486 3.485 20 10 DGCDHN CCN(CC)[C@H](CNCc1ccc2c(c1)CCO2)c1ccco1 ZINC000067506089 184470424 /nfs/dbraw/zinc/47/04/24/184470424.db2.gz QICJEZOPWYBCOT-QGZVFWFLSA-N 0 3 314.429 3.387 20 10 DGCDHN COc1cccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1O ZINC000183212070 533483723 /nfs/dbraw/zinc/48/37/23/533483723.db2.gz GTRQSQRMHLODAT-MRXNPFEDSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1[O-] ZINC000183212070 533483727 /nfs/dbraw/zinc/48/37/27/533483727.db2.gz GTRQSQRMHLODAT-MRXNPFEDSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1[O-] ZINC000183212070 533483731 /nfs/dbraw/zinc/48/37/31/533483731.db2.gz GTRQSQRMHLODAT-MRXNPFEDSA-N 0 3 317.360 3.193 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1[O-] ZINC000271952681 129984408 /nfs/dbraw/zinc/98/44/08/129984408.db2.gz DUPLMPYMSGRTRC-HOTGVXAUSA-N 0 3 307.434 3.474 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000273028955 130083924 /nfs/dbraw/zinc/08/39/24/130083924.db2.gz FWWPWYXNPXKFOC-LSDHHAIUSA-N 0 3 307.434 3.476 20 10 DGCDHN C[C@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOC1 ZINC000273191999 130096390 /nfs/dbraw/zinc/09/63/90/130096390.db2.gz PZVMHDBCASFGKW-IBGZPJMESA-N 0 3 313.397 3.240 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c([O-])c1C ZINC000273355758 130111586 /nfs/dbraw/zinc/11/15/86/130111586.db2.gz CNMDATWAIXVIRY-PBHICJAKSA-N 0 3 317.404 3.402 20 10 DGCDHN COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])cc1 ZINC000273415886 130118727 /nfs/dbraw/zinc/11/87/27/130118727.db2.gz QXEPICARAHCEKL-RDTXWAMCSA-N 0 3 315.413 3.402 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000273481195 130126352 /nfs/dbraw/zinc/12/63/52/130126352.db2.gz MBKJQBDLDFIWMX-CRAIPNDOSA-N 0 3 324.424 3.152 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCOc2ncccc2F)c([O-])c1C ZINC000273528077 130132682 /nfs/dbraw/zinc/13/26/82/130132682.db2.gz VREHLHGGPTXYCK-ZDUSSCGKSA-N 0 3 304.365 3.273 20 10 DGCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1[N+](=O)[O-] ZINC000273571556 130139382 /nfs/dbraw/zinc/13/93/82/130139382.db2.gz KRSHVEJAXNFBFL-GFCCVEGCSA-N 0 3 316.357 3.468 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000273608577 130142928 /nfs/dbraw/zinc/14/29/28/130142928.db2.gz UYZVWMJTJVMGPJ-LBPRGKRZSA-N 0 3 316.357 3.202 20 10 DGCDHN Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275350884 130307518 /nfs/dbraw/zinc/30/75/18/130307518.db2.gz QOARBKGIYJVRNR-JTQLQIEISA-N 0 3 324.222 3.345 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1cscn1)C[C@@H]1CCCO1 ZINC000283892740 131031444 /nfs/dbraw/zinc/03/14/44/131031444.db2.gz JCIONJVPEHVSQR-INIZCTEOSA-N 0 3 318.442 3.072 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1cscn1)C[C@@H]1CCCO1 ZINC000283892740 131031446 /nfs/dbraw/zinc/03/14/46/131031446.db2.gz JCIONJVPEHVSQR-INIZCTEOSA-N 0 3 318.442 3.072 20 10 DGCDHN COc1ccc(O)c(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000284267088 131064686 /nfs/dbraw/zinc/06/46/86/131064686.db2.gz GRTAHIVDFASVKA-KGLIPLIRSA-N 0 3 316.228 3.417 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000284927539 131123835 /nfs/dbraw/zinc/12/38/35/131123835.db2.gz GTQSVGNZBHWHMR-ZIAGYGMSSA-N 0 3 311.809 3.198 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000284927539 131123836 /nfs/dbraw/zinc/12/38/36/131123836.db2.gz GTQSVGNZBHWHMR-ZIAGYGMSSA-N 0 3 311.809 3.198 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c([O-])c1 ZINC000284972333 131127587 /nfs/dbraw/zinc/12/75/87/131127587.db2.gz FVHYROQYVRECDL-HZPDHXFCSA-N 0 3 311.429 3.334 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c([O-])c1 ZINC000285021604 131131955 /nfs/dbraw/zinc/13/19/55/131131955.db2.gz KAEVDTDHNOWZMU-SJLPKXTDSA-N 0 3 305.418 3.324 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c([O-])c1 ZINC000285021604 131131957 /nfs/dbraw/zinc/13/19/57/131131957.db2.gz KAEVDTDHNOWZMU-SJLPKXTDSA-N 0 3 305.418 3.324 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])[C@@]12CCCO2 ZINC000285394046 131164092 /nfs/dbraw/zinc/16/40/92/131164092.db2.gz WVUFQYIHZVLISX-XZKMEQPCSA-N 0 3 319.445 3.386 20 10 DGCDHN CCOC1CC(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000285519782 131176477 /nfs/dbraw/zinc/17/64/77/131176477.db2.gz GIYZHSVJNZEUNJ-IIIMJFFVSA-N 0 3 319.445 3.188 20 10 DGCDHN CCOC1CC(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000285519782 131176478 /nfs/dbraw/zinc/17/64/78/131176478.db2.gz GIYZHSVJNZEUNJ-IIIMJFFVSA-N 0 3 319.445 3.188 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000286879627 131253470 /nfs/dbraw/zinc/25/34/70/131253470.db2.gz ICYPIHYTBZALOG-HNNXBMFYSA-N 0 3 321.428 3.184 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CN(C)C)c1[O-] ZINC000287160495 131266970 /nfs/dbraw/zinc/26/69/70/131266970.db2.gz TYOFUHPSHFAGPC-WDEREUQCSA-N 0 3 315.255 3.064 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c([O-])c1 ZINC000288557538 131331124 /nfs/dbraw/zinc/33/11/24/131331124.db2.gz MAMYWGZFIRJZCJ-LIRRHRJNSA-N 0 3 315.413 3.393 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@@H]2COc3ccccc32)c([O-])c1 ZINC000288627380 131333395 /nfs/dbraw/zinc/33/33/95/131333395.db2.gz SHAIIQGFRLVTPB-OAHLLOKOSA-N 0 3 313.397 3.447 20 10 DGCDHN Cc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1[O-] ZINC000289456716 131388246 /nfs/dbraw/zinc/38/82/46/131388246.db2.gz NWNQKUOESNTGGI-CYBMUJFWSA-N 0 3 310.397 3.436 20 10 DGCDHN CN(C)c1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289641121 131403627 /nfs/dbraw/zinc/40/36/27/131403627.db2.gz SMSMROOPPZMUEQ-ROUUACIJSA-N 0 3 300.446 3.286 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)CC2 ZINC000297239862 132005313 /nfs/dbraw/zinc/00/53/13/132005313.db2.gz ILXBOYVIHHQWLN-LBPRGKRZSA-N 0 3 306.312 3.166 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(OCC3CC3)nc1)CC2 ZINC000297958166 132042138 /nfs/dbraw/zinc/04/21/38/132042138.db2.gz ZDNPQASEVGXUJH-INIZCTEOSA-N 0 3 310.397 3.353 20 10 DGCDHN CCOC(=O)N1CCC([NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000192882509 285809538 /nfs/dbraw/zinc/80/95/38/285809538.db2.gz PGWZERMTMBCILM-OAHLLOKOSA-N 0 3 306.406 3.054 20 10 DGCDHN COc1ccc([C@@H](CO)N(C)Cc2cc(C)c(C)cc2O)cc1 ZINC000093415463 400246183 /nfs/dbraw/zinc/24/61/83/400246183.db2.gz HCOKZZMAFAKCNA-GOSISDBHSA-N 0 3 315.413 3.183 20 10 DGCDHN COc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1C ZINC000075761240 400610206 /nfs/dbraw/zinc/61/02/06/400610206.db2.gz IJNQWGMIAVBLEI-UHFFFAOYSA-N 0 3 311.429 3.289 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686593 292166217 /nfs/dbraw/zinc/16/62/17/292166217.db2.gz LDKLFHWNESRZHN-ZIAGYGMSSA-N 0 3 315.392 3.164 20 10 DGCDHN Cc1ccncc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269673338 432195977 /nfs/dbraw/zinc/19/59/77/432195977.db2.gz YAVCCZBSLAWQPX-SFHVURJKSA-N 0 3 312.413 3.277 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1cccnc1)C[C@H]1CCCO1 ZINC000172164037 432200299 /nfs/dbraw/zinc/20/02/99/432200299.db2.gz UFCJKIGJVMZHQN-GOSISDBHSA-N 0 3 312.413 3.011 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1cccnc1)C[C@H]1CCCO1 ZINC000172164037 432200303 /nfs/dbraw/zinc/20/03/03/432200303.db2.gz UFCJKIGJVMZHQN-GOSISDBHSA-N 0 3 312.413 3.011 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCc2c(C)nn(C)c2C)cc1 ZINC000151131762 432221578 /nfs/dbraw/zinc/22/15/78/432221578.db2.gz GRHVPOZNCSZIBE-CYBMUJFWSA-N 0 3 300.450 3.344 20 10 DGCDHN CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000270207558 432229155 /nfs/dbraw/zinc/22/91/55/432229155.db2.gz KXJBTYUYLCJCSX-ZDUSSCGKSA-N 0 3 319.426 3.037 20 10 DGCDHN C[C@@H](NCc1cccnc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000151447484 432247495 /nfs/dbraw/zinc/24/74/95/432247495.db2.gz XFCZQVMAIJKXLW-OAHLLOKOSA-N 0 3 321.428 3.184 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc2c(c1)CC(=O)N2C ZINC000297601036 274259264 /nfs/dbraw/zinc/25/92/64/274259264.db2.gz IANPEBMXABCSGF-MLGOLLRUSA-N 0 3 322.408 3.249 20 10 DGCDHN CC(C)C(=O)NCCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178226066 277333295 /nfs/dbraw/zinc/33/32/95/277333295.db2.gz WFQOFRHPDQVIKB-INIZCTEOSA-N 0 3 317.477 3.100 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCSC[C@H](C)C2)c1[O-] ZINC000190845456 277378936 /nfs/dbraw/zinc/37/89/36/277378936.db2.gz AOCDMXKRUGGYEM-SNVBAGLBSA-N 0 3 301.839 3.239 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCSC[C@H](C)C2)c1[O-] ZINC000190845456 277378937 /nfs/dbraw/zinc/37/89/37/277378937.db2.gz AOCDMXKRUGGYEM-SNVBAGLBSA-N 0 3 301.839 3.239 20 10 DGCDHN C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000271640813 278355667 /nfs/dbraw/zinc/35/56/67/278355667.db2.gz DSYRLFOIGJJJOC-PBHICJAKSA-N 0 3 304.434 3.089 20 10 DGCDHN CN(C)c1ccc(CNC[C@@](C)(O)c2ccc(F)cc2F)cc1 ZINC000114509711 431393880 /nfs/dbraw/zinc/39/38/80/431393880.db2.gz IDMHIQZZOTYEPP-GOSISDBHSA-N 0 3 320.383 3.028 20 10 DGCDHN CC(C)OCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000119489095 431699284 /nfs/dbraw/zinc/69/92/84/431699284.db2.gz YLJQGZDGVNJHJI-QGZVFWFLSA-N 0 3 307.434 3.188 20 10 DGCDHN CC(C)OCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000119489095 431699288 /nfs/dbraw/zinc/69/92/88/431699288.db2.gz YLJQGZDGVNJHJI-QGZVFWFLSA-N 0 3 307.434 3.188 20 10 DGCDHN CCCOc1ccc(CN2CC[C@@H](C[N@H+](C)CCC)C2)c([O-])c1 ZINC000093742339 431917084 /nfs/dbraw/zinc/91/70/84/431917084.db2.gz BQSPBLJIZBMYDX-INIZCTEOSA-N 0 3 320.477 3.345 20 10 DGCDHN CCCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CCC)C2)c([O-])c1 ZINC000093742339 431917085 /nfs/dbraw/zinc/91/70/85/431917085.db2.gz BQSPBLJIZBMYDX-INIZCTEOSA-N 0 3 320.477 3.345 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183253821 432274778 /nfs/dbraw/zinc/27/47/78/432274778.db2.gz IQWPHGNFWVDPHS-GFCCVEGCSA-N 0 3 306.431 3.483 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183253821 432274783 /nfs/dbraw/zinc/27/47/83/432274783.db2.gz IQWPHGNFWVDPHS-GFCCVEGCSA-N 0 3 306.431 3.483 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1ccccc1[O-] ZINC000183316447 432281368 /nfs/dbraw/zinc/28/13/68/432281368.db2.gz IHPWEAXZIGVBPR-YJBOKZPZSA-N 0 3 315.413 3.181 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1ccccc1[O-] ZINC000183316503 432281437 /nfs/dbraw/zinc/28/14/37/432281437.db2.gz IHPWEAXZIGVBPR-CRAIPNDOSA-N 0 3 315.413 3.181 20 10 DGCDHN C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccccc1[O-] ZINC000183439181 432293273 /nfs/dbraw/zinc/29/32/73/432293273.db2.gz JDOJCDOZXHMCAU-ZDUSSCGKSA-N 0 3 302.443 3.163 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000183478619 432296281 /nfs/dbraw/zinc/29/62/81/432296281.db2.gz MLRUXJQMZZGDGF-LLVKDONJSA-N 0 3 302.340 3.070 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183513674 432298362 /nfs/dbraw/zinc/29/83/62/432298362.db2.gz HQESWEFCHRXNRH-UONOGXRCSA-N 0 3 320.433 3.442 20 10 DGCDHN CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])[C@H](C)C1 ZINC000183515060 432298764 /nfs/dbraw/zinc/29/87/64/432298764.db2.gz KVLBRBOPCKJWIC-SOLBZPMBSA-N 0 3 320.477 3.180 20 10 DGCDHN COc1ccc(N2CCC(NCc3cnc(C)s3)CC2)cc1 ZINC000102432697 431993721 /nfs/dbraw/zinc/99/37/21/431993721.db2.gz LMFOQHKJXZYSST-UHFFFAOYSA-N 0 3 317.458 3.219 20 10 DGCDHN CCC[N@H+](Cc1cccc(OC)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271214397 432355370 /nfs/dbraw/zinc/35/53/70/432355370.db2.gz WGKBRNBHSLDTCJ-QGTPRVQTSA-N 0 3 319.445 3.426 20 10 DGCDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271214397 432355372 /nfs/dbraw/zinc/35/53/72/432355372.db2.gz WGKBRNBHSLDTCJ-QGTPRVQTSA-N 0 3 319.445 3.426 20 10 DGCDHN COc1cccc(CN(C)C[C@@H]2OCCc3ccccc32)c1O ZINC000271133999 432334975 /nfs/dbraw/zinc/33/49/75/432334975.db2.gz LLUWGIGYLMUZLO-SFHVURJKSA-N 0 3 313.397 3.147 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCSCC[C@H]2C)c1[O-] ZINC000191816913 432304351 /nfs/dbraw/zinc/30/43/51/432304351.db2.gz MJNRMUUVJXGFQX-SNVBAGLBSA-N 0 3 301.839 3.382 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCSCC[C@H]2C)c1[O-] ZINC000191816913 432304354 /nfs/dbraw/zinc/30/43/54/432304354.db2.gz MJNRMUUVJXGFQX-SNVBAGLBSA-N 0 3 301.839 3.382 20 10 DGCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000183613107 432307525 /nfs/dbraw/zinc/30/75/25/432307525.db2.gz YAPIDBDMKVXHEM-KEYYUXOJSA-N 0 3 310.397 3.237 20 10 DGCDHN C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccccc1[O-] ZINC000183601231 432308411 /nfs/dbraw/zinc/30/84/11/432308411.db2.gz CGJXPUAFHCVPPB-HNNXBMFYSA-N 0 3 324.424 3.365 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000183631426 432311137 /nfs/dbraw/zinc/31/11/37/432311137.db2.gz LKKIGOQOWIENGB-NVXWUHKLSA-N 0 3 324.424 3.092 20 10 DGCDHN CCc1nc([C@@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)n[nH]1 ZINC000271443594 432397579 /nfs/dbraw/zinc/39/75/79/432397579.db2.gz FKTXFCXTMJXBLY-DOMZBBRYSA-N 0 3 301.438 3.235 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192922965 432429060 /nfs/dbraw/zinc/42/90/60/432429060.db2.gz XOGVJDVRIZOQAW-MRXNPFEDSA-N 0 3 314.404 3.143 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c1 ZINC000192952729 432433869 /nfs/dbraw/zinc/43/38/69/432433869.db2.gz LBPHKOZSQDCEKT-PBHICJAKSA-N 0 3 306.450 3.172 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1[O-] ZINC000184961266 432449646 /nfs/dbraw/zinc/44/96/46/432449646.db2.gz ZZGJNJAJRKYPBN-QGZVFWFLSA-N 0 3 305.805 3.351 20 10 DGCDHN C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(F)ccc1[O-] ZINC000184973678 432450097 /nfs/dbraw/zinc/45/00/97/432450097.db2.gz FBZVCIVSFVHPIN-ZDUSSCGKSA-N 0 3 315.392 3.377 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272183385 432457367 /nfs/dbraw/zinc/45/73/67/432457367.db2.gz KNSVTZPQIHCRBO-VQIMIIECSA-N 0 3 310.441 3.392 20 10 DGCDHN Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1[O-] ZINC000271696166 432422053 /nfs/dbraw/zinc/42/20/53/432422053.db2.gz BDPAQFKKNINTHG-UHFFFAOYSA-N 0 3 324.852 3.091 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1OC ZINC000271840654 432425838 /nfs/dbraw/zinc/42/58/38/432425838.db2.gz QPAOJLMUSFHOPL-CXAGYDPISA-N 0 3 323.433 3.093 20 10 DGCDHN CCOC(=O)N1CCC([NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000192882496 432425856 /nfs/dbraw/zinc/42/58/56/432425856.db2.gz PGWZERMTMBCILM-HNNXBMFYSA-N 0 3 306.406 3.054 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(N(C)C)c2)c1 ZINC000271854002 432426136 /nfs/dbraw/zinc/42/61/36/432426136.db2.gz RYLAHIPKQFWYIL-CYBMUJFWSA-N 0 3 300.402 3.318 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]CCc2nc3c(cccc3C)o2)c1 ZINC000271829598 432427257 /nfs/dbraw/zinc/42/72/57/432427257.db2.gz OQGAIGXFBJZSSJ-UHFFFAOYSA-N 0 3 312.369 3.183 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000185464560 432502754 /nfs/dbraw/zinc/50/27/54/432502754.db2.gz JCKJCBHTNUODRR-GDBMZVCRSA-N 0 3 324.424 3.436 20 10 DGCDHN C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000185475486 432504308 /nfs/dbraw/zinc/50/43/08/432504308.db2.gz HJKDITBZTMCCCR-MCMMXHMISA-N 0 3 323.502 3.469 20 10 DGCDHN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000193911363 432508760 /nfs/dbraw/zinc/50/87/60/432508760.db2.gz QIFBESRKNVIFFJ-OAHLLOKOSA-N 0 3 312.413 3.090 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](OC)c2ccccc2)c1 ZINC000185101872 432467000 /nfs/dbraw/zinc/46/70/00/432467000.db2.gz JBWVEXFXVSRCKB-ACJLOTCBSA-N 0 3 301.386 3.439 20 10 DGCDHN CCN1CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000263674598 432565242 /nfs/dbraw/zinc/56/52/42/432565242.db2.gz KSDMMNFNQWPBTP-INIZCTEOSA-N 0 3 310.441 3.491 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000263642444 432561435 /nfs/dbraw/zinc/56/14/35/432561435.db2.gz AFEBDGTXKQTIKE-OAHLLOKOSA-N 0 3 311.303 3.072 20 10 DGCDHN COc1ccc(COCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185861571 432539247 /nfs/dbraw/zinc/53/92/47/432539247.db2.gz KLQZCXPUDYCLJS-CYBMUJFWSA-N 0 3 319.376 3.407 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186354998 432586528 /nfs/dbraw/zinc/58/65/28/432586528.db2.gz WZEHTVZGWQUYOY-OLUCIUBSSA-N 0 3 317.429 3.399 20 10 DGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1 ZINC000195454624 432623691 /nfs/dbraw/zinc/62/36/91/432623691.db2.gz VJVMUGHMHAUMQL-HNNXBMFYSA-N 0 3 312.413 3.080 20 10 DGCDHN CCC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187197543 432651331 /nfs/dbraw/zinc/65/13/31/432651331.db2.gz JBVKTNRTXPPONZ-JQWIXIFHSA-N 0 3 316.239 3.275 20 10 DGCDHN CCC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187197590 432651394 /nfs/dbraw/zinc/65/13/94/432651394.db2.gz JBVKTNRTXPPONZ-ZYHUDNBSSA-N 0 3 316.239 3.275 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1Cl ZINC000187246091 432653845 /nfs/dbraw/zinc/65/38/45/432653845.db2.gz AGHQOGBFKGJNPP-MRXNPFEDSA-N 0 3 309.768 3.350 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1Cl ZINC000187246091 432653848 /nfs/dbraw/zinc/65/38/48/432653848.db2.gz AGHQOGBFKGJNPP-MRXNPFEDSA-N 0 3 309.768 3.350 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000264521904 432654976 /nfs/dbraw/zinc/65/49/76/432654976.db2.gz ADPHQEGOTGKNBN-CQSZACIVSA-N 0 3 323.440 3.122 20 10 DGCDHN CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178095489 432693421 /nfs/dbraw/zinc/69/34/21/432693421.db2.gz PXSWNLOMTSHLBA-BBRMVZONSA-N 0 3 305.466 3.097 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000187909780 432691630 /nfs/dbraw/zinc/69/16/30/432691630.db2.gz YKZUGNAXFRYVSM-LIRRHRJNSA-N 0 3 315.413 3.349 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1 ZINC000237206069 432782140 /nfs/dbraw/zinc/78/21/40/432782140.db2.gz YGBINVZWLLRZDG-CYBMUJFWSA-N 0 3 301.386 3.217 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000276838177 432826554 /nfs/dbraw/zinc/82/65/54/432826554.db2.gz SFJYDHLHZWQIDJ-INIZCTEOSA-N 0 3 305.418 3.372 20 10 DGCDHN OCC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000288385477 432891466 /nfs/dbraw/zinc/89/14/66/432891466.db2.gz GLBFNDCBYYOQLZ-KRWDZBQOSA-N 0 3 317.816 3.488 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCO[C@@]3(CCSC3)C1)CC2 ZINC000297028280 432950403 /nfs/dbraw/zinc/95/04/03/432950403.db2.gz UQHWBLGCCOCYDT-VBQJREDUSA-N 0 3 305.443 3.024 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c1[O-] ZINC000289998106 432982568 /nfs/dbraw/zinc/98/25/68/432982568.db2.gz CTPCGJNNOVKRAO-BZNIZROVSA-N 0 3 321.804 3.266 20 10 DGCDHN COc1ccc(O)c(CN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000290114890 432994631 /nfs/dbraw/zinc/99/46/31/432994631.db2.gz ILNKAEPUCPBFNX-MRXNPFEDSA-N 0 3 321.804 3.268 20 10 DGCDHN CC[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000280028720 432999091 /nfs/dbraw/zinc/99/90/91/432999091.db2.gz HYFPYDXDIDBHFQ-DOTOQJQBSA-N 0 3 307.434 3.327 20 10 DGCDHN CC[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(C)cc1[O-] ZINC000280038633 433000138 /nfs/dbraw/zinc/00/01/38/433000138.db2.gz ISOVNQLOIRJLJA-QGZVFWFLSA-N 0 3 307.434 3.327 20 10 DGCDHN CCNC(=O)C1(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])CCC1 ZINC000280052412 433001174 /nfs/dbraw/zinc/00/11/74/433001174.db2.gz JRKLIOXWPOPTFW-OAHLLOKOSA-N 0 3 304.434 3.048 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@](CO)(CCC)C2)c([O-])c1 ZINC000290169220 433005450 /nfs/dbraw/zinc/00/54/50/433005450.db2.gz MQTDASAAZWKVRY-SFHVURJKSA-N 0 3 307.434 3.166 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@@](CO)(CCC)C2)c([O-])c1 ZINC000290169220 433005453 /nfs/dbraw/zinc/00/54/53/433005453.db2.gz MQTDASAAZWKVRY-SFHVURJKSA-N 0 3 307.434 3.166 20 10 DGCDHN CC[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(C)cc1[O-] ZINC000280151540 433006392 /nfs/dbraw/zinc/00/63/92/433006392.db2.gz QFTWDFZSIYGIBR-INIZCTEOSA-N 0 3 304.434 3.048 20 10 DGCDHN CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000290232685 433016378 /nfs/dbraw/zinc/01/63/78/433016378.db2.gz SZWGKXFSAWWXLR-INIZCTEOSA-N 0 3 313.825 3.039 20 10 DGCDHN CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000290232685 433016383 /nfs/dbraw/zinc/01/63/83/433016383.db2.gz SZWGKXFSAWWXLR-INIZCTEOSA-N 0 3 313.825 3.039 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000290286980 433027188 /nfs/dbraw/zinc/02/71/88/433027188.db2.gz ZSRKZCRAGLKNMY-OAHLLOKOSA-N 0 3 309.768 3.398 20 10 DGCDHN COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2[O-])CCCCC1 ZINC000290375203 433040375 /nfs/dbraw/zinc/04/03/75/433040375.db2.gz ATTQXYHUJGPYCO-UHFFFAOYSA-N 0 3 323.433 3.096 20 10 DGCDHN COc1cccc(C[NH2+]CCc2ccc(SC)cc2)c1[O-] ZINC000280644153 433120340 /nfs/dbraw/zinc/12/03/40/433120340.db2.gz NMSLBKYAATWQMH-UHFFFAOYSA-N 0 3 303.427 3.455 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1[O-] ZINC000374159691 433176274 /nfs/dbraw/zinc/17/62/74/433176274.db2.gz MFUINNOVCCRLKW-XKQJLSEDSA-N 0 3 305.418 3.084 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@H](n3cc(C)cn3)C2)c1O ZINC000290913337 433204821 /nfs/dbraw/zinc/20/48/21/433204821.db2.gz NEMFXVNZGKKPKX-AWEZNQCLSA-N 0 3 321.808 3.006 20 10 DGCDHN OC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC000291317086 433235327 /nfs/dbraw/zinc/23/53/27/433235327.db2.gz SGADJDFJIVMZTN-INIZCTEOSA-N 0 3 324.415 3.126 20 10 DGCDHN CN(C)c1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000281828567 433398050 /nfs/dbraw/zinc/39/80/50/433398050.db2.gz XPFQHIHHARPQRM-HXUWFJFHSA-N 0 3 310.441 3.066 20 10 DGCDHN C[C@H](NCC1([S@](C)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000282317566 433563054 /nfs/dbraw/zinc/56/30/54/433563054.db2.gz NJCQEUYCYHJJKO-NYHFZMIOSA-N 0 3 320.502 3.239 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000282411436 433597054 /nfs/dbraw/zinc/59/70/54/433597054.db2.gz ZCNWNIVPQFDKIZ-QDMKHBRRSA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000293272390 433680789 /nfs/dbraw/zinc/68/07/89/433680789.db2.gz CLLOBTSVIWPFIG-UONOGXRCSA-N 0 3 300.377 3.461 20 10 DGCDHN C[C@@H](N[C@@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000283376165 433711677 /nfs/dbraw/zinc/71/16/77/433711677.db2.gz OJHGVBVBWSVBLX-MLGOLLRUSA-N 0 3 324.465 3.207 20 10 DGCDHN C[C@H](N[C@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000283376163 433713926 /nfs/dbraw/zinc/71/39/26/433713926.db2.gz OJHGVBVBWSVBLX-LRDDRELGSA-N 0 3 324.465 3.207 20 10 DGCDHN Cc1sccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000293477044 433750994 /nfs/dbraw/zinc/75/09/94/433750994.db2.gz FLCTYLFBGBZLDE-UHFFFAOYSA-N 0 3 302.443 3.183 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCCC2(C)C)c1[O-] ZINC000293720668 433843598 /nfs/dbraw/zinc/84/35/98/433843598.db2.gz TXCGYTMYFWKFCX-MRXNPFEDSA-N 0 3 313.825 3.085 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c([O-])c1 ZINC000294067264 433984600 /nfs/dbraw/zinc/98/46/00/433984600.db2.gz YHFXYVRNFBESAI-KRWDZBQOSA-N 0 3 305.418 3.060 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)c([O-])c1 ZINC000294067264 433984613 /nfs/dbraw/zinc/98/46/13/433984613.db2.gz YHFXYVRNFBESAI-KRWDZBQOSA-N 0 3 305.418 3.060 20 10 DGCDHN COc1ccc(N2CCCN(Cc3cnccc3C)CC2)cc1 ZINC000372191127 434809490 /nfs/dbraw/zinc/80/94/90/434809490.db2.gz GCGLXPRQAMGLJX-UHFFFAOYSA-N 0 3 311.429 3.111 20 10 DGCDHN CCN(CC)C(=O)C[C@H](C)NCc1c(C)c2ccccc2n1C ZINC000475188869 435183498 /nfs/dbraw/zinc/18/34/98/435183498.db2.gz BTEGDDNVQLEJNK-AWEZNQCLSA-N 0 3 315.461 3.223 20 10 DGCDHN COc1cccc([C@H](C[NH2+]Cc2cc(C)c(C)cc2[O-])OC)c1 ZINC000527736449 337759797 /nfs/dbraw/zinc/75/97/97/337759797.db2.gz LWICRJSLWWMIJW-IBGZPJMESA-N 0 3 315.413 3.495 20 10 DGCDHN C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1[O-] ZINC000183379627 533835964 /nfs/dbraw/zinc/83/59/64/533835964.db2.gz ZJJXPDIEOSLUOR-INIZCTEOSA-N 0 3 318.461 3.078 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000185694851 534196473 /nfs/dbraw/zinc/19/64/73/534196473.db2.gz RVFLBFFQOHHUBD-UHFFFAOYSA-N 0 3 312.413 3.016 20 10 DGCDHN Oc1cc2c(cc1CN1CCC(OC3CCCC3)CC1)OCO2 ZINC000129054502 534448554 /nfs/dbraw/zinc/44/85/54/534448554.db2.gz JVXGKRSTMLSLAG-UHFFFAOYSA-N 0 3 319.401 3.045 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000189837826 521151505 /nfs/dbraw/zinc/15/15/05/521151505.db2.gz FVASJESUQHCJLD-IBGZPJMESA-N 0 3 315.413 3.178 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000267203720 521372160 /nfs/dbraw/zinc/37/21/60/521372160.db2.gz PEKBVCDNJZYAGG-SJCJKPOMSA-N 0 3 319.376 3.142 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1[O-] ZINC000156781184 522952628 /nfs/dbraw/zinc/95/26/28/522952628.db2.gz NNRFVIFKOUESMJ-YSVLISHTSA-N 0 3 307.459 3.488 20 10 DGCDHN CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000191695377 523899088 /nfs/dbraw/zinc/89/90/88/523899088.db2.gz IHMFFYXGLYTTHS-LSDHHAIUSA-N 0 3 315.413 3.484 20 10 DGCDHN COc1ccc(COCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000179879835 524115299 /nfs/dbraw/zinc/11/52/99/524115299.db2.gz PYFWMVNFRIRTGW-CQSZACIVSA-N 0 3 301.386 3.268 20 10 DGCDHN Cc1cccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000188750734 524432850 /nfs/dbraw/zinc/43/28/50/524432850.db2.gz KHKBFWSUDRBEDW-UHFFFAOYSA-N 0 3 316.367 3.065 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OC)c(F)c2)c1 ZINC000182342345 524764627 /nfs/dbraw/zinc/76/46/27/524764627.db2.gz KWQCFDKPNLYTSN-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc2c(cc1[O-])CCCC2 ZINC000188002126 525559893 /nfs/dbraw/zinc/55/98/93/525559893.db2.gz MAUXOPCQMKRLOT-PMUMKWKESA-N 0 3 303.446 3.473 20 10 DGCDHN Cc1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2[O-])N2CCCC2)o1 ZINC000180917960 525762383 /nfs/dbraw/zinc/76/23/83/525762383.db2.gz NMDVSFAAQZCRCD-MRXNPFEDSA-N 0 3 318.392 3.359 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000157030741 526353910 /nfs/dbraw/zinc/35/39/10/526353910.db2.gz QZRBWABHHGZJHK-UHFFFAOYSA-N 0 3 322.412 3.049 20 10 DGCDHN c1cc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000367722933 526438497 /nfs/dbraw/zinc/43/84/97/526438497.db2.gz BYZDUMUHELNEPC-HXUWFJFHSA-N 0 3 323.440 3.255 20 10 DGCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1[N+](=O)[O-] ZINC000273571558 536896694 /nfs/dbraw/zinc/89/66/94/536896694.db2.gz KRSHVEJAXNFBFL-LBPRGKRZSA-N 0 3 316.357 3.468 20 10 DGCDHN C[C@@H]1CCN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC000323662134 546477161 /nfs/dbraw/zinc/47/71/61/546477161.db2.gz USFIKYYOTBLSLE-CQSZACIVSA-N 0 3 306.409 3.486 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000733324358 574615559 /nfs/dbraw/zinc/61/55/59/574615559.db2.gz RLXRGGRVIHYLLD-UHFFFAOYSA-N 0 3 307.397 3.235 20 10 DGCDHN COc1cccc2c1OCC[C@@H]2NCc1ccc(N(C)C)cc1 ZINC000733332144 574616933 /nfs/dbraw/zinc/61/69/33/574616933.db2.gz OMIRIORQIUJAKN-KRWDZBQOSA-N 0 3 312.413 3.375 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000736647046 574762013 /nfs/dbraw/zinc/76/20/13/574762013.db2.gz CHAVKCYVEJZIEO-SFHVURJKSA-N 0 3 319.408 3.429 20 10 DGCDHN CC(C)N1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000738438742 574869923 /nfs/dbraw/zinc/86/99/23/574869923.db2.gz BPLXDZDKXPGRAZ-SFHVURJKSA-N 0 3 324.424 3.158 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000740759307 574941413 /nfs/dbraw/zinc/94/14/13/574941413.db2.gz XEBKHDXWLARHFF-QGZVFWFLSA-N 0 3 313.397 3.273 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000740759307 574941416 /nfs/dbraw/zinc/94/14/16/574941416.db2.gz XEBKHDXWLARHFF-QGZVFWFLSA-N 0 3 313.397 3.273 20 10 DGCDHN Cc1ncc(CNCc2cc(C)ccc2O)n1-c1ccccc1 ZINC000742709620 575014106 /nfs/dbraw/zinc/01/41/06/575014106.db2.gz KZYLLDQUZGCJDK-UHFFFAOYSA-N 0 3 307.397 3.485 20 10 DGCDHN COc1cccc(CNCc2cnc(C)n2-c2ccccc2)c1O ZINC000742709450 575014179 /nfs/dbraw/zinc/01/41/79/575014179.db2.gz GNHQJBJUSQFBTQ-UHFFFAOYSA-N 0 3 323.396 3.185 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]CCCC(=O)OC(C)(C)C)c1 ZINC000744450478 575343769 /nfs/dbraw/zinc/34/37/69/575343769.db2.gz WLGFRVWROABQTN-UHFFFAOYSA-N 0 3 309.406 3.002 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](COC)Cc2ccccc2)c1 ZINC000747100912 575496453 /nfs/dbraw/zinc/49/64/53/575496453.db2.gz XZYONIWUVCOOTQ-QGZVFWFLSA-N 0 3 315.413 3.138 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CC2(C)CC2)c1[O-] ZINC000748098474 575561400 /nfs/dbraw/zinc/56/14/00/575561400.db2.gz FDVMCBMCHGTTQL-UHFFFAOYSA-N 0 3 300.196 3.053 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@@H]2CCCN(C)C2=O)cc1 ZINC000748242478 575574427 /nfs/dbraw/zinc/57/44/27/575574427.db2.gz NIBWBANDWGWLSQ-GOSISDBHSA-N 0 3 317.477 3.023 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCn1ccnc1 ZINC000725841385 575926771 /nfs/dbraw/zinc/92/67/71/575926771.db2.gz CZYFXMNVVSWLEZ-UHFFFAOYSA-N 0 3 307.397 3.436 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000725847998 575929670 /nfs/dbraw/zinc/92/96/70/575929670.db2.gz MDYHDFJGQRTMMR-CYBMUJFWSA-N 0 3 312.369 3.200 20 10 DGCDHN CN(Cc1ccc(N(C)C)cc1)C[C@H]1COc2ccccc2O1 ZINC000726981090 576091150 /nfs/dbraw/zinc/09/11/50/576091150.db2.gz MTCAICNSGHCYDU-KRWDZBQOSA-N 0 3 312.413 3.024 20 10 DGCDHN CN(Cc1ccc(N(C)C)cc1)C[C@@H]1COc2ccccc2O1 ZINC000726981091 576091400 /nfs/dbraw/zinc/09/14/00/576091400.db2.gz MTCAICNSGHCYDU-QGZVFWFLSA-N 0 3 312.413 3.024 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4COC[C@]4(C)C3)c2c1 ZINC000853567105 620710171 /nfs/dbraw/zinc/71/01/71/620710171.db2.gz SYBGUUKHKPWYGG-KUHUBIRLSA-N 0 3 313.397 3.022 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4COC[C@]4(C)C3)c2c1 ZINC000853567105 620710173 /nfs/dbraw/zinc/71/01/73/620710173.db2.gz SYBGUUKHKPWYGG-KUHUBIRLSA-N 0 3 313.397 3.022 20 10 DGCDHN CCCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891254606 617760898 /nfs/dbraw/zinc/76/08/98/617760898.db2.gz ZMVFIFDIEGIEJL-QGZVFWFLSA-N 0 3 317.477 3.052 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1nccn1C ZINC000840894448 618337498 /nfs/dbraw/zinc/33/74/98/618337498.db2.gz RNZAYKYOJDFWHE-GJZGRUSLSA-N 0 3 300.450 3.076 20 10 DGCDHN COc1ccc(C[N@H+](C)C2CCC(F)(F)CC2)c([O-])c1OC ZINC000894517577 618367880 /nfs/dbraw/zinc/36/78/80/618367880.db2.gz LKQDRVAQUUNGDN-UHFFFAOYSA-N 0 3 315.360 3.419 20 10 DGCDHN COc1ccc(C[N@@H+](C)C2CCC(F)(F)CC2)c([O-])c1OC ZINC000894517577 618367887 /nfs/dbraw/zinc/36/78/87/618367887.db2.gz LKQDRVAQUUNGDN-UHFFFAOYSA-N 0 3 315.360 3.419 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000840896619 618405154 /nfs/dbraw/zinc/40/51/54/618405154.db2.gz JIVRHIGSBZXXPD-HIFRSBDPSA-N 0 3 300.377 3.461 20 10 DGCDHN COc1ccc(CNCc2cc(C)cc(OC)c2OC)c(O)c1 ZINC000894640556 618408843 /nfs/dbraw/zinc/40/88/43/618408843.db2.gz ZPNNZHJIMMVMPY-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2OC)c([O-])c1 ZINC000894640556 618408844 /nfs/dbraw/zinc/40/88/44/618408844.db2.gz ZPNNZHJIMMVMPY-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN O=C(c1cc([O-])cs1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000854470222 620806607 /nfs/dbraw/zinc/80/66/07/620806607.db2.gz YTMPVEQJSHURLT-UHFFFAOYSA-N 0 3 322.474 3.324 20 10 DGCDHN COc1cc(C)cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000894369666 618773280 /nfs/dbraw/zinc/77/32/80/618773280.db2.gz BCOIPTUURMFZLS-GFCCVEGCSA-N 0 3 316.357 3.468 20 10 DGCDHN CCOc1ccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c([O-])c1 ZINC000895657675 618813113 /nfs/dbraw/zinc/81/31/13/618813113.db2.gz CXSWGLDBGPKLAK-GOSISDBHSA-N 0 3 315.413 3.393 20 10 DGCDHN CN(C)c1cc(F)c(CN2CC[C@@H]([C@H]3CCCO3)C2)cc1F ZINC000895846420 618841244 /nfs/dbraw/zinc/84/12/44/618841244.db2.gz UBKFKXDIUAGFLR-SJKOYZFVSA-N 0 3 310.388 3.032 20 10 DGCDHN Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1c(C)cccc1[O-] ZINC000896270612 618895480 /nfs/dbraw/zinc/89/54/80/618895480.db2.gz JSJHNXYYTGZOJO-UHFFFAOYSA-N 0 3 313.323 3.014 20 10 DGCDHN C[C@H]1COC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000896737351 618951550 /nfs/dbraw/zinc/95/15/50/618951550.db2.gz RRYAZBNSYZBJSG-KBXCAEBGSA-N 0 3 313.397 3.096 20 10 DGCDHN Cc1ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC000896808047 618961979 /nfs/dbraw/zinc/96/19/79/618961979.db2.gz BHKPEGADKVPNDO-TZMCWYRMSA-N 0 3 303.324 3.290 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000896810597 618964295 /nfs/dbraw/zinc/96/42/95/618964295.db2.gz WVYJBYRELMMVDV-SMDDNHRTSA-N 0 3 303.324 3.290 20 10 DGCDHN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3c(C)cccc3[O-])C2)n1 ZINC000897042933 619007507 /nfs/dbraw/zinc/00/75/07/619007507.db2.gz IKCOCKIUEJNVPX-OLZOCXBDSA-N 0 3 301.390 3.072 20 10 DGCDHN COc1ccc(O)c(CNCc2cccc(Cl)c2OC)c1 ZINC000897481235 619134842 /nfs/dbraw/zinc/13/48/42/619134842.db2.gz BQAAJRCXFZPIES-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897822742 619185595 /nfs/dbraw/zinc/18/55/95/619185595.db2.gz ISMDUEKNPLROGE-YSDSKTICSA-N 0 3 307.393 3.325 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000897862388 619189023 /nfs/dbraw/zinc/18/90/23/619189023.db2.gz GNSSGUVBUWWXQY-UHFFFAOYSA-N 0 3 315.344 3.081 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000903240531 619743027 /nfs/dbraw/zinc/74/30/27/619743027.db2.gz ZPSBTBPIKRHHET-CYBMUJFWSA-N 0 3 320.433 3.409 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1ccccc1[O-] ZINC000903271146 619749899 /nfs/dbraw/zinc/74/98/99/619749899.db2.gz JLWAOUQDGUZEES-XHSDSOJGSA-N 0 3 306.475 3.013 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000903271908 619750164 /nfs/dbraw/zinc/75/01/64/619750164.db2.gz QCPZVKQALNHNMU-KNBMTAEXSA-N 0 3 311.425 3.444 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)c1[O-] ZINC000903395294 619767063 /nfs/dbraw/zinc/76/70/63/619767063.db2.gz KUCGXPACSSGDRB-KWBADKCTSA-N 0 3 314.223 3.149 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)c1[O-] ZINC000903395293 619767074 /nfs/dbraw/zinc/76/70/74/619767074.db2.gz KUCGXPACSSGDRB-GBIKHYSHSA-N 0 3 314.223 3.149 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCOC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000903389898 619770925 /nfs/dbraw/zinc/77/09/25/619770925.db2.gz PBFNDRJYBGBFJW-ZLDLUXBVSA-N 0 3 321.392 3.007 20 10 DGCDHN Cc1ccc(O)c(CNC(=O)c2ccc(NC3=NCCC3)cc2)c1 ZINC000913000306 620418989 /nfs/dbraw/zinc/41/89/89/620418989.db2.gz GPWICHJSCUXHAV-UHFFFAOYSA-N 0 3 323.396 3.235 20 10 DGCDHN COC(=O)CC[N@H+](Cc1c([O-])ccc2ccccc21)C(C)C ZINC000112959201 620864378 /nfs/dbraw/zinc/86/43/78/620864378.db2.gz BLHAPGWRMYHPGY-UHFFFAOYSA-N 0 3 301.386 3.319 20 10 DGCDHN COC(=O)CC[N@@H+](Cc1c([O-])ccc2ccccc21)C(C)C ZINC000112959201 620864381 /nfs/dbraw/zinc/86/43/81/620864381.db2.gz BLHAPGWRMYHPGY-UHFFFAOYSA-N 0 3 301.386 3.319 20 10 DGCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000921738879 620942388 /nfs/dbraw/zinc/94/23/88/620942388.db2.gz VRSSOBRPNVVUGO-LBPRGKRZSA-N 0 3 323.396 3.444 20 10 DGCDHN COc1cc2c(c(CNCc3cc(C)ccc3O)c1)O[C@@H](C)C2 ZINC000858238132 621167301 /nfs/dbraw/zinc/16/73/01/621167301.db2.gz VVBGEYAOWFJILE-ZDUSSCGKSA-N 0 3 313.397 3.322 20 10 DGCDHN COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000858473890 621195619 /nfs/dbraw/zinc/19/56/19/621195619.db2.gz RLFXELRJDNFZIM-MFKMUULPSA-N 0 3 309.793 3.266 20 10 DGCDHN CCOC(=O)C1=CC[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2[O-])C1 ZINC000858508729 621200271 /nfs/dbraw/zinc/20/02/71/621200271.db2.gz OPDLDEJURATYJE-HOCLYGCPSA-N 0 3 303.402 3.393 20 10 DGCDHN Fc1cc(CN2CC(C3CCCC3)C2)ccc1N1CCOCC1 ZINC000839143180 621340880 /nfs/dbraw/zinc/34/08/80/621340880.db2.gz NMKXQYUVOFSOQY-UHFFFAOYSA-N 0 3 318.436 3.284 20 10 DGCDHN CCOc1ccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c(O)c1 ZINC000752923782 621416098 /nfs/dbraw/zinc/41/60/98/621416098.db2.gz GSQOIAUURAILSG-NEPJUHHUSA-N 0 3 318.421 3.273 20 10 DGCDHN COc1ccc(O)c(CN2CCN(c3ccc(C)cc3)CC2)c1 ZINC000753577344 621450381 /nfs/dbraw/zinc/45/03/81/621450381.db2.gz SIYBMDQUDCXXRT-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@]2(C)CCO[C@H]2C)c1[O-] ZINC000753577379 621450550 /nfs/dbraw/zinc/45/05/50/621450550.db2.gz USAOUTTUXMMXGA-IINYFYTJSA-N 0 3 314.223 3.120 20 10 DGCDHN Oc1ccccc1CN(CCC1OCCCO1)Cc1ccco1 ZINC000754653053 621522523 /nfs/dbraw/zinc/52/25/23/621522523.db2.gz ANZZDJPSFRSHIL-UHFFFAOYSA-N 0 3 317.385 3.141 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCC1OCCCO1)Cc1ccco1 ZINC000754653053 621522524 /nfs/dbraw/zinc/52/25/24/621522524.db2.gz ANZZDJPSFRSHIL-UHFFFAOYSA-N 0 3 317.385 3.141 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCC1OCCCO1)Cc1ccco1 ZINC000754653053 621522526 /nfs/dbraw/zinc/52/25/26/621522526.db2.gz ANZZDJPSFRSHIL-UHFFFAOYSA-N 0 3 317.385 3.141 20 10 DGCDHN C[C@@H](CO)N(Cc1cc(F)c(N(C)C)cc1F)CC1CCC1 ZINC000862358870 621577901 /nfs/dbraw/zinc/57/79/01/621577901.db2.gz YKYPYTUAATXVQP-LBPRGKRZSA-N 0 3 312.404 3.014 20 10 DGCDHN CC[C@@H](C)[N@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000862387449 621582834 /nfs/dbraw/zinc/58/28/34/621582834.db2.gz LYEAQBMIYHYPPN-LLVKDONJSA-N 0 3 316.239 3.056 20 10 DGCDHN CC[C@@H](C)[N@@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000862387449 621582837 /nfs/dbraw/zinc/58/28/37/621582837.db2.gz LYEAQBMIYHYPPN-LLVKDONJSA-N 0 3 316.239 3.056 20 10 DGCDHN CCN(CC)c1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000756136406 621617648 /nfs/dbraw/zinc/61/76/48/621617648.db2.gz IEXYUFLWAIZQBK-UHFFFAOYSA-N 0 3 311.429 3.192 20 10 DGCDHN Cc1ccc(O)c(CNCc2ccnn2CCc2ccccc2)c1 ZINC000756140924 621617999 /nfs/dbraw/zinc/61/79/99/621617999.db2.gz UUDJKTRLTWRJBS-UHFFFAOYSA-N 0 3 321.424 3.430 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cn1 ZINC000756380247 621633432 /nfs/dbraw/zinc/63/34/32/621633432.db2.gz FQGRODMLDPITKY-GXFFZTMASA-N 0 3 302.349 3.273 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000756460844 621640197 /nfs/dbraw/zinc/64/01/97/621640197.db2.gz UIRHEQNVTUYNLI-ZFWWWQNUSA-N 0 3 303.377 3.033 20 10 DGCDHN COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000756555061 621647622 /nfs/dbraw/zinc/64/76/22/621647622.db2.gz QIPMWDQVYPCMFE-HNNXBMFYSA-N 0 3 320.477 3.241 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756568399 621649819 /nfs/dbraw/zinc/64/98/19/621649819.db2.gz DSNPPJMIGDZZQD-GXSJLCMTSA-N 0 3 320.330 3.163 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCN(C)CC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756568402 621649867 /nfs/dbraw/zinc/64/98/67/621649867.db2.gz DSNPPJMIGDZZQD-KOLCDFICSA-N 0 3 320.330 3.163 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756584851 621651110 /nfs/dbraw/zinc/65/11/10/621651110.db2.gz HDTJTWQPBFDWFW-KCPJHIHWSA-N 0 3 301.361 3.403 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756632999 621654776 /nfs/dbraw/zinc/65/47/76/621654776.db2.gz GKGHMPKXOXYLFR-XNRPHZJLSA-N 0 3 315.388 3.445 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756640104 621655084 /nfs/dbraw/zinc/65/50/84/621655084.db2.gz IRUPUQUBAOJXII-ZAZJYDDPSA-N 0 3 304.409 3.294 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c([O-])c1 ZINC000756661221 621657107 /nfs/dbraw/zinc/65/71/07/621657107.db2.gz ZHISBLNFKOWEHD-GDBMZVCRSA-N 0 3 316.445 3.142 20 10 DGCDHN C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756712040 621659880 /nfs/dbraw/zinc/65/98/80/621659880.db2.gz PDXRXTFFAZHRRL-IGCXYCKISA-N 0 3 303.377 3.347 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCCOC2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756734787 621661403 /nfs/dbraw/zinc/66/14/03/621661403.db2.gz ZNWOCXMHIKFWDK-IUODEOHRSA-N 0 3 323.408 3.255 20 10 DGCDHN Cc1cccc(NCC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC000756746200 621662404 /nfs/dbraw/zinc/66/24/04/621662404.db2.gz IOEKDYMBGDHKQB-SMDDNHRTSA-N 0 3 315.392 3.485 20 10 DGCDHN Oc1cc2c(cc1CN1CCC(CC(F)(F)F)CC1)OCO2 ZINC000789529497 625517734 /nfs/dbraw/zinc/51/77/34/625517734.db2.gz XXSUZNPCAZOLOQ-UHFFFAOYSA-N 0 3 317.307 3.285 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCOCC3CC3)c2c1 ZINC000120387994 621859030 /nfs/dbraw/zinc/85/90/30/621859030.db2.gz QHOPIMKDOOTYAL-UHFFFAOYSA-N 0 3 315.413 3.412 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCOCC3CC3)c2c1 ZINC000120387994 621859036 /nfs/dbraw/zinc/85/90/36/621859036.db2.gz QHOPIMKDOOTYAL-UHFFFAOYSA-N 0 3 315.413 3.412 20 10 DGCDHN COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c([O-])cccc1OC ZINC000789584024 625530370 /nfs/dbraw/zinc/53/03/70/625530370.db2.gz BJBSZTKWOCCTJW-MRXNPFEDSA-N 0 3 315.413 3.090 20 10 DGCDHN COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c([O-])cccc1OC ZINC000789584024 625530376 /nfs/dbraw/zinc/53/03/76/625530376.db2.gz BJBSZTKWOCCTJW-MRXNPFEDSA-N 0 3 315.413 3.090 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)F)c1[O-] ZINC000865654602 621972209 /nfs/dbraw/zinc/97/22/09/621972209.db2.gz RXASUVMMSWXUQQ-UHFFFAOYSA-N 0 3 306.175 3.001 20 10 DGCDHN CC[C@H](N[C@H](C)[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866465791 622122767 /nfs/dbraw/zinc/12/27/67/622122767.db2.gz VKIYWPRTXUYCPQ-DDTOSNHZSA-N 0 3 304.356 3.105 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(C)cc1[O-] ZINC000866533372 622133595 /nfs/dbraw/zinc/13/35/95/622133595.db2.gz QKYVBZCSASDQTQ-WBVHZDCISA-N 0 3 319.445 3.327 20 10 DGCDHN CCc1cc(CNC2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000766135613 622308085 /nfs/dbraw/zinc/30/80/85/622308085.db2.gz MGVDOQXMDWMHFQ-UHFFFAOYSA-N 0 3 315.417 3.004 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC000767196975 622382075 /nfs/dbraw/zinc/38/20/75/622382075.db2.gz ZWMRVLZPNBYNCS-ZWKOTPCHSA-N 0 3 305.418 3.086 20 10 DGCDHN COc1ccc(N2CCC(NCc3ncc(C)s3)CC2)cc1 ZINC000122933948 622432810 /nfs/dbraw/zinc/43/28/10/622432810.db2.gz FLPPLZCGLNURER-UHFFFAOYSA-N 0 3 317.458 3.219 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(Cc3ccccc3C)CC2)c1 ZINC000768195064 622445076 /nfs/dbraw/zinc/44/50/76/622445076.db2.gz KISJJTDJQAHDOZ-UHFFFAOYSA-N 0 3 310.441 3.327 20 10 DGCDHN CC(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768449286 622456688 /nfs/dbraw/zinc/45/66/88/622456688.db2.gz ZABGVBPIQVSICB-SUMWQHHRSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768449286 622456689 /nfs/dbraw/zinc/45/66/89/622456689.db2.gz ZABGVBPIQVSICB-SUMWQHHRSA-N 0 3 305.418 3.076 20 10 DGCDHN COCC[N@H+](CCc1ccccc1)Cc1c([O-])cccc1OC ZINC000768584577 622465506 /nfs/dbraw/zinc/46/55/06/622465506.db2.gz MWRWQBXVYBNZRJ-UHFFFAOYSA-N 0 3 315.413 3.092 20 10 DGCDHN COCC[N@@H+](CCc1ccccc1)Cc1c([O-])cccc1OC ZINC000768584577 622465509 /nfs/dbraw/zinc/46/55/09/622465509.db2.gz MWRWQBXVYBNZRJ-UHFFFAOYSA-N 0 3 315.413 3.092 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000768938368 622486463 /nfs/dbraw/zinc/48/64/63/622486463.db2.gz YUHGXPIGOCRARZ-MRXNPFEDSA-N 0 3 308.853 3.496 20 10 DGCDHN CCOc1ccc(CN2CCc3ccc(OC)cc3C2)c(O)c1 ZINC000769119565 622500132 /nfs/dbraw/zinc/50/01/32/622500132.db2.gz CVUXWNVZABKEER-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN CCOc1ccc(C[N@H+](CC)CCc2nccs2)c([O-])c1 ZINC000769517650 622537218 /nfs/dbraw/zinc/53/72/18/622537218.db2.gz RFRPTKQPAGLLNI-UHFFFAOYSA-N 0 3 306.431 3.312 20 10 DGCDHN CCOc1ccc(C[N@@H+](CC)CCc2nccs2)c([O-])c1 ZINC000769517650 622537219 /nfs/dbraw/zinc/53/72/19/622537219.db2.gz RFRPTKQPAGLLNI-UHFFFAOYSA-N 0 3 306.431 3.312 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CCc2ncc(C)s2)c([O-])c1 ZINC000769525341 622537982 /nfs/dbraw/zinc/53/79/82/622537982.db2.gz UGLNKEGFLSWRSI-UHFFFAOYSA-N 0 3 306.431 3.230 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CCc2ncc(C)s2)c([O-])c1 ZINC000769525341 622537984 /nfs/dbraw/zinc/53/79/84/622537984.db2.gz UGLNKEGFLSWRSI-UHFFFAOYSA-N 0 3 306.431 3.230 20 10 DGCDHN CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000770353768 622624084 /nfs/dbraw/zinc/62/40/84/622624084.db2.gz ULPQTLAUAJYDLQ-JKSUJKDBSA-N 0 3 307.434 3.426 20 10 DGCDHN CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000770353768 622624087 /nfs/dbraw/zinc/62/40/87/622624087.db2.gz ULPQTLAUAJYDLQ-JKSUJKDBSA-N 0 3 307.434 3.426 20 10 DGCDHN CCCOc1ccc(CNCc2ccc(OC)nc2)cc1C ZINC000873011209 623016786 /nfs/dbraw/zinc/01/67/86/623016786.db2.gz STQXSVVADKWTQJ-UHFFFAOYSA-N 0 3 300.402 3.477 20 10 DGCDHN CCN(C)c1ccc(CN[C@H](CCO)c2cccs2)cc1 ZINC000773842241 623078618 /nfs/dbraw/zinc/07/86/18/623078618.db2.gz ZBAPMAYNCONOOU-MRXNPFEDSA-N 0 3 304.459 3.418 20 10 DGCDHN CCOCC[N@H+](CC)Cc1cc(Br)cc(C)c1[O-] ZINC000124574826 623182440 /nfs/dbraw/zinc/18/24/40/623182440.db2.gz ZQOSYNFUHBGVFE-UHFFFAOYSA-N 0 3 316.239 3.322 20 10 DGCDHN CCOCC[N@@H+](CC)Cc1cc(Br)cc(C)c1[O-] ZINC000124574826 623182443 /nfs/dbraw/zinc/18/24/43/623182443.db2.gz ZQOSYNFUHBGVFE-UHFFFAOYSA-N 0 3 316.239 3.322 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000775522679 623283927 /nfs/dbraw/zinc/28/39/27/623283927.db2.gz XNLIHDSFQGZFPA-IRXDYDNUSA-N 0 3 316.445 3.367 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC)C1)c1ccccc1[O-] ZINC000775579979 623292746 /nfs/dbraw/zinc/29/27/46/623292746.db2.gz RQHHXCHVSCQGFJ-DZKIICNBSA-N 0 3 320.433 3.300 20 10 DGCDHN CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000775665018 623308576 /nfs/dbraw/zinc/30/85/76/623308576.db2.gz WQIVSJQTNNQVOQ-UHFFFAOYSA-N 0 3 311.809 3.272 20 10 DGCDHN CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000775665018 623308578 /nfs/dbraw/zinc/30/85/78/623308578.db2.gz WQIVSJQTNNQVOQ-UHFFFAOYSA-N 0 3 311.809 3.272 20 10 DGCDHN CCCCCCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775836197 623339655 /nfs/dbraw/zinc/33/96/55/623339655.db2.gz KPFGTSIUNKXXSM-OAHLLOKOSA-N 0 3 305.466 3.100 20 10 DGCDHN CCCCCCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775836194 623339754 /nfs/dbraw/zinc/33/97/54/623339754.db2.gz KPFGTSIUNKXXSM-HNNXBMFYSA-N 0 3 305.466 3.100 20 10 DGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C12CCCC2 ZINC000776224263 623399109 /nfs/dbraw/zinc/39/91/09/623399109.db2.gz RQRHYIKPLUYCCL-IAGOWNOFSA-N 0 3 305.418 3.228 20 10 DGCDHN CCOc1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)c([O-])c1 ZINC000776257348 623402342 /nfs/dbraw/zinc/40/23/42/623402342.db2.gz LUPZKZMARDHAOL-CQSZACIVSA-N 0 3 307.434 3.069 20 10 DGCDHN CC[C@H](NC[C@@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000777012296 623485484 /nfs/dbraw/zinc/48/54/84/623485484.db2.gz PCYBNDGKFMKGFQ-UONOGXRCSA-N 0 3 304.356 3.371 20 10 DGCDHN CN(C)c1ccc(CNCc2ccnn2-c2ccccc2)cc1 ZINC000790466856 625656544 /nfs/dbraw/zinc/65/65/44/625656544.db2.gz UDCLBFFCYPGLBZ-UHFFFAOYSA-N 0 3 306.413 3.228 20 10 DGCDHN CCOc1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000778212931 623625679 /nfs/dbraw/zinc/62/56/79/623625679.db2.gz HATRDQCUIHDHAX-LJQANCHMSA-N 0 3 315.413 3.178 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000876755174 623697773 /nfs/dbraw/zinc/69/77/73/623697773.db2.gz SIIFJKCCUUNEAO-UHFFFAOYSA-N 0 3 308.422 3.047 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000876755174 623697774 /nfs/dbraw/zinc/69/77/74/623697774.db2.gz SIIFJKCCUUNEAO-UHFFFAOYSA-N 0 3 308.422 3.047 20 10 DGCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])C(=O)Nc1ccccc1 ZINC000779078038 623727302 /nfs/dbraw/zinc/72/73/02/623727302.db2.gz NEPFDHHJBRHFTH-UHFFFAOYSA-N 0 3 302.349 3.038 20 10 DGCDHN C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1cc(F)ccc1O ZINC000779081825 623728168 /nfs/dbraw/zinc/72/81/68/623728168.db2.gz DFIXNBBKECMBMD-LBPRGKRZSA-N 0 3 314.360 3.353 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c([O-])c1 ZINC000876939761 623750427 /nfs/dbraw/zinc/75/04/27/623750427.db2.gz KOPRUPGTIZOQKS-CYBMUJFWSA-N 0 3 310.397 3.436 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c([O-])c1 ZINC000876948021 623752358 /nfs/dbraw/zinc/75/23/58/623752358.db2.gz CWWCLGKPNZOJEV-KRWDZBQOSA-N 0 3 302.393 3.232 20 10 DGCDHN Cc1ccc(C[NH2+]CCc2csc(N3CCCC3)n2)c([O-])c1 ZINC000877056441 623777920 /nfs/dbraw/zinc/77/79/20/623777920.db2.gz LPPMMWDQPTVICP-UHFFFAOYSA-N 0 3 317.458 3.090 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c([O-])c1 ZINC000877117313 623795257 /nfs/dbraw/zinc/79/52/57/623795257.db2.gz SYGAVDSXCIOHPA-HNNXBMFYSA-N 0 3 307.459 3.235 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000877503726 623914922 /nfs/dbraw/zinc/91/49/22/623914922.db2.gz UXULJZTWWRQWMJ-HXUWFJFHSA-N 0 3 311.425 3.227 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000877503726 623914928 /nfs/dbraw/zinc/91/49/28/623914928.db2.gz UXULJZTWWRQWMJ-HXUWFJFHSA-N 0 3 311.425 3.227 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000877503725 623915317 /nfs/dbraw/zinc/91/53/17/623915317.db2.gz UXULJZTWWRQWMJ-FQEVSTJZSA-N 0 3 311.425 3.227 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000877503725 623915319 /nfs/dbraw/zinc/91/53/19/623915319.db2.gz UXULJZTWWRQWMJ-FQEVSTJZSA-N 0 3 311.425 3.227 20 10 DGCDHN Cc1ccc(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c(O)c1 ZINC000877582946 623951605 /nfs/dbraw/zinc/95/16/05/623951605.db2.gz ISONSACNCLYXGQ-GOEBONIOSA-N 0 3 319.426 3.125 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c([O-])c1 ZINC000877600315 623957764 /nfs/dbraw/zinc/95/77/64/623957764.db2.gz MGKITUMNZSNUKT-SFHVURJKSA-N 0 3 301.430 3.482 20 10 DGCDHN Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c([O-])c1 ZINC000877600315 623957771 /nfs/dbraw/zinc/95/77/71/623957771.db2.gz MGKITUMNZSNUKT-SFHVURJKSA-N 0 3 301.430 3.482 20 10 DGCDHN COc1cccc([C@H](C[NH2+]Cc2ccc(C)cc2[O-])OC)c1 ZINC000877647927 623977888 /nfs/dbraw/zinc/97/78/88/623977888.db2.gz JOKYUIOSSDNSEK-SFHVURJKSA-N 0 3 301.386 3.187 20 10 DGCDHN COc1cc(O)c(CN[C@H](C)c2cnc(C)s2)cc1OC ZINC000877684844 623991579 /nfs/dbraw/zinc/99/15/79/623991579.db2.gz AKRVMVRNCBGBNW-SECBINFHSA-N 0 3 308.403 3.025 20 10 DGCDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000790737615 625691252 /nfs/dbraw/zinc/69/12/52/625691252.db2.gz NTIHRCKCZCIVIQ-GXTWGEPZSA-N 0 3 321.367 3.172 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877731447 624007688 /nfs/dbraw/zinc/00/76/88/624007688.db2.gz XIJIIVUQLLQYHP-OTVXOJSOSA-N 0 3 320.433 3.094 20 10 DGCDHN CCOC(=O)N1CCC(C)(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000877756038 624021998 /nfs/dbraw/zinc/02/19/98/624021998.db2.gz ZXHFJMDDMCTEKP-CQSZACIVSA-N 0 3 320.433 3.301 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1[O-] ZINC000877755543 624022261 /nfs/dbraw/zinc/02/22/61/624022261.db2.gz DPIPZUCPRRTANS-PBHICJAKSA-N 0 3 313.397 3.411 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC2(CCOCC2)O1 ZINC000878150867 624190543 /nfs/dbraw/zinc/19/05/43/624190543.db2.gz JVGREQSORZXKRD-KRWDZBQOSA-N 0 3 319.445 3.332 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC2(CCOCC2)O1 ZINC000878150867 624190544 /nfs/dbraw/zinc/19/05/44/624190544.db2.gz JVGREQSORZXKRD-KRWDZBQOSA-N 0 3 319.445 3.332 20 10 DGCDHN CC(C)[C@H](O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000878241345 624225020 /nfs/dbraw/zinc/22/50/20/624225020.db2.gz SJOCPLQGBPZQIT-QGZVFWFLSA-N 0 3 303.402 3.394 20 10 DGCDHN COCCOc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000783503460 624359274 /nfs/dbraw/zinc/35/92/74/624359274.db2.gz DRTFGQIOHUSEOP-CQSZACIVSA-N 0 3 301.386 3.268 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccccc1[O-] ZINC000783498864 624359297 /nfs/dbraw/zinc/35/92/97/624359297.db2.gz JKZZBTYWEIWJLV-OAHLLOKOSA-N 0 3 307.397 3.488 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879647892 624621015 /nfs/dbraw/zinc/62/10/15/624621015.db2.gz PITCEMCBUKOSQC-KNCOVGOOSA-N 0 3 304.434 3.126 20 10 DGCDHN CC[C@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647703 624621192 /nfs/dbraw/zinc/62/11/92/624621192.db2.gz ITBYCNKAXDQJPK-ILXRZTDVSA-N 0 3 304.434 3.222 20 10 DGCDHN COC(=O)c1oc([C@@H](C)N[C@H](C)c2ccccc2O)cc1C ZINC000879649153 624622831 /nfs/dbraw/zinc/62/28/31/624622831.db2.gz JRJRIKJVAKZZKV-VXGBXAGGSA-N 0 3 303.358 3.492 20 10 DGCDHN Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000879648789 624622955 /nfs/dbraw/zinc/62/29/55/624622955.db2.gz DUUWXICOPVIGRU-CVEARBPZSA-N 0 3 315.413 3.100 20 10 DGCDHN Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649224 624623066 /nfs/dbraw/zinc/62/30/66/624623066.db2.gz OHZWCBWDCADBMU-HUUCEWRRSA-N 0 3 312.413 3.056 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CN(C2CCCCC2)C(=O)O1)c1ccccc1[O-] ZINC000879650309 624623179 /nfs/dbraw/zinc/62/31/79/624623179.db2.gz SVNGJWLTQYWAIL-DZGCQCFKSA-N 0 3 318.417 3.196 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1[O-] ZINC000785990237 624775238 /nfs/dbraw/zinc/77/52/38/624775238.db2.gz ZXSUXVHEJCUVAE-COPLHBTASA-N 0 3 313.825 3.036 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1[O-] ZINC000785990237 624775241 /nfs/dbraw/zinc/77/52/41/624775241.db2.gz ZXSUXVHEJCUVAE-COPLHBTASA-N 0 3 313.825 3.036 20 10 DGCDHN Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000786579381 624925110 /nfs/dbraw/zinc/92/51/10/624925110.db2.gz RDUDQAHBUKDYNU-QGZVFWFLSA-N 0 3 319.832 3.356 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787330869 625001278 /nfs/dbraw/zinc/00/12/78/625001278.db2.gz FKUYJLNTRRHOFW-HNNXBMFYSA-N 0 3 313.731 3.147 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@H](C(=O)OC)[C@@H]2C)cc1F ZINC000787420451 625008662 /nfs/dbraw/zinc/00/86/62/625008662.db2.gz HGQURIYVOLZGKA-DZGCQCFKSA-N 0 3 322.424 3.055 20 10 DGCDHN CN1CCCc2cc(CNCc3ccc4oc(=O)oc4c3)ccc21 ZINC000882943128 625868843 /nfs/dbraw/zinc/86/88/43/625868843.db2.gz GBMZEQMKHDNVKA-UHFFFAOYSA-N 0 3 324.380 3.058 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]2C)c1[O-] ZINC000796525192 626058704 /nfs/dbraw/zinc/05/87/04/626058704.db2.gz BRZJMUSOTDHQEM-LDYMZIIASA-N 0 3 300.196 3.051 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000796678102 626072922 /nfs/dbraw/zinc/07/29/22/626072922.db2.gz YFOSYUVRGWQTLZ-GFCCVEGCSA-N 0 3 311.385 3.450 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1[O-] ZINC000798963652 626263844 /nfs/dbraw/zinc/26/38/44/626263844.db2.gz IIXDGEZXWCZTNT-GFCCVEGCSA-N 0 3 318.804 3.439 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1[O-] ZINC000798963652 626263845 /nfs/dbraw/zinc/26/38/45/626263845.db2.gz IIXDGEZXWCZTNT-GFCCVEGCSA-N 0 3 318.804 3.439 20 10 DGCDHN CCCCN(CC(=O)N1CCC(C)CC1)Cc1ccccc1O ZINC000801596066 626411307 /nfs/dbraw/zinc/41/13/07/626411307.db2.gz NQHPEAXUKCEQIE-UHFFFAOYSA-N 0 3 318.461 3.253 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(C)(C)C ZINC000801599238 626411753 /nfs/dbraw/zinc/41/17/53/626411753.db2.gz GPQQOWIUVPNLKG-CQSZACIVSA-N 0 3 306.450 3.298 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(C)(C)C ZINC000801599238 626411755 /nfs/dbraw/zinc/41/17/55/626411755.db2.gz GPQQOWIUVPNLKG-CQSZACIVSA-N 0 3 306.450 3.298 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(C)C)C1=O ZINC000801599502 626411943 /nfs/dbraw/zinc/41/19/43/626411943.db2.gz QNGLFWQLDNOWJP-QGZVFWFLSA-N 0 3 318.461 3.394 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(C)C)C1=O ZINC000801599502 626411944 /nfs/dbraw/zinc/41/19/44/626411944.db2.gz QNGLFWQLDNOWJP-QGZVFWFLSA-N 0 3 318.461 3.394 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(C)cc1[O-] ZINC000883275968 626633182 /nfs/dbraw/zinc/63/31/82/626633182.db2.gz DFTRZMVMVAGEEB-DOTOQJQBSA-N 0 3 303.402 3.186 20 10 DGCDHN c1cn(C[C@H](NCc2ccc3c(c2)CCO3)c2ccccc2)cn1 ZINC000883398257 626673015 /nfs/dbraw/zinc/67/30/15/626673015.db2.gz HZNWTFICDXOJCU-IBGZPJMESA-N 0 3 319.408 3.349 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000806167704 626703620 /nfs/dbraw/zinc/70/36/20/626703620.db2.gz GFLUYATTWWXVJS-DUVNUKRYSA-N 0 3 315.388 3.273 20 10 DGCDHN COc1ccc(CNCc2ccc(N(C)C)cc2)c(C)c1OC ZINC000808376003 626818630 /nfs/dbraw/zinc/81/86/30/626818630.db2.gz OBRMBDZCZWMAIE-UHFFFAOYSA-N 0 3 314.429 3.368 20 10 DGCDHN COc1ccc(CNCc2ccc3c(c2)CCO3)c(C)c1OC ZINC000808384998 626819306 /nfs/dbraw/zinc/81/93/06/626819306.db2.gz HPAJHBGOVWVEEJ-UHFFFAOYSA-N 0 3 313.397 3.237 20 10 DGCDHN CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808682497 626849361 /nfs/dbraw/zinc/84/93/61/626849361.db2.gz RVYZWQWAJPTMNH-VXGBXAGGSA-N 0 3 312.841 3.309 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCCCC2=O)c1[O-] ZINC000808692996 626850056 /nfs/dbraw/zinc/85/00/56/626850056.db2.gz BWXJBPFOGYMUKJ-CYBMUJFWSA-N 0 3 324.852 3.407 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1[O-] ZINC000808695050 626850351 /nfs/dbraw/zinc/85/03/51/626850351.db2.gz DTJVQXRVVWZUDU-OCCSQVGLSA-N 0 3 313.825 3.200 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)c1[O-] ZINC000808702513 626850951 /nfs/dbraw/zinc/85/09/51/626850951.db2.gz YAOCAYZNDPDZHY-DYEKYZERSA-N 0 3 313.825 3.199 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c1[O-] ZINC000808703783 626851088 /nfs/dbraw/zinc/85/10/88/626851088.db2.gz WFVHLNLOEZTETC-QWHCGFSZSA-N 0 3 323.820 3.449 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)c1[O-] ZINC000808702514 626851108 /nfs/dbraw/zinc/85/11/08/626851108.db2.gz YAOCAYZNDPDZHY-MBNYWOFBSA-N 0 3 313.825 3.199 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1[O-] ZINC000808707576 626851501 /nfs/dbraw/zinc/85/15/01/626851501.db2.gz SMDFLTISALHWKH-RISCZKNCSA-N 0 3 310.825 3.014 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)c1[O-] ZINC000808706240 626851639 /nfs/dbraw/zinc/85/16/39/626851639.db2.gz FMSKZDBOPSZMAD-GFCCVEGCSA-N 0 3 324.852 3.311 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1[O-] ZINC000808707574 626852013 /nfs/dbraw/zinc/85/20/13/626852013.db2.gz SMDFLTISALHWKH-BXUZGUMPSA-N 0 3 310.825 3.014 20 10 DGCDHN C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1[O-] ZINC000808728060 626854568 /nfs/dbraw/zinc/85/45/68/626854568.db2.gz MMBXTNQVGZSORP-HZMBPMFUSA-N 0 3 305.324 3.325 20 10 DGCDHN CC(C)(C)[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000808735836 626856277 /nfs/dbraw/zinc/85/62/77/626856277.db2.gz CDXKOIYNOOCWPW-QGZVFWFLSA-N 0 3 303.402 3.394 20 10 DGCDHN CC(C)(C)[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000808735836 626856278 /nfs/dbraw/zinc/85/62/78/626856278.db2.gz CDXKOIYNOOCWPW-QGZVFWFLSA-N 0 3 303.402 3.394 20 10 DGCDHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767723 626949902 /nfs/dbraw/zinc/94/99/02/626949902.db2.gz SBDLNVKUHMTCTE-IAQYHMDHSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767723 626949904 /nfs/dbraw/zinc/94/99/04/626949904.db2.gz SBDLNVKUHMTCTE-IAQYHMDHSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767724 626950322 /nfs/dbraw/zinc/95/03/22/626950322.db2.gz SBDLNVKUHMTCTE-NHYWBVRUSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767724 626950324 /nfs/dbraw/zinc/95/03/24/626950324.db2.gz SBDLNVKUHMTCTE-NHYWBVRUSA-N 0 3 312.816 3.101 20 10 DGCDHN CCCC[C@@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000810124948 626978084 /nfs/dbraw/zinc/97/80/84/626978084.db2.gz LHCXKPSVHIBLBY-MRXNPFEDSA-N 0 3 319.493 3.222 20 10 DGCDHN CCOc1ccc(C[NH2+]CC2(COC)CCCCC2)c([O-])c1 ZINC000810178647 626985128 /nfs/dbraw/zinc/98/51/28/626985128.db2.gz WXEGCNKFXYQDOM-UHFFFAOYSA-N 0 3 307.434 3.477 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1C[C@]12CCOC2 ZINC000886064741 627097573 /nfs/dbraw/zinc/09/75/73/627097573.db2.gz HPNJGSGKZZPCKE-APWZRJJASA-N 0 3 313.397 3.414 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C[C@H]1C[C@]12CCOC2 ZINC000886064741 627097574 /nfs/dbraw/zinc/09/75/74/627097574.db2.gz HPNJGSGKZZPCKE-APWZRJJASA-N 0 3 313.397 3.414 20 10 DGCDHN CC(C)[C@H](NCc1ccc2c(c1)CCCN2C)c1cnn(C)c1 ZINC000886519460 627156283 /nfs/dbraw/zinc/15/62/83/627156283.db2.gz VPNDECWXDGAINC-IBGZPJMESA-N 0 3 312.461 3.289 20 10 DGCDHN COc1cccc(OC)c1CN[C@H](C)c1c(O)cccc1F ZINC000886636150 627177955 /nfs/dbraw/zinc/17/79/55/627177955.db2.gz GSPQTJHVBQPGPP-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000811510347 627285046 /nfs/dbraw/zinc/28/50/46/627285046.db2.gz CWLZGXJRXRSPDZ-IRXDYDNUSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000811510347 627285050 /nfs/dbraw/zinc/28/50/50/627285050.db2.gz CWLZGXJRXRSPDZ-IRXDYDNUSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000811521051 627287303 /nfs/dbraw/zinc/28/73/03/627287303.db2.gz XVUCZSFUEDXTAP-CQSZACIVSA-N 0 3 321.808 3.088 20 10 DGCDHN C[C@@H](NC1COCCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000813878712 627518174 /nfs/dbraw/zinc/51/81/74/627518174.db2.gz FPJIIGZPBNYKKI-MRXNPFEDSA-N 0 3 318.461 3.133 20 10 DGCDHN CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560718 627685152 /nfs/dbraw/zinc/68/51/52/627685152.db2.gz NYFNUEYFTAZFIK-VXGBXAGGSA-N 0 3 316.367 3.403 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)c([O-])c1 ZINC000815571528 627686289 /nfs/dbraw/zinc/68/62/89/627686289.db2.gz GGYGGMULZPYWHX-CYBMUJFWSA-N 0 3 312.404 3.389 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000815580109 627686999 /nfs/dbraw/zinc/68/69/99/627686999.db2.gz CFOYSUDHZFXVRD-JYJNAYRXSA-N 0 3 318.461 3.307 20 10 DGCDHN CC(C)CN1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816533567 627803452 /nfs/dbraw/zinc/80/34/52/627803452.db2.gz BDPAXJBKZSWFFC-UHFFFAOYSA-N 0 3 314.832 3.395 20 10 DGCDHN CC(C)N1CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816610373 627814725 /nfs/dbraw/zinc/81/47/25/627814725.db2.gz IMOVWLNFWMDZOU-LLVKDONJSA-N 0 3 300.805 3.005 20 10 DGCDHN CCOc1ccc(O)c(CN2CCN(C)Cc3ccccc32)c1 ZINC000816617839 627815783 /nfs/dbraw/zinc/81/57/83/627815783.db2.gz JWMCJRBYLSWOSJ-UHFFFAOYSA-N 0 3 312.413 3.243 20 10 DGCDHN COC[C@H]1CCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000816636611 627817558 /nfs/dbraw/zinc/81/75/58/627817558.db2.gz CBQHKSVKPQGYNN-HXUWFJFHSA-N 0 3 322.452 3.470 20 10 DGCDHN CON1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000817419111 627898390 /nfs/dbraw/zinc/89/83/90/627898390.db2.gz PGGGAEHOVFGOIX-UHFFFAOYSA-N 0 3 312.413 3.175 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)c2c1c(F)ccc2[O-] ZINC000817958411 627974948 /nfs/dbraw/zinc/97/49/48/627974948.db2.gz VJMMGFQZLXUIHF-XHDPSFHLSA-N 0 3 300.377 3.494 20 10 DGCDHN CC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817964603 627976893 /nfs/dbraw/zinc/97/68/93/627976893.db2.gz FOVBLDOXZXQNCL-GFCCVEGCSA-N 0 3 302.340 3.333 20 10 DGCDHN CCCC[C@H](CN)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000817961682 627976940 /nfs/dbraw/zinc/97/69/40/627976940.db2.gz CGVNXSPYRLWYEF-ZYHUDNBSSA-N 0 3 315.255 3.323 20 10 DGCDHN C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968764 627978537 /nfs/dbraw/zinc/97/85/37/627978537.db2.gz MBVRPDBONKOVEK-HOTUBEGUSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972045 627980368 /nfs/dbraw/zinc/98/03/68/627980368.db2.gz SREHQZPIAIMDDI-BBBLOLIVSA-N 0 3 303.233 3.490 20 10 DGCDHN C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1[O-] ZINC000817980289 627982310 /nfs/dbraw/zinc/98/23/10/627982310.db2.gz KMAQIPITWWNOHJ-NHYWBVRUSA-N 0 3 306.356 3.193 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c([O-])c1 ZINC000927015652 627997965 /nfs/dbraw/zinc/99/79/65/627997965.db2.gz RMXOSOZWFBUWDW-GJZGRUSLSA-N 0 3 305.418 3.079 20 10 DGCDHN C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c2c1c(F)ccc2[O-] ZINC000927059559 628004894 /nfs/dbraw/zinc/00/48/94/628004894.db2.gz DIBFOXNHKSHOQJ-YLHIVMMESA-N 0 3 321.392 3.352 20 10 DGCDHN C[C@H](N[C@@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl ZINC000818356003 628017591 /nfs/dbraw/zinc/01/75/91/628017591.db2.gz HRFABOQRSHFYGV-BLLLJJGKSA-N 0 3 306.837 3.380 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1[O-] ZINC000824500937 628665462 /nfs/dbraw/zinc/66/54/62/628665462.db2.gz BMMZXSUDEWYGOR-INIZCTEOSA-N 0 3 323.795 3.186 20 10 DGCDHN COC[C@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000824593631 628675137 /nfs/dbraw/zinc/67/51/37/628675137.db2.gz RHXWJWWEIJDPAY-HNNXBMFYSA-N 0 3 315.413 3.438 20 10 DGCDHN COC[C@H](C)Oc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000824593631 628675139 /nfs/dbraw/zinc/67/51/39/628675139.db2.gz RHXWJWWEIJDPAY-HNNXBMFYSA-N 0 3 315.413 3.438 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824696313 628684872 /nfs/dbraw/zinc/68/48/72/628684872.db2.gz KXJURFRMTFENJT-ZACQAIPSSA-N 0 3 319.445 3.306 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824696313 628684874 /nfs/dbraw/zinc/68/48/74/628684874.db2.gz KXJURFRMTFENJT-ZACQAIPSSA-N 0 3 319.445 3.306 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(OC)c1ccccc1 ZINC000824780648 628692876 /nfs/dbraw/zinc/69/28/76/628692876.db2.gz YFMSPNIZVNYFRL-GOSISDBHSA-N 0 3 301.386 3.052 20 10 DGCDHN Oc1cc2c(cc1CN1CC(c3ccc(Cl)cc3)C1)OCO2 ZINC000824987783 628713383 /nfs/dbraw/zinc/71/33/83/628713383.db2.gz ADXWAXCZBLPLAT-UHFFFAOYSA-N 0 3 317.772 3.374 20 10 DGCDHN COc1cc(CN(C)Cc2cnc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000826768821 628884326 /nfs/dbraw/zinc/88/43/26/628884326.db2.gz FTRQFAZCMKIZLZ-UHFFFAOYSA-N 0 3 303.406 3.053 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCc2cnccc2C)c1[O-] ZINC000826926479 628904641 /nfs/dbraw/zinc/90/46/41/628904641.db2.gz DFECMVZCPVLIDY-UHFFFAOYSA-N 0 3 306.793 3.090 20 10 DGCDHN COC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(OC)c1 ZINC000827011019 628912746 /nfs/dbraw/zinc/91/27/46/628912746.db2.gz DRRQPKFEMLDGMB-MRXNPFEDSA-N 0 3 305.349 3.017 20 10 DGCDHN COC[C@@H](NCc1cc(F)ccc1O)c1cccc(OC)c1 ZINC000827011019 628912747 /nfs/dbraw/zinc/91/27/47/628912747.db2.gz DRRQPKFEMLDGMB-MRXNPFEDSA-N 0 3 305.349 3.017 20 10 DGCDHN CC(C)[C@H](O)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000827525901 628968002 /nfs/dbraw/zinc/96/80/02/628968002.db2.gz CQMLVQOSPJVYHX-ROUUACIJSA-N 0 3 303.377 3.379 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1[O-] ZINC000827686777 628982995 /nfs/dbraw/zinc/98/29/95/628982995.db2.gz GFLFGQCRZVYKGZ-ZDUSSCGKSA-N 0 3 324.852 3.091 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1[O-] ZINC000827686777 628982996 /nfs/dbraw/zinc/98/29/96/628982996.db2.gz GFLFGQCRZVYKGZ-ZDUSSCGKSA-N 0 3 324.852 3.091 20 10 DGCDHN Cc1cc(CN(C)[C@@H](C)C[S@@](C)=O)ccc1N1CCCCC1 ZINC000828785147 629092166 /nfs/dbraw/zinc/09/21/66/629092166.db2.gz CLMKNTQHTFUVHB-KSFYIVLOSA-N 0 3 322.518 3.184 20 10 DGCDHN CCOC(=O)N[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CC(C)C ZINC000834501997 629718462 /nfs/dbraw/zinc/71/84/62/629718462.db2.gz LRVDSDWYFJKDIA-GJZGRUSLSA-N 0 3 320.433 3.130 20 10 DGCDHN COc1ccc(OCCC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834530304 629720838 /nfs/dbraw/zinc/72/08/38/629720838.db2.gz FBOQVZKTEATPKE-QGZVFWFLSA-N 0 3 313.397 3.447 20 10 DGCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCc2ccccc2C1 ZINC000834538698 629723822 /nfs/dbraw/zinc/72/38/22/629723822.db2.gz WBKXQNZRNULWBF-DNVCBOLYSA-N 0 3 322.452 3.416 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)CC2 ZINC000834668807 629752589 /nfs/dbraw/zinc/75/25/89/629752589.db2.gz OBXMJKXZIBPUNL-ZBFHGGJFSA-N 0 3 303.789 3.356 20 10 DGCDHN Cn1c2ccccc2cc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1=O ZINC000834806546 629782799 /nfs/dbraw/zinc/78/27/99/629782799.db2.gz DXRGVDICXFOXRW-INIZCTEOSA-N 0 3 320.392 3.021 20 10 DGCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834845001 629788907 /nfs/dbraw/zinc/78/89/07/629788907.db2.gz XLBRABQVVSWGOR-RYUDHWBXSA-N 0 3 303.324 3.327 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)ccc1[O-] ZINC000834890094 629798650 /nfs/dbraw/zinc/79/86/50/629798650.db2.gz CWXFBLWNFOGIMB-PNPHSEOMSA-N 0 3 316.376 3.497 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1[O-] ZINC000834896760 629800738 /nfs/dbraw/zinc/80/07/38/629800738.db2.gz NOCJJTXWPZIOJB-NEPJUHHUSA-N 0 3 307.825 3.369 20 10 DGCDHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 ZINC000835040379 629832450 /nfs/dbraw/zinc/83/24/50/629832450.db2.gz OWCRUTFBDFXWAJ-PTZVLDCSSA-N 0 3 323.440 3.383 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@@H](CO)c2ccsc2)cc1 ZINC000835045862 629834656 /nfs/dbraw/zinc/83/46/56/629834656.db2.gz DXTJIUVDJCYQKE-IDOMTICXSA-N 0 3 302.443 3.151 20 10 DGCDHN COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000840808810 630360612 /nfs/dbraw/zinc/36/06/12/630360612.db2.gz MRILIEHZFBJMII-GDBMZVCRSA-N 0 3 315.413 3.136 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccccc1[O-] ZINC000840881058 630371554 /nfs/dbraw/zinc/37/15/54/630371554.db2.gz NLUJEESTJQLWQZ-PBHICJAKSA-N 0 3 303.377 3.348 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000840892592 630373720 /nfs/dbraw/zinc/37/37/20/630373720.db2.gz BKOGXSSGPWBYGV-HDMKZQKVSA-N 0 3 312.461 3.484 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000840899140 630374318 /nfs/dbraw/zinc/37/43/18/630374318.db2.gz ZHXCXVGOKGNZED-NVXWUHKLSA-N 0 3 312.388 3.387 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CCC(c3ccncn3)CC2)cc1 ZINC000840953194 630383329 /nfs/dbraw/zinc/38/33/29/630383329.db2.gz IMXRMRRITDQPTC-ARJAWSKDSA-N 0 3 322.456 3.435 20 10 DGCDHN CC[C@](C[NH2+]Cc1ccccc1[O-])(C(=O)OC)c1ccccc1 ZINC000840977199 630390021 /nfs/dbraw/zinc/39/00/21/630390021.db2.gz GGUJHBZHUJIYKZ-LJQANCHMSA-N 0 3 313.397 3.003 20 10 DGCDHN CCCC[C@@H](CN)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841030760 630398459 /nfs/dbraw/zinc/39/84/59/630398459.db2.gz QKROSDLOAJVPMZ-LBPRGKRZSA-N 0 3 315.255 3.070 20 10 DGCDHN CC[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(C)cc1[O-] ZINC000841761533 630463414 /nfs/dbraw/zinc/46/34/14/630463414.db2.gz GGHAYOTWDZXQMR-MRXNPFEDSA-N 0 3 321.461 3.309 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CC(C)C)OC)c1[O-] ZINC000841887959 630472926 /nfs/dbraw/zinc/47/29/26/630472926.db2.gz AYVYQAVHGRORIU-ZDUSSCGKSA-N 0 3 301.814 3.205 20 10 DGCDHN CCN(CC)c1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842720267 630567894 /nfs/dbraw/zinc/56/78/94/630567894.db2.gz DWOATKJVLPAHOY-KRWDZBQOSA-N 0 3 317.477 3.022 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1[O-] ZINC000842887586 630589653 /nfs/dbraw/zinc/58/96/53/630589653.db2.gz ZNZPSZVUQUXOHE-SMDDNHRTSA-N 0 3 324.852 3.404 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@H](CCO)c2ccccc2F)c1 ZINC000842922805 630593665 /nfs/dbraw/zinc/59/36/65/630593665.db2.gz DTEDZQMNRIIDEX-YVEFUNNKSA-N 0 3 319.376 3.314 20 10 DGCDHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000842929688 630594949 /nfs/dbraw/zinc/59/49/49/630594949.db2.gz RATPUXZZPKSVER-RDBSUJKOSA-N 0 3 324.852 3.005 20 10 DGCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000843414535 630653748 /nfs/dbraw/zinc/65/37/48/630653748.db2.gz HXFCHFJBMMHOAT-DZGCQCFKSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000843414535 630653750 /nfs/dbraw/zinc/65/37/50/630653750.db2.gz HXFCHFJBMMHOAT-DZGCQCFKSA-N 0 3 305.418 3.192 20 10 DGCDHN CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000843428733 630657407 /nfs/dbraw/zinc/65/74/07/630657407.db2.gz MXJASGFWRMNDFT-UHFFFAOYSA-N 0 3 323.408 3.475 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCS[C@@H]2C)c1[O-] ZINC000843435196 630659075 /nfs/dbraw/zinc/65/90/75/630659075.db2.gz RBFWGAAXZDVSPV-BXKDBHETSA-N 0 3 316.264 3.447 20 10 DGCDHN CC(=O)c1cc(F)cc(CN2CCC[C@]3(CC3(F)F)C2)c1O ZINC000844441334 630730193 /nfs/dbraw/zinc/73/01/93/630730193.db2.gz XHISYANSUHWNQF-HNNXBMFYSA-N 0 3 313.319 3.355 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000846039245 631207531 /nfs/dbraw/zinc/20/75/31/631207531.db2.gz PZRPHYZVIJPBKZ-KUHUBIRLSA-N 0 3 315.413 3.177 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccccc1[O-] ZINC000846123675 631211007 /nfs/dbraw/zinc/21/10/07/631211007.db2.gz UDCFAJPLLQQNJE-HZPDHXFCSA-N 0 3 312.413 3.209 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2cccc(OC)c2O)c(OC)c1 ZINC000846142219 631211591 /nfs/dbraw/zinc/21/15/91/631211591.db2.gz XRUDYXHURDWPLY-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN COc1ccc(CN[C@H](C)c2cccc(OC)c2O)c(OC)c1 ZINC000846142120 631211694 /nfs/dbraw/zinc/21/16/94/631211694.db2.gz XRUDYXHURDWPLY-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)c([O-])c1 ZINC000846181512 631213810 /nfs/dbraw/zinc/21/38/10/631213810.db2.gz ZQSDDEJNTJIBNP-QRWLVFNGSA-N 0 3 311.425 3.228 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CC1CCCC1)[C@@H](O)CO2 ZINC000848505353 631671080 /nfs/dbraw/zinc/67/10/80/631671080.db2.gz IWISAMYOHHWDMJ-YJBOKZPZSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CC1CCCC1)[C@@H](O)CO2 ZINC000848505353 631671081 /nfs/dbraw/zinc/67/10/81/631671081.db2.gz IWISAMYOHHWDMJ-YJBOKZPZSA-N 0 3 317.429 3.363 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC23CC3)c1[O-] ZINC000848553932 631690803 /nfs/dbraw/zinc/69/08/03/631690803.db2.gz RNBQOBXQODYQCL-UFBFGSQYSA-N 0 3 312.207 3.366 20 10 DGCDHN CCOc1ccc(O)c(CNCc2cccc(C)c2OC)c1 ZINC000848565082 631694984 /nfs/dbraw/zinc/69/49/84/631694984.db2.gz SHPLTXOOTMKCGH-UHFFFAOYSA-N 0 3 301.386 3.398 20 10 DGCDHN CCc1cccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000848901462 631780129 /nfs/dbraw/zinc/78/01/29/631780129.db2.gz SQBWVVFDTQBQFI-VGOFRKELSA-N 0 3 317.454 3.164 20 10 DGCDHN CCc1cccc(CNC2(C(=O)Nc3ccccc3)CC2)c1O ZINC000848903799 631780749 /nfs/dbraw/zinc/78/07/49/631780749.db2.gz DQXMSVQZOUSUBC-UHFFFAOYSA-N 0 3 310.397 3.216 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000850382344 632133868 /nfs/dbraw/zinc/13/38/68/632133868.db2.gz SGIHSRZVCUKVDD-GFCCVEGCSA-N 0 3 314.223 3.442 20 10 DGCDHN C[C@@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850419486 632146585 /nfs/dbraw/zinc/14/65/85/632146585.db2.gz FTIIERRDEIXJNE-ACJLOTCBSA-N 0 3 302.393 3.103 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](COC)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000850494749 632170773 /nfs/dbraw/zinc/17/07/73/632170773.db2.gz XXXJSMFCZAMDEU-SJORKVTESA-N 0 3 307.434 3.183 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c([O-])c1 ZINC000850536772 632186296 /nfs/dbraw/zinc/18/62/96/632186296.db2.gz JSUZMWGKBJRRGH-WFASDCNBSA-N 0 3 301.361 3.494 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c([O-])c1 ZINC000850561032 632194600 /nfs/dbraw/zinc/19/46/00/632194600.db2.gz HMUCOPNKYJXVOA-HNAYVOBHSA-N 0 3 321.461 3.227 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)CC2 ZINC000850580066 632201191 /nfs/dbraw/zinc/20/11/91/632201191.db2.gz GJLUTNQETMGJNZ-UKRRQHHQSA-N 0 3 323.314 3.120 20 10 DGCDHN CC1(C)OC[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000851771618 632489072 /nfs/dbraw/zinc/48/90/72/632489072.db2.gz KJGXLNLSNBPEHX-INIZCTEOSA-N 0 3 305.418 3.288 20 10 DGCDHN CC1(C)OC[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000851771618 632489074 /nfs/dbraw/zinc/48/90/74/632489074.db2.gz KJGXLNLSNBPEHX-INIZCTEOSA-N 0 3 305.418 3.288 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](OC)[C@@H]1CCOC1 ZINC000852017970 632540354 /nfs/dbraw/zinc/54/03/54/632540354.db2.gz IGAGRPNJRWPKLW-AEFFLSMTSA-N 0 3 307.434 3.046 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](OC)[C@@H]1CCOC1 ZINC000852017970 632540360 /nfs/dbraw/zinc/54/03/60/632540360.db2.gz IGAGRPNJRWPKLW-AEFFLSMTSA-N 0 3 307.434 3.046 20 10 DGCDHN C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000184923944 660195444 /nfs/dbraw/zinc/19/54/44/660195444.db2.gz ZHRXXEQQQVAPLV-AWEZNQCLSA-N 0 3 314.404 3.240 20 10 DGCDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000706406940 660856820 /nfs/dbraw/zinc/85/68/20/660856820.db2.gz MAWLXPNVZJBCFV-STQMWFEESA-N 0 3 308.422 3.298 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CF)C2)c1[O-] ZINC000711501393 660955561 /nfs/dbraw/zinc/95/55/61/660955561.db2.gz DXMNGIIDMWRPKD-JTQLQIEISA-N 0 3 302.187 3.255 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](CF)C2)c1[O-] ZINC000711501393 660955563 /nfs/dbraw/zinc/95/55/63/660955563.db2.gz DXMNGIIDMWRPKD-JTQLQIEISA-N 0 3 302.187 3.255 20 10 DGCDHN COc1ccc(C[NH2+]C/C=C\c2ccc(F)cc2F)c([O-])c1 ZINC000793387187 661029135 /nfs/dbraw/zinc/02/91/35/661029135.db2.gz AMLAFUMRDQVAHC-IHWYPQMZSA-N 0 3 305.324 3.482 20 10 DGCDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)c([O-])c1 ZINC000793388588 661029358 /nfs/dbraw/zinc/02/93/58/661029358.db2.gz GGJZIEUMWUTGKV-UHFFFAOYSA-N 0 3 323.396 3.389 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cnc3n2CCCC3)c2c1c(F)ccc2[O-] ZINC000793566233 661046244 /nfs/dbraw/zinc/04/62/44/661046244.db2.gz SPQDRZPCXPHACJ-BXUZGUMPSA-N 0 3 315.392 3.402 20 10 DGCDHN [O-]c1c(Cl)cccc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000793607996 661049262 /nfs/dbraw/zinc/04/92/62/661049262.db2.gz GXOBRIPJMOFKHH-UHFFFAOYSA-N 0 3 301.777 3.254 20 10 DGCDHN CCN(CC)c1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1 ZINC000794793957 661105731 /nfs/dbraw/zinc/10/57/31/661105731.db2.gz CUMZSVCPGHEDTO-SFHVURJKSA-N 0 3 312.461 3.434 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794795401 661105787 /nfs/dbraw/zinc/10/57/87/661105787.db2.gz SYZUJUUJCJJKDM-QZTJIDSGSA-N 0 3 320.477 3.098 20 10 DGCDHN CCN(CC)c1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000794793954 661105834 /nfs/dbraw/zinc/10/58/34/661105834.db2.gz CUMZSVCPGHEDTO-GOSISDBHSA-N 0 3 312.461 3.434 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000794815724 661106971 /nfs/dbraw/zinc/10/69/71/661106971.db2.gz LDKMQLQDFWQSMV-RDJZCZTQSA-N 0 3 319.445 3.470 20 10 DGCDHN CC(C)NC(=O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000160975779 655702484 /nfs/dbraw/zinc/70/24/84/655702484.db2.gz WWJBWSYFNLULIB-INIZCTEOSA-N 0 3 317.477 3.242 20 10 DGCDHN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000795850649 661175891 /nfs/dbraw/zinc/17/58/91/661175891.db2.gz CBANYBKCKMZUKZ-BLLLJJGKSA-N 0 3 316.376 3.059 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccccc1[O-] ZINC000183435519 656112620 /nfs/dbraw/zinc/11/26/20/656112620.db2.gz MIABNFOESBAMJB-OAHLLOKOSA-N 0 3 307.397 3.488 20 10 DGCDHN Cc1cc(O)c(CN2CCN(C)C[C@H]2c2ccccc2)cc1C ZINC000251081321 657502807 /nfs/dbraw/zinc/50/28/07/657502807.db2.gz UMCKNEGCURXBMK-IBGZPJMESA-N 0 3 310.441 3.498 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000179564136 659933736 /nfs/dbraw/zinc/93/37/36/659933736.db2.gz IIIZEJDNCIWXCU-OAHLLOKOSA-N 0 3 320.433 3.271 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000179564136 659933738 /nfs/dbraw/zinc/93/37/38/659933738.db2.gz IIIZEJDNCIWXCU-OAHLLOKOSA-N 0 3 320.433 3.271 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)Cc2cc(F)ccc2[O-])cc1OC ZINC000179888660 659945638 /nfs/dbraw/zinc/94/56/38/659945638.db2.gz GZVWDSHUMBBJGI-UHFFFAOYSA-N 0 3 319.376 3.489 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)Cc2cc(F)ccc2[O-])cc1OC ZINC000179888660 659945642 /nfs/dbraw/zinc/94/56/42/659945642.db2.gz GZVWDSHUMBBJGI-UHFFFAOYSA-N 0 3 319.376 3.489 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000180153112 659953357 /nfs/dbraw/zinc/95/33/57/659953357.db2.gz MHLQTQGXNAQOIJ-SFHVURJKSA-N 0 3 315.388 3.403 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000180153112 659953361 /nfs/dbraw/zinc/95/33/61/659953361.db2.gz MHLQTQGXNAQOIJ-SFHVURJKSA-N 0 3 315.388 3.403 20 10 DGCDHN COc1ccc(O)c(CNCc2ccc(OC(C)(C)C)nc2)c1 ZINC000181128411 659981784 /nfs/dbraw/zinc/98/17/84/659981784.db2.gz GVEMWFHTCJYXQF-UHFFFAOYSA-N 0 3 316.401 3.263 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(C)C ZINC000934706123 661728252 /nfs/dbraw/zinc/72/82/52/661728252.db2.gz DNSHQHHOPTXHBO-MRXNPFEDSA-N 0 3 304.434 3.004 20 10 DGCDHN CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000187685750 661902434 /nfs/dbraw/zinc/90/24/34/661902434.db2.gz LINNNGUVMCMTSS-ZIAGYGMSSA-N 0 3 320.433 3.300 20 10 DGCDHN COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974685 662325846 /nfs/dbraw/zinc/32/58/46/662325846.db2.gz JGOWTRFAGCLJIJ-UHFFFAOYSA-N 0 3 323.396 3.423 20 10 DGCDHN COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974685 662325849 /nfs/dbraw/zinc/32/58/49/662325849.db2.gz JGOWTRFAGCLJIJ-UHFFFAOYSA-N 0 3 323.396 3.423 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000248529210 662351909 /nfs/dbraw/zinc/35/19/09/662351909.db2.gz WPFRTMZGJNHFHX-JYJNAYRXSA-N 0 3 320.477 3.239 20 10 DGCDHN CC[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000397788715 685232404 /nfs/dbraw/zinc/23/24/04/685232404.db2.gz AABMZCCFBRUTSL-HNNXBMFYSA-N 0 3 320.433 3.300 20 10 DGCDHN Nc1ccc(CNCc2cccc(NC(=O)C3CCC3)c2)cc1 ZINC001335289300 1178885739 /nfs/dbraw/zinc/88/57/39/1178885739.db2.gz MFUCBDFLVKVVOP-UHFFFAOYSA-N 0 3 309.413 3.297 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2cc(C)oc2C)c(O)c1OC ZINC001355242457 1181018790 /nfs/dbraw/zinc/01/87/90/1181018790.db2.gz BCPSTJFVDGXPKE-NSHDSACASA-N 0 3 305.374 3.470 20 10 DGCDHN C[Si](C)(C)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC001462265393 1182930257 /nfs/dbraw/zinc/93/02/57/1182930257.db2.gz DYJLHUVWPUDLQD-UHFFFAOYSA-N 0 3 303.453 3.366 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c([O-])c1 ZINC001462303620 1182936893 /nfs/dbraw/zinc/93/68/93/1182936893.db2.gz HKZDPVNCOLMECU-SFHVURJKSA-N 0 3 308.425 3.338 20 10 DGCDHN Cc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c([O-])c1 ZINC001462303620 1182936896 /nfs/dbraw/zinc/93/68/96/1182936896.db2.gz HKZDPVNCOLMECU-SFHVURJKSA-N 0 3 308.425 3.338 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1ccc(N(C)C)nc1 ZINC001473926744 1183830572 /nfs/dbraw/zinc/83/05/72/1183830572.db2.gz HFRKANZGRJGVCM-UHFFFAOYSA-N 0 3 308.429 3.238 20 10 DGCDHN CCOCc1cc(CNCc2cccc(CO)c2)ccc1OC ZINC001473992437 1183845573 /nfs/dbraw/zinc/84/55/73/1183845573.db2.gz ADWJUEVVLYDWMC-UHFFFAOYSA-N 0 3 315.413 3.014 20 10 DGCDHN C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001474348765 1183907407 /nfs/dbraw/zinc/90/74/07/1183907407.db2.gz LCHBWOKKQWLMML-AWEZNQCLSA-N 0 3 308.853 3.209 20 10 DGCDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001474348765 1183907409 /nfs/dbraw/zinc/90/74/09/1183907409.db2.gz LCHBWOKKQWLMML-AWEZNQCLSA-N 0 3 308.853 3.209 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001474378739 1183911493 /nfs/dbraw/zinc/91/14/93/1183911493.db2.gz GVEYRZGHMLCHQH-YWPBOTNQSA-N 0 3 322.456 3.435 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c([O-])c1 ZINC001474631084 1183952488 /nfs/dbraw/zinc/95/24/88/1183952488.db2.gz WTJPEHKDOUNBID-DNVCBOLYSA-N 0 3 319.445 3.490 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c([O-])c1 ZINC001474631084 1183952490 /nfs/dbraw/zinc/95/24/90/1183952490.db2.gz WTJPEHKDOUNBID-DNVCBOLYSA-N 0 3 319.445 3.490 20 10 DGCDHN COc1cc(CC[NH2+]Cc2ccc(C)cc2[O-])cc(OC)c1 ZINC001474756840 1183973990 /nfs/dbraw/zinc/97/39/90/1183973990.db2.gz MSENKRZUWGXXRG-UHFFFAOYSA-N 0 3 301.386 3.050 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2CC[C@@H](C3CC3)O2)cc1F ZINC001621087442 1193483480 /nfs/dbraw/zinc/48/34/80/1193483480.db2.gz MBHSFOFALUBTDT-GUYCJALGSA-N 0 3 310.388 3.078 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1ccccc1[O-] ZINC001560074896 1189275248 /nfs/dbraw/zinc/27/52/48/1189275248.db2.gz KRNFBGZRBLYUHT-NEPJUHHUSA-N 0 3 302.349 3.209 20 10 DGCDHN COC(=O)c1c(CN2C[C@H](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC001560687726 1189360963 /nfs/dbraw/zinc/36/09/63/1189360963.db2.gz OGMAXGMZJLPJSG-TXEJJXNPSA-N 0 3 318.392 3.192 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c([O-])c1 ZINC001560710533 1189364973 /nfs/dbraw/zinc/36/49/73/1189364973.db2.gz NURCVCVCUFVBKU-MRXNPFEDSA-N 0 3 305.418 3.256 20 10 DGCDHN COc1cc(C)c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c([O-])c1 ZINC001560766628 1189377361 /nfs/dbraw/zinc/37/73/61/1189377361.db2.gz VIXOCVPZUKKCKN-UHFFFAOYSA-N 0 3 315.413 3.226 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c([O-])c1 ZINC001560794207 1189383701 /nfs/dbraw/zinc/38/37/01/1189383701.db2.gz MSEGMAWCFQOIOR-OAHLLOKOSA-N 0 3 313.397 3.062 20 10 DGCDHN COc1cc(C)c(C[NH2+]C2CC(Nc3ccccc3)C2)c([O-])c1 ZINC001560998215 1189418057 /nfs/dbraw/zinc/41/80/57/1189418057.db2.gz RHSJZOUMITTYQG-UHFFFAOYSA-N 0 3 312.413 3.442 20 10 DGCDHN CC(C)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001627464606 1194130643 /nfs/dbraw/zinc/13/06/43/1194130643.db2.gz OXRRMRDLUWHLRG-GOSISDBHSA-N 0 3 319.493 3.298 20 10 DGCDHN O=C(Nc1ccc(Nc2ccncc2)cc1)C1=CC(=O)CS1 ZINC001631879183 1194359930 /nfs/dbraw/zinc/35/99/30/1194359930.db2.gz MWZWJWPXXBZNKH-UHFFFAOYSA-N 0 3 311.366 3.267 20 10 DGCDHN CCOC(=O)/C=C/C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001641730964 1194868735 /nfs/dbraw/zinc/86/87/35/1194868735.db2.gz BPPGTDUOBARNMP-KPKJPENVSA-N 0 3 303.402 3.256 20 10 DGCDHN CCOC(=O)/C=C/C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001641730964 1194868739 /nfs/dbraw/zinc/86/87/39/1194868739.db2.gz BPPGTDUOBARNMP-KPKJPENVSA-N 0 3 303.402 3.256 20 10 DGCDHN CN(C)c1ccc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)cc1 ZINC001645534801 1195191807 /nfs/dbraw/zinc/19/18/07/1195191807.db2.gz RWNQKMYVVLXIKX-NRFANRHFSA-N 0 3 323.484 3.111 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@H]1COc2ccccc2[C@H]1O ZINC001651156616 1195420777 /nfs/dbraw/zinc/42/07/77/1195420777.db2.gz GRIIASJYZQQPFM-OXJNMPFZSA-N 0 3 322.408 3.071 20 10 DGCDHN C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1[O-] ZINC001655349289 1195906364 /nfs/dbraw/zinc/90/63/64/1195906364.db2.gz GHWJGQBQWSVYSQ-JTQLQIEISA-N 0 3 322.767 3.474 20 10 DGCDHN Cc1ccnc(CNCc2cc(Br)cc(C)c2O)c1 ZINC001658823195 1196304820 /nfs/dbraw/zinc/30/48/20/1196304820.db2.gz DCTTZHXDBIVFQC-UHFFFAOYSA-N 0 3 321.218 3.456 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC001659250725 1196363043 /nfs/dbraw/zinc/36/30/43/1196363043.db2.gz VXUMDTXTKIZHPZ-KDOFPFPSSA-N 0 3 307.434 3.250 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCc2c(F)cc([O-])cc2F)c(O)c1 ZINC001660766907 1196521479 /nfs/dbraw/zinc/52/14/79/1196521479.db2.gz VJXBOXJXGITTDY-UHFFFAOYSA-N 0 3 323.339 3.025 20 10 DGCDHN CC(C)N1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001661351178 1196597042 /nfs/dbraw/zinc/59/70/42/1196597042.db2.gz MSRRZMNSRJXQLR-LBPRGKRZSA-N 0 3 314.832 3.395 20 10 DGCDHN CCCOc1ccc(CN[C@@H](COC)[C@H]2CCCO2)cc1C ZINC001662332310 1196709166 /nfs/dbraw/zinc/70/91/66/1196709166.db2.gz HFTHLICQQXSBQH-FUHWJXTLSA-N 0 3 307.434 3.067 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN1CCN(c2ccccc2)CC1 ZINC001664057726 1196967566 /nfs/dbraw/zinc/96/75/66/1196967566.db2.gz OIVJWKHWKYXIKT-UHFFFAOYSA-N 0 3 309.457 3.383 20 10 DGCDHN CN1CCCC[C@@H]1c1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001169993276 1081804948 /nfs/dbraw/zinc/80/49/48/1081804948.db2.gz QVZSRFPHNYPYDR-OAHLLOKOSA-N 0 3 313.401 3.262 20 10 DGCDHN COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001170297149 1082338495 /nfs/dbraw/zinc/33/84/95/1082338495.db2.gz KPVMTMFPGVMXLX-LBPRGKRZSA-N 0 3 316.357 3.030 20 10 DGCDHN Cc1cccc(OC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC000154338093 1084513215 /nfs/dbraw/zinc/51/32/15/1084513215.db2.gz GSCRETDKPNHGCH-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1cc(C)c(CNc2cc(N3CCCC3)nc(C)n2)c(O)c1 ZINC001160808612 1088975758 /nfs/dbraw/zinc/97/57/58/1088975758.db2.gz UZNLUBOEZCUOMF-UHFFFAOYSA-N 0 3 312.417 3.320 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550073 1090585344 /nfs/dbraw/zinc/58/53/44/1090585344.db2.gz GTXHHJNFUTWYES-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550073 1090585346 /nfs/dbraw/zinc/58/53/46/1090585346.db2.gz GTXHHJNFUTWYES-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(Oc2cccc(Cl)n2)CC1 ZINC001203558735 1090618070 /nfs/dbraw/zinc/61/80/70/1090618070.db2.gz ZDZWOFCXCJHOPW-UHFFFAOYSA-N 0 3 318.804 3.484 20 10 DGCDHN COc1cccc(O[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC001203556454 1090755697 /nfs/dbraw/zinc/75/56/97/1090755697.db2.gz QKMXIVHSUWDOMI-SFHVURJKSA-N 0 3 313.397 3.444 20 10 DGCDHN COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC001203556454 1090755701 /nfs/dbraw/zinc/75/57/01/1090755701.db2.gz QKMXIVHSUWDOMI-SFHVURJKSA-N 0 3 313.397 3.444 20 10 DGCDHN O=C(C1CCCCC1)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC001203558470 1090755823 /nfs/dbraw/zinc/75/58/23/1090755823.db2.gz IMJVWTXBBMYNNX-UHFFFAOYSA-N 0 3 316.445 3.007 20 10 DGCDHN O=C(C1CCCCC1)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC001203558470 1090755828 /nfs/dbraw/zinc/75/58/28/1090755828.db2.gz IMJVWTXBBMYNNX-UHFFFAOYSA-N 0 3 316.445 3.007 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001203560846 1090756509 /nfs/dbraw/zinc/75/65/09/1090756509.db2.gz HRBOXULPFUUQTP-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001203560846 1090756516 /nfs/dbraw/zinc/75/65/16/1090756516.db2.gz HRBOXULPFUUQTP-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN COc1cccc(CN2CCOC[C@@H]2C2CCCCC2)c1O ZINC001203601734 1090765272 /nfs/dbraw/zinc/76/52/72/1090765272.db2.gz IVIJHEGEUFAWJT-MRXNPFEDSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc([C@H]2CC[N@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203634501 1090770125 /nfs/dbraw/zinc/77/01/25/1090770125.db2.gz JHJKZXKBLHDFTK-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cccc([C@H]2CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203634501 1090770128 /nfs/dbraw/zinc/77/01/28/1090770128.db2.gz JHJKZXKBLHDFTK-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc(CN2CCc3cccc(O)c3C2)c(OC)c1C ZINC001204268583 1090936963 /nfs/dbraw/zinc/93/69/63/1090936963.db2.gz XHHRBHOZRFORQW-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN COc1cc(CN2CC[C@H](c3ccc(F)cc3)C2)cc(O)c1O ZINC001204346436 1090952818 /nfs/dbraw/zinc/95/28/18/1090952818.db2.gz PMDRNJJLNVHAIN-AWEZNQCLSA-N 0 3 317.360 3.235 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC001205238836 1091144516 /nfs/dbraw/zinc/14/45/16/1091144516.db2.gz XNSHZXHWSSXUGD-ZWKOTPCHSA-N 0 3 305.418 3.004 20 10 DGCDHN CCN(CC)c1ccc(CN2CCOC[C@@H](C)C2)c(OC)c1 ZINC001138385831 1091161625 /nfs/dbraw/zinc/16/16/25/1091161625.db2.gz AIMKVNWXDVCFHK-HNNXBMFYSA-N 0 3 306.450 3.010 20 10 DGCDHN CCN(CC)c1ccc(CN(CCOC)C(C)C)c(OC)c1 ZINC001138390191 1091163118 /nfs/dbraw/zinc/16/31/18/1091163118.db2.gz YNYFTNONPPDRCP-UHFFFAOYSA-N 0 3 308.466 3.398 20 10 DGCDHN CCCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@@H]2OC)cc1C ZINC001205298570 1091171300 /nfs/dbraw/zinc/17/13/00/1091171300.db2.gz GLTQKQOBTMZWFL-BPQIPLTHSA-N 0 3 307.434 3.066 20 10 DGCDHN COc1ccc(F)c(CNCc2c(C)cc(OC)cc2O)c1 ZINC001206743875 1091720660 /nfs/dbraw/zinc/72/06/60/1091720660.db2.gz VKYDPWAPDVBSQC-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057401 1091751108 /nfs/dbraw/zinc/75/11/08/1091751108.db2.gz FPVHCBWYCNZULS-QGZVFWFLSA-N 0 3 309.381 3.087 20 10 DGCDHN CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057401 1091751116 /nfs/dbraw/zinc/75/11/16/1091751116.db2.gz FPVHCBWYCNZULS-QGZVFWFLSA-N 0 3 309.381 3.087 20 10 DGCDHN CCCn1cc(CN[C@H](C)c2cc(OC)ccc2O)c(C)n1 ZINC001203000458 1091762706 /nfs/dbraw/zinc/76/27/06/1091762706.db2.gz OXCGMVAGNPGIEE-CYBMUJFWSA-N 0 3 303.406 3.167 20 10 DGCDHN Cc1ccc(C)c(CN2CCN(c3ccccc3F)CC2)c1O ZINC001140179741 1091792040 /nfs/dbraw/zinc/79/20/40/1091792040.db2.gz NWIYZXCOSLYQLQ-UHFFFAOYSA-N 0 3 314.404 3.470 20 10 DGCDHN Cc1ccc(C)c(CN2CC3(CCN3Cc3ccccc3)C2)c1O ZINC001140182721 1091793327 /nfs/dbraw/zinc/79/33/27/1091793327.db2.gz YEJVAYYRFXKDFU-UHFFFAOYSA-N 0 3 322.452 3.469 20 10 DGCDHN Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)c(C)cc1O ZINC001140201885 1091799290 /nfs/dbraw/zinc/79/92/90/1091799290.db2.gz FEGVPOQPYFYUBS-UHFFFAOYSA-N 0 3 313.397 3.369 20 10 DGCDHN C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001207208170 1091889456 /nfs/dbraw/zinc/88/94/56/1091889456.db2.gz FHIWHDSWQCHMEK-KRWDZBQOSA-N 0 3 323.795 3.268 20 10 DGCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC12CCCC2 ZINC001140660381 1091949891 /nfs/dbraw/zinc/94/98/91/1091949891.db2.gz QEKZDVWGPRSIQE-UHFFFAOYSA-N 0 3 304.409 3.181 20 10 DGCDHN CCN(CC)c1ccc(CN2CCCC(=O)[C@H](C)C2)c(O)c1 ZINC001140850088 1092029691 /nfs/dbraw/zinc/02/96/91/1092029691.db2.gz CZCRVYYMOOLNBY-CQSZACIVSA-N 0 3 304.434 3.039 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001140921763 1092062910 /nfs/dbraw/zinc/06/29/10/1092062910.db2.gz OXHDJEULWBTTTL-YOEHRIQHSA-N 0 3 308.853 3.407 20 10 DGCDHN COC(=O)[C@H]1C[C@H](C)CN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925775 1092064527 /nfs/dbraw/zinc/06/45/27/1092064527.db2.gz VODYAGDUGFQLND-JSGCOSHPSA-N 0 3 324.852 3.037 20 10 DGCDHN CN(C)c1ccc(CN(C)CCc2cccnc2)c(Cl)c1 ZINC001140924648 1092065759 /nfs/dbraw/zinc/06/57/59/1092065759.db2.gz KHIXWNAXERQNJD-UHFFFAOYSA-N 0 3 303.837 3.476 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001140950207 1092077748 /nfs/dbraw/zinc/07/77/48/1092077748.db2.gz VJLUTIKGGXHFRY-QGZVFWFLSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001140950207 1092077758 /nfs/dbraw/zinc/07/77/58/1092077758.db2.gz VJLUTIKGGXHFRY-QGZVFWFLSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c([O-])c1 ZINC001140957491 1092079639 /nfs/dbraw/zinc/07/96/39/1092079639.db2.gz BGELZNNPKXVNQE-HNNXBMFYSA-N 0 3 305.418 3.397 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c([O-])c1 ZINC001140957491 1092079646 /nfs/dbraw/zinc/07/96/46/1092079646.db2.gz BGELZNNPKXVNQE-HNNXBMFYSA-N 0 3 305.418 3.397 20 10 DGCDHN Cc1ccc(CN2CCC[C@H]2C(=O)Nc2ccccc2)c(O)c1 ZINC001140954244 1092080196 /nfs/dbraw/zinc/08/01/96/1092080196.db2.gz NUPJVFQTANBSIH-KRWDZBQOSA-N 0 3 310.397 3.304 20 10 DGCDHN CN(C)c1ccc(CN(C)CCOC(=O)c2ccccc2)cc1 ZINC001209049137 1092634868 /nfs/dbraw/zinc/63/48/68/1092634868.db2.gz WGXPEIRVIIQGML-UHFFFAOYSA-N 0 3 312.413 3.041 20 10 DGCDHN COc1ccc(N2CCN(Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000179531116 1093795140 /nfs/dbraw/zinc/79/51/40/1093795140.db2.gz BWHVQUXLHCLVKS-UHFFFAOYSA-N 0 3 321.424 3.499 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170903256 1094900622 /nfs/dbraw/zinc/90/06/22/1094900622.db2.gz VOTZRFGMMHUMGK-ZDUSSCGKSA-N 0 3 303.789 3.398 20 10 DGCDHN C[C@@H](N)C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001219204258 1094952220 /nfs/dbraw/zinc/95/22/20/1094952220.db2.gz WUXMGDLZUBRNQB-ISZGNANSSA-N 0 3 309.413 3.209 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313354082 1095005853 /nfs/dbraw/zinc/00/58/53/1095005853.db2.gz PXHZVYXYXPIMEU-MRXNPFEDSA-N 0 3 302.805 3.192 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270839 1095523439 /nfs/dbraw/zinc/52/34/39/1095523439.db2.gz AGYBMEBTVRTZKJ-QGZVFWFLSA-N 0 3 308.853 3.320 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270838 1095524038 /nfs/dbraw/zinc/52/40/38/1095524038.db2.gz AGYBMEBTVRTZKJ-KRWDZBQOSA-N 0 3 308.853 3.320 20 10 DGCDHN Cc1cc([O-])c(CN2CCC3(CCCC[NH2+]3)CC2)cc1Cl ZINC001222298548 1095537622 /nfs/dbraw/zinc/53/76/22/1095537622.db2.gz ZOQSBFZOWNTNBE-UHFFFAOYSA-N 0 3 308.853 3.462 20 10 DGCDHN C[N@H+](Cc1cccc(-c2cncnc2)c1)Cc1ccccc1[O-] ZINC001137771912 1095739146 /nfs/dbraw/zinc/73/91/46/1095739146.db2.gz ZUPLTYVLBYRDJR-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN C[N@@H+](Cc1cccc(-c2cncnc2)c1)Cc1ccccc1[O-] ZINC001137771912 1095739155 /nfs/dbraw/zinc/73/91/55/1095739155.db2.gz ZUPLTYVLBYRDJR-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171349507 1096519423 /nfs/dbraw/zinc/51/94/23/1096519423.db2.gz KAJGRNBPRWGNSQ-CYBMUJFWSA-N 0 3 305.324 3.023 20 10 DGCDHN CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C1 ZINC001173647828 1097491190 /nfs/dbraw/zinc/49/11/90/1097491190.db2.gz CCTDMENUCJMIAF-GJZGRUSLSA-N 0 3 305.418 3.221 20 10 DGCDHN Cc1cnccc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001174537832 1097747880 /nfs/dbraw/zinc/74/78/80/1097747880.db2.gz RPVJUVNFZNNTAE-UHFFFAOYSA-N 0 3 314.344 3.331 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+]2CC[C@H](C)C2)c1[O-] ZINC001231550225 1097778000 /nfs/dbraw/zinc/77/80/00/1097778000.db2.gz KRWJZKBWTKULTA-VIFPVBQESA-N 0 3 300.196 3.005 20 10 DGCDHN COc1ccc(Br)c(C[N@H+]2CC[C@H](C)C2)c1[O-] ZINC001231550225 1097778003 /nfs/dbraw/zinc/77/80/03/1097778003.db2.gz KRWJZKBWTKULTA-VIFPVBQESA-N 0 3 300.196 3.005 20 10 DGCDHN COc1cc([O-])c(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC001232270070 1097987846 /nfs/dbraw/zinc/98/78/46/1097987846.db2.gz RWRKAYNBRUTCOT-CQSZACIVSA-N 0 3 324.852 3.114 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(OC)nc1C ZINC001232335929 1098007609 /nfs/dbraw/zinc/00/76/09/1098007609.db2.gz CPFKEKFHARDFSJ-UHFFFAOYSA-N 0 3 313.445 3.487 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c1[O-] ZINC001233287675 1098277585 /nfs/dbraw/zinc/27/75/85/1098277585.db2.gz CASBEPOUECGWID-BZNIZROVSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c1[O-] ZINC001233287675 1098277589 /nfs/dbraw/zinc/27/75/89/1098277589.db2.gz CASBEPOUECGWID-BZNIZROVSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1[O-] ZINC001233288224 1098277690 /nfs/dbraw/zinc/27/76/90/1098277690.db2.gz CRCVIELVQRZICL-COPLHBTASA-N 0 3 311.809 3.054 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1[O-] ZINC001233288224 1098277696 /nfs/dbraw/zinc/27/76/96/1098277696.db2.gz CRCVIELVQRZICL-COPLHBTASA-N 0 3 311.809 3.054 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1[O-] ZINC001233289761 1098278314 /nfs/dbraw/zinc/27/83/14/1098278314.db2.gz MXOXZQQDNYPZFU-CYBMUJFWSA-N 0 3 318.804 3.439 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1[O-] ZINC001233289761 1098278318 /nfs/dbraw/zinc/27/83/18/1098278318.db2.gz MXOXZQQDNYPZFU-CYBMUJFWSA-N 0 3 318.804 3.439 20 10 DGCDHN CO[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233760866 1098425165 /nfs/dbraw/zinc/42/51/65/1098425165.db2.gz MLCRCOVXDXBCJP-GFCCVEGCSA-N 0 3 319.323 3.292 20 10 DGCDHN CO[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233760866 1098425169 /nfs/dbraw/zinc/42/51/69/1098425169.db2.gz MLCRCOVXDXBCJP-GFCCVEGCSA-N 0 3 319.323 3.292 20 10 DGCDHN [O-]c1c(C[NH+]2CCC3(CCO3)CC2)cccc1OC(F)(F)F ZINC001233761549 1098425365 /nfs/dbraw/zinc/42/53/65/1098425365.db2.gz VIKFKUVGHLVAOR-UHFFFAOYSA-N 0 3 317.307 3.046 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4C[C@@H]4[C@H](F)C3)c2c1 ZINC001234526353 1098581535 /nfs/dbraw/zinc/58/15/35/1098581535.db2.gz UDUCONZQCOWICA-YLQAJVPDSA-N 0 3 301.361 3.344 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4C[C@@H]4[C@H](F)C3)c2c1 ZINC001234526353 1098581544 /nfs/dbraw/zinc/58/15/44/1098581544.db2.gz UDUCONZQCOWICA-YLQAJVPDSA-N 0 3 301.361 3.344 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@@H]3C3CC3)c2c1 ZINC001234569873 1098603424 /nfs/dbraw/zinc/60/34/24/1098603424.db2.gz TTYXSZNZBOHMSK-GOSISDBHSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@@H]3C3CC3)c2c1 ZINC001234569873 1098603430 /nfs/dbraw/zinc/60/34/30/1098603430.db2.gz TTYXSZNZBOHMSK-GOSISDBHSA-N 0 3 313.397 3.165 20 10 DGCDHN COCC[NH+](CCOC)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234989302 1098736052 /nfs/dbraw/zinc/73/60/52/1098736052.db2.gz CSGLFFKDSBADSI-UHFFFAOYSA-N 0 3 315.413 3.154 20 10 DGCDHN Cc1nnc(-c2ccc(C[N@@H+]3CCc4cccc([O-])c4C3)cc2)o1 ZINC001235066836 1098781337 /nfs/dbraw/zinc/78/13/37/1098781337.db2.gz UOUPBKMYSMQFOA-UHFFFAOYSA-N 0 3 321.380 3.309 20 10 DGCDHN Cc1nnc(-c2ccc(C[N@H+]3CCc4cccc([O-])c4C3)cc2)o1 ZINC001235066836 1098781348 /nfs/dbraw/zinc/78/13/48/1098781348.db2.gz UOUPBKMYSMQFOA-UHFFFAOYSA-N 0 3 321.380 3.309 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001235258997 1098931001 /nfs/dbraw/zinc/93/10/01/1098931001.db2.gz UKLMBFSOCHLDOZ-WFASDCNBSA-N 0 3 308.853 3.137 20 10 DGCDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679439 1099122333 /nfs/dbraw/zinc/12/23/33/1099122333.db2.gz ONGXJBUANXOLEA-ZFWWWQNUSA-N 0 3 319.445 3.321 20 10 DGCDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679439 1099122338 /nfs/dbraw/zinc/12/23/38/1099122338.db2.gz ONGXJBUANXOLEA-ZFWWWQNUSA-N 0 3 319.445 3.321 20 10 DGCDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681260 1099124346 /nfs/dbraw/zinc/12/43/46/1099124346.db2.gz ZOTSVPGEHDXBBO-IBGZPJMESA-N 0 3 319.445 3.465 20 10 DGCDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681260 1099124349 /nfs/dbraw/zinc/12/43/49/1099124349.db2.gz ZOTSVPGEHDXBBO-IBGZPJMESA-N 0 3 319.445 3.465 20 10 DGCDHN CCOC(=O)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235682769 1099126897 /nfs/dbraw/zinc/12/68/97/1099126897.db2.gz PWNWDEOJHOHAJT-UHFFFAOYSA-N 0 3 319.445 3.465 20 10 DGCDHN CCN(Cc1c([O-])ccc(Cl)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236412112 1099585478 /nfs/dbraw/zinc/58/54/78/1099585478.db2.gz RBKLWURDLDUABU-SNVBAGLBSA-N 0 3 303.233 3.130 20 10 DGCDHN CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236783864 1099781677 /nfs/dbraw/zinc/78/16/77/1099781677.db2.gz PFEKLHKARUUJHN-HNNXBMFYSA-N 0 3 305.418 3.120 20 10 DGCDHN CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236783864 1099781689 /nfs/dbraw/zinc/78/16/89/1099781689.db2.gz PFEKLHKARUUJHN-HNNXBMFYSA-N 0 3 305.418 3.120 20 10 DGCDHN COCC1CN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236792469 1099788928 /nfs/dbraw/zinc/78/89/28/1099788928.db2.gz MSJVMOGBGGTYOK-UHFFFAOYSA-N 0 3 313.397 3.049 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC3(CCOCC3)CC2)c([O-])c1 ZINC001236810362 1099801081 /nfs/dbraw/zinc/80/10/81/1099801081.db2.gz DTDHTZYDXOMQHV-UHFFFAOYSA-N 0 3 305.418 3.102 20 10 DGCDHN COC(=O)CC[C@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833173 1099819494 /nfs/dbraw/zinc/81/94/94/1099819494.db2.gz PEZZLIZKIPFKIZ-AWEZNQCLSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833173 1099819500 /nfs/dbraw/zinc/81/95/00/1099819500.db2.gz PEZZLIZKIPFKIZ-AWEZNQCLSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)C[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236838308 1099824137 /nfs/dbraw/zinc/82/41/37/1099824137.db2.gz XQNMVGRDXOCHKJ-CQSZACIVSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)C[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236838308 1099824152 /nfs/dbraw/zinc/82/41/52/1099824152.db2.gz XQNMVGRDXOCHKJ-CQSZACIVSA-N 0 3 313.397 3.321 20 10 DGCDHN CC(C)(C)c1cccc(CN2CCNC[C@@H]2C(F)(F)F)c1O ZINC001236975769 1099898407 /nfs/dbraw/zinc/89/84/07/1099898407.db2.gz KDGDXSJOTLXCSL-CYBMUJFWSA-N 0 3 316.367 3.026 20 10 DGCDHN CCN(C(C)=O)C1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237055363 1099946693 /nfs/dbraw/zinc/94/66/93/1099946693.db2.gz MZODHJMDQJAPSQ-UHFFFAOYSA-N 0 3 318.461 3.348 20 10 DGCDHN CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(C(C)C)cc2[O-])C(C)C)C1 ZINC001237054696 1099948727 /nfs/dbraw/zinc/94/87/27/1099948727.db2.gz DPONAHYVMYJSOZ-GOSISDBHSA-N 0 3 318.461 3.347 20 10 DGCDHN CC(=O)N1CC[C@@H]([N@H+](Cc2ccc(C(C)C)cc2[O-])C(C)C)C1 ZINC001237054696 1099948734 /nfs/dbraw/zinc/94/87/34/1099948734.db2.gz DPONAHYVMYJSOZ-GOSISDBHSA-N 0 3 318.461 3.347 20 10 DGCDHN C[N@@H+]1CC[C@@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@@H]2C1 ZINC001237079283 1099958188 /nfs/dbraw/zinc/95/81/88/1099958188.db2.gz JQFQNPLFLALSTC-MNOVXSKESA-N 0 3 315.244 3.083 20 10 DGCDHN C[N@H+]1CC[C@@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@@H]2C1 ZINC001237079283 1099958200 /nfs/dbraw/zinc/95/82/00/1099958200.db2.gz JQFQNPLFLALSTC-MNOVXSKESA-N 0 3 315.244 3.083 20 10 DGCDHN [NH3+]C[C@H]1CCC(F)(F)CN1Cc1ccc2ccccc2c1[O-] ZINC001237131872 1099986946 /nfs/dbraw/zinc/98/69/46/1099986946.db2.gz SYXBWADMNWDTBT-CQSZACIVSA-N 0 3 306.356 3.104 20 10 DGCDHN CC(C)O[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237145532 1099992095 /nfs/dbraw/zinc/99/20/95/1099992095.db2.gz NUFIAAGMJIZLNX-ZDUSSCGKSA-N 0 3 303.324 3.410 20 10 DGCDHN CC(C)O[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237145532 1099992105 /nfs/dbraw/zinc/99/21/05/1099992105.db2.gz NUFIAAGMJIZLNX-ZDUSSCGKSA-N 0 3 303.324 3.410 20 10 DGCDHN CC(C)O[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237145532 1099992112 /nfs/dbraw/zinc/99/21/12/1099992112.db2.gz NUFIAAGMJIZLNX-ZDUSSCGKSA-N 0 3 303.324 3.410 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(N(C)C)nc1 ZINC000156849900 1100073561 /nfs/dbraw/zinc/07/35/61/1100073561.db2.gz FHIHFLZWOYWYMH-UHFFFAOYSA-N 0 3 312.461 3.236 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CCNc3ccccc32)CC1 ZINC001237318793 1100073987 /nfs/dbraw/zinc/07/39/87/1100073987.db2.gz JXPZTKZXSCZEGV-UHFFFAOYSA-N 0 3 324.424 3.447 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001237484567 1100139130 /nfs/dbraw/zinc/13/91/30/1100139130.db2.gz FYUXUBDOFISDSM-DOMZBBRYSA-N 0 3 317.351 3.226 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001237484567 1100139132 /nfs/dbraw/zinc/13/91/32/1100139132.db2.gz FYUXUBDOFISDSM-DOMZBBRYSA-N 0 3 317.351 3.226 20 10 DGCDHN COC(=O)c1ccc2c(c1)CN(Cc1c(C)cccc1O)CC2 ZINC001237486830 1100139185 /nfs/dbraw/zinc/13/91/85/1100139185.db2.gz CSJSPCCGUMRDRK-UHFFFAOYSA-N 0 3 311.381 3.046 20 10 DGCDHN Cc1cccc(O)c1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC001237488018 1100141845 /nfs/dbraw/zinc/14/18/45/1100141845.db2.gz PERGRQJHRGTAJJ-UHFFFAOYSA-N 0 3 319.408 3.445 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@@H]1O ZINC001237641239 1100199868 /nfs/dbraw/zinc/19/98/68/1100199868.db2.gz OXASWFNWEHSVAV-UGSOOPFHSA-N 0 3 315.388 3.401 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@@H]1O ZINC001237641239 1100199869 /nfs/dbraw/zinc/19/98/69/1100199869.db2.gz OXASWFNWEHSVAV-UGSOOPFHSA-N 0 3 315.388 3.401 20 10 DGCDHN C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])[C@@H]1CCOC1 ZINC001237643730 1100201740 /nfs/dbraw/zinc/20/17/40/1100201740.db2.gz BDLWVYZLPRLKAQ-QGZVFWFLSA-N 0 3 301.361 3.419 20 10 DGCDHN C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])[C@@H]1CCOC1 ZINC001237643730 1100201747 /nfs/dbraw/zinc/20/17/47/1100201747.db2.gz BDLWVYZLPRLKAQ-QGZVFWFLSA-N 0 3 301.361 3.419 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](CO)C1 ZINC001237643687 1100202092 /nfs/dbraw/zinc/20/20/92/1100202092.db2.gz PWZRPKUOMMMDFK-CYBMUJFWSA-N 0 3 301.361 3.013 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC001237643687 1100202098 /nfs/dbraw/zinc/20/20/98/1100202098.db2.gz PWZRPKUOMMMDFK-CYBMUJFWSA-N 0 3 301.361 3.013 20 10 DGCDHN CCN(Cc1cccs1)Cc1cc(OC)cc(OC)c1O ZINC001237679787 1100211833 /nfs/dbraw/zinc/21/18/33/1100211833.db2.gz FCAAZZFSOAMDCI-UHFFFAOYSA-N 0 3 307.415 3.493 20 10 DGCDHN COc1cc(CN2CCC[C@H]2c2ccccn2)c(O)c(OC)c1 ZINC001237677102 1100212159 /nfs/dbraw/zinc/21/21/59/1100212159.db2.gz XCZXHEAQBUOENU-INIZCTEOSA-N 0 3 314.385 3.142 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c1[O-] ZINC001237681244 1100212853 /nfs/dbraw/zinc/21/28/53/1100212853.db2.gz MBKIIIPZLDSLSW-HNNXBMFYSA-N 0 3 301.789 3.041 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](F)(CO)CC2)c1[O-] ZINC001237681244 1100212859 /nfs/dbraw/zinc/21/28/59/1100212859.db2.gz MBKIIIPZLDSLSW-HNNXBMFYSA-N 0 3 301.789 3.041 20 10 DGCDHN CCc1nc(C2CCN(Cc3cc(F)cc(C)c3O)CC2)no1 ZINC001238068962 1100348420 /nfs/dbraw/zinc/34/84/20/1100348420.db2.gz HHGAJWQXGCGTPE-UHFFFAOYSA-N 0 3 319.380 3.165 20 10 DGCDHN CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238069951 1100351338 /nfs/dbraw/zinc/35/13/38/1100351338.db2.gz LNAFSHJNPKMJDR-QGZVFWFLSA-N 0 3 309.381 3.005 20 10 DGCDHN CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238069951 1100351345 /nfs/dbraw/zinc/35/13/45/1100351345.db2.gz LNAFSHJNPKMJDR-QGZVFWFLSA-N 0 3 309.381 3.005 20 10 DGCDHN CC(C)(C)COC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001194413327 1100936809 /nfs/dbraw/zinc/93/68/09/1100936809.db2.gz KISOKVXLSVPUGP-UHFFFAOYSA-N 0 3 320.433 3.129 20 10 DGCDHN CN1CCC=C(c2ncnc3c2ccn3Cc2cccc(F)c2)C1 ZINC001241565925 1101549424 /nfs/dbraw/zinc/54/94/24/1101549424.db2.gz POGMQSZIFNYHOM-UHFFFAOYSA-N 0 3 322.387 3.338 20 10 DGCDHN O=c1[nH]c2cc(F)ccc2cc1CNCc1ccc2c(c1)CCO2 ZINC001199934345 1102254532 /nfs/dbraw/zinc/25/45/32/1102254532.db2.gz UJAKFGGJEXXKKQ-UHFFFAOYSA-N 0 3 324.355 3.304 20 10 DGCDHN COc1ccc(CNC/C=C\CNC(=O)c2ccccc2)cc1C ZINC001273814646 1102318904 /nfs/dbraw/zinc/31/89/04/1102318904.db2.gz JJWXIGDSSCKVFS-SREVYHEPSA-N 0 3 324.424 3.079 20 10 DGCDHN C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC2(CCC2)O1 ZINC001328505353 1103971563 /nfs/dbraw/zinc/97/15/63/1103971563.db2.gz ZNVLIUQNLXTXNK-INIZCTEOSA-N 0 3 300.446 3.430 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(-c2noc(CCN(C)C)n2)cc1 ZINC001247446860 1104904867 /nfs/dbraw/zinc/90/48/67/1104904867.db2.gz UVDXZRKFFYALIO-UHFFFAOYSA-N 0 3 310.401 3.248 20 10 DGCDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CCCC3)CC2)c([O-])c1 ZINC001249178027 1105241182 /nfs/dbraw/zinc/24/11/82/1105241182.db2.gz NTRFVYGXKRLHGL-UHFFFAOYSA-N 0 3 317.429 3.264 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@]4(CCCO4)C3)ccc2O1 ZINC001249230627 1105251354 /nfs/dbraw/zinc/25/13/54/1105251354.db2.gz NSZLGWKNGXNNBC-IBGZPJMESA-N 0 3 315.413 3.331 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@]4(CCCO4)C3)ccc2O1 ZINC001249230627 1105251355 /nfs/dbraw/zinc/25/13/55/1105251355.db2.gz NSZLGWKNGXNNBC-IBGZPJMESA-N 0 3 315.413 3.331 20 10 DGCDHN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252163 1105256699 /nfs/dbraw/zinc/25/66/99/1105256699.db2.gz HHXLTADZULHNED-MRXNPFEDSA-N 0 3 317.429 3.312 20 10 DGCDHN CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252163 1105256704 /nfs/dbraw/zinc/25/67/04/1105256704.db2.gz HHXLTADZULHNED-MRXNPFEDSA-N 0 3 317.429 3.312 20 10 DGCDHN CCCC[N@H+](C)Cc1ccc(OCCCC(=O)OCC)cc1[O-] ZINC001249727357 1105367596 /nfs/dbraw/zinc/36/75/96/1105367596.db2.gz ZVVAPSJPMXTRQL-UHFFFAOYSA-N 0 3 323.433 3.346 20 10 DGCDHN CCCC[N@@H+](C)Cc1ccc(OCCCC(=O)OCC)cc1[O-] ZINC001249727357 1105367603 /nfs/dbraw/zinc/36/76/03/1105367603.db2.gz ZVVAPSJPMXTRQL-UHFFFAOYSA-N 0 3 323.433 3.346 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCc2c(C)c(C)n[nH]c2=O)cc1 ZINC001320577784 1107059659 /nfs/dbraw/zinc/05/96/59/1107059659.db2.gz QGIDPNFJCMCJNW-AWEZNQCLSA-N 0 3 314.433 3.106 20 10 DGCDHN C[C@H](C[C@@H](O)c1ccco1)NCc1cc(F)c(N(C)C)cc1F ZINC001261787869 1107529850 /nfs/dbraw/zinc/52/98/50/1107529850.db2.gz DMPUJWJGDMFDGD-BDJLRTHQSA-N 0 3 324.371 3.226 20 10 DGCDHN CO[C@@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC001262053089 1107595901 /nfs/dbraw/zinc/59/59/01/1107595901.db2.gz PLNAKBWNFYICDE-HNNXBMFYSA-N 0 3 315.335 3.034 20 10 DGCDHN COc1ccc(C)cc1CNCc1cc(C)cc(OC)c1O ZINC001262109772 1107622092 /nfs/dbraw/zinc/62/20/92/1107622092.db2.gz GGJDMWHMMYINLO-UHFFFAOYSA-N 0 3 301.386 3.316 20 10 DGCDHN COC(=O)N1CCCN(Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC001318183294 1107881225 /nfs/dbraw/zinc/88/12/25/1107881225.db2.gz VCOWNBGEKZEFSG-UHFFFAOYSA-N 0 3 320.433 3.098 20 10 DGCDHN CN1CCN(c2ccc(CN3CC(C)(C)C3(C)C)cc2F)CC1 ZINC001323320570 1107933940 /nfs/dbraw/zinc/93/39/40/1107933940.db2.gz BVLQVSJVSDJPFO-UHFFFAOYSA-N 0 3 319.468 3.198 20 10 DGCDHN CC(C)CNC(=O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC001319858659 1108665893 /nfs/dbraw/zinc/66/58/93/1108665893.db2.gz IPLFZJFEDLQVPT-INIZCTEOSA-N 0 3 317.477 3.100 20 10 DGCDHN CCCOc1ccc(CN[C@H](CO)CC(F)(F)F)cc1C ZINC001333321837 1110120605 /nfs/dbraw/zinc/12/06/05/1110120605.db2.gz ONKUKZQHEQIHDP-ZDUSSCGKSA-N 0 3 305.340 3.187 20 10 DGCDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1O ZINC001308010404 1111365542 /nfs/dbraw/zinc/36/55/42/1111365542.db2.gz MMDYCYWPVPOIHP-SNVBAGLBSA-N 0 3 312.329 3.028 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@@H]1Cc2ccccc2NC1=O ZINC001308489080 1111434195 /nfs/dbraw/zinc/43/41/95/1111434195.db2.gz VFYALNMVZLLKFF-QGZVFWFLSA-N 0 3 319.408 3.140 20 10 DGCDHN CCN(CC)CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308556237 1111443689 /nfs/dbraw/zinc/44/36/89/1111443689.db2.gz XVPQTLGBNPDSTN-LLVKDONJSA-N 0 3 302.821 3.395 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1 ZINC001308638760 1111454205 /nfs/dbraw/zinc/45/42/05/1111454205.db2.gz IWPDTQFPVDNCKA-HOCLYGCPSA-N 0 3 307.434 3.393 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c([O-])c1 ZINC001308667840 1111458409 /nfs/dbraw/zinc/45/84/09/1111458409.db2.gz GGWIADCZUXLCLO-QFBILLFUSA-N 0 3 310.441 3.311 20 10 DGCDHN Cn1cc(-c2ccc(C[N@@H+]3Cc4cccc([O-])c4C3)cc2)cn1 ZINC001308911388 1111492122 /nfs/dbraw/zinc/49/21/22/1111492122.db2.gz SSXNYKRQHLIGTE-UHFFFAOYSA-N 0 3 305.381 3.309 20 10 DGCDHN Cn1cc(-c2ccc(C[N@H+]3Cc4cccc([O-])c4C3)cc2)cn1 ZINC001308911388 1111492125 /nfs/dbraw/zinc/49/21/25/1111492125.db2.gz SSXNYKRQHLIGTE-UHFFFAOYSA-N 0 3 305.381 3.309 20 10 DGCDHN Cn1cc(-c2ccc(CN3Cc4cccc(O)c4C3)cc2)cn1 ZINC001308911388 1111492128 /nfs/dbraw/zinc/49/21/28/1111492128.db2.gz SSXNYKRQHLIGTE-UHFFFAOYSA-N 0 3 305.381 3.309 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c([O-])c1 ZINC001308952824 1111499168 /nfs/dbraw/zinc/49/91/68/1111499168.db2.gz TWJWKOIGBIWJDG-INIZCTEOSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c([O-])c1 ZINC001308952824 1111499169 /nfs/dbraw/zinc/49/91/69/1111499169.db2.gz TWJWKOIGBIWJDG-INIZCTEOSA-N 0 3 319.445 3.348 20 10 DGCDHN CCOCc1ccccc1C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000236989665 202110098 /nfs/dbraw/zinc/11/00/98/202110098.db2.gz LAGCMQLPTAJWRZ-UHFFFAOYSA-N 0 3 301.386 3.227 20 10 DGCDHN CCOCc1ccccc1CNCc1cc(OC)ccc1O ZINC000236989665 202110102 /nfs/dbraw/zinc/11/01/02/202110102.db2.gz LAGCMQLPTAJWRZ-UHFFFAOYSA-N 0 3 301.386 3.227 20 10 DGCDHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236994255 202113170 /nfs/dbraw/zinc/11/31/70/202113170.db2.gz RAFXTGJTBSUHOB-YJBOKZPZSA-N 0 3 317.477 3.009 20 10 DGCDHN O=C(Nc1ccccc1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179558222 432063404 /nfs/dbraw/zinc/06/34/04/432063404.db2.gz IBOJJLRIFFYKJB-UHFFFAOYSA-N 0 3 310.397 3.243 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741362 432069573 /nfs/dbraw/zinc/06/95/73/432069573.db2.gz ZXEORONOVQKAMQ-CQSZACIVSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741362 432069575 /nfs/dbraw/zinc/06/95/75/432069575.db2.gz ZXEORONOVQKAMQ-CQSZACIVSA-N 0 3 320.433 3.047 20 10 DGCDHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000134621694 432081549 /nfs/dbraw/zinc/08/15/49/432081549.db2.gz ZCVNWMSCMKPDMI-YQQAZPJKSA-N 0 3 318.436 3.404 20 10 DGCDHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)cc1 ZINC000134647705 432082626 /nfs/dbraw/zinc/08/26/26/432082626.db2.gz HHABNARSKCUGAF-SOLBZPMBSA-N 0 3 300.446 3.265 20 10 DGCDHN CCN(CC)c1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246123130 432097494 /nfs/dbraw/zinc/09/74/94/432097494.db2.gz KLOPYCHTQYNVQC-QZTJIDSGSA-N 0 3 320.502 3.239 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCCC1 ZINC000021023340 182261426 /nfs/dbraw/zinc/26/14/26/182261426.db2.gz PLQQWLSOXZWCAK-UHFFFAOYSA-N 0 3 303.233 3.275 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1CNCCC[NH+]1CCCC1 ZINC000021023340 182261428 /nfs/dbraw/zinc/26/14/28/182261428.db2.gz PLQQWLSOXZWCAK-UHFFFAOYSA-N 0 3 303.233 3.275 20 10 DGCDHN CCCOc1ccc(CN[C@@H]2CCCc3c[nH]nc32)c(O)c1 ZINC000268867154 432146012 /nfs/dbraw/zinc/14/60/12/432146012.db2.gz UHERJHNHZCACBK-OAHLLOKOSA-N 0 3 301.390 3.071 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000273386987 130116224 /nfs/dbraw/zinc/11/62/24/130116224.db2.gz JSVCRSXJYIQCBU-GOEBONIOSA-N 0 3 317.404 3.342 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273437593 130121856 /nfs/dbraw/zinc/12/18/56/130121856.db2.gz XNPCJOZMIJQNEX-GDBMZVCRSA-N 0 3 317.404 3.342 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000273490332 130128191 /nfs/dbraw/zinc/12/81/91/130128191.db2.gz OBSNIAGUIQUWLM-OAVHHTNSSA-N 0 3 319.376 3.313 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000273513180 130130381 /nfs/dbraw/zinc/13/03/81/130130381.db2.gz SEFOJZSQEYRDAD-BBRMVZONSA-N 0 3 303.377 3.094 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000273621465 130144853 /nfs/dbraw/zinc/14/48/53/130144853.db2.gz ZDWWRKJKRFTZKZ-NHYWBVRUSA-N 0 3 314.385 3.230 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c([O-])c1C ZINC000273621551 130144937 /nfs/dbraw/zinc/14/49/37/130144937.db2.gz ZFKHCPDBBUVTBI-OAHLLOKOSA-N 0 3 322.412 3.441 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(C3CCC3)CC2)c1[O-] ZINC000273721462 130157775 /nfs/dbraw/zinc/15/77/75/130157775.db2.gz IMEGLKRGRHCMJD-UHFFFAOYSA-N 0 3 324.852 3.161 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CCO)c1[O-] ZINC000275346226 130309006 /nfs/dbraw/zinc/30/90/06/130309006.db2.gz PSMOSFVAZFJOGW-ONGXEEELSA-N 0 3 316.239 3.132 20 10 DGCDHN CCOc1cccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1O ZINC000277172835 130587936 /nfs/dbraw/zinc/58/79/36/130587936.db2.gz HXDAKGSNNFGYMG-NWDGAFQWSA-N 0 3 318.421 3.273 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCOC2CCOCC2)c([O-])c1 ZINC000284946516 131125449 /nfs/dbraw/zinc/12/54/49/131125449.db2.gz DZBACFUZWBLCJN-OAHLLOKOSA-N 0 3 307.434 3.245 20 10 DGCDHN COCCCOc1ccc(C[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000285368472 131161313 /nfs/dbraw/zinc/16/13/13/131161313.db2.gz AVIQYYBMRWKSDV-UHFFFAOYSA-N 0 3 315.413 3.406 20 10 DGCDHN CCC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000289244855 131369017 /nfs/dbraw/zinc/36/90/17/131369017.db2.gz AXSVJKSTERDWSP-QGZVFWFLSA-N 0 3 305.418 3.133 20 10 DGCDHN CCC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000289244855 131369018 /nfs/dbraw/zinc/36/90/18/131369018.db2.gz AXSVJKSTERDWSP-QGZVFWFLSA-N 0 3 305.418 3.133 20 10 DGCDHN COC(=O)Nc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297376873 132013054 /nfs/dbraw/zinc/01/30/54/132013054.db2.gz QTTZNOJTXQVWLR-OAHLLOKOSA-N 0 3 312.369 3.348 20 10 DGCDHN COc1ccccc1O[C@@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297794795 132034986 /nfs/dbraw/zinc/03/49/86/132034986.db2.gz QBWDNFVCKAGABT-ZFWWWQNUSA-N 0 3 313.397 3.445 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000298575532 132068710 /nfs/dbraw/zinc/06/87/10/132068710.db2.gz RVNMDLOTNURJKD-AWEZNQCLSA-N 0 3 323.440 3.488 20 10 DGCDHN Oc1ccccc1CN(CCC(F)(F)F)C[C@H]1CCCO1 ZINC000072952799 400419095 /nfs/dbraw/zinc/41/90/95/400419095.db2.gz OETDRDFRELJCQN-CYBMUJFWSA-N 0 3 303.324 3.326 20 10 DGCDHN CC[C@@H](NC[C@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000269078463 432152297 /nfs/dbraw/zinc/15/22/97/432152297.db2.gz YWKVLLFEAZSKHO-SJORKVTESA-N 0 3 302.418 3.428 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000269086280 432152397 /nfs/dbraw/zinc/15/23/97/432152397.db2.gz PMZQNXPOMUJZMW-KPOBHBOGSA-N 0 3 310.441 3.452 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000131092134 275061358 /nfs/dbraw/zinc/06/13/58/275061358.db2.gz CXAGUQVBVCYKAE-WMZOPIPTSA-N 0 3 315.438 3.252 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000131092134 275061359 /nfs/dbraw/zinc/06/13/59/275061359.db2.gz CXAGUQVBVCYKAE-WMZOPIPTSA-N 0 3 315.438 3.252 20 10 DGCDHN COc1cccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000186442259 278011401 /nfs/dbraw/zinc/01/14/01/278011401.db2.gz XFAGKODFHNOKOV-IBGZPJMESA-N 0 3 311.381 3.032 20 10 DGCDHN COc1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000186442259 278011402 /nfs/dbraw/zinc/01/14/02/278011402.db2.gz XFAGKODFHNOKOV-IBGZPJMESA-N 0 3 311.381 3.032 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(NC(N)=O)cc1 ZINC000297581038 278284202 /nfs/dbraw/zinc/28/42/02/278284202.db2.gz HCXLWMASWJBAHC-NHYWBVRUSA-N 0 3 311.385 3.221 20 10 DGCDHN CN(C)[C@@H](CNCc1ccc2c(c1)CCO2)c1cccs1 ZINC000037362880 431846208 /nfs/dbraw/zinc/84/62/08/431846208.db2.gz DTKQBYSSKJDKLL-HNNXBMFYSA-N 0 3 302.443 3.076 20 10 DGCDHN Cc1ncc([C@H](C)NCc2ccc3c(c2)CCCN3C)c(C)n1 ZINC000122927043 431848628 /nfs/dbraw/zinc/84/86/28/431848628.db2.gz XJNDNTRVSRXGIL-ZDUSSCGKSA-N 0 3 310.445 3.327 20 10 DGCDHN CCCOc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c([O-])c1 ZINC000093597913 431915610 /nfs/dbraw/zinc/91/56/10/431915610.db2.gz UVEPABHFFXGBBC-MRXNPFEDSA-N 0 3 318.461 3.099 20 10 DGCDHN Cc1ccc([O-])c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000093842425 431917243 /nfs/dbraw/zinc/91/72/43/431917243.db2.gz KKEBCKBJELMLPU-GOSISDBHSA-N 0 3 319.445 3.251 20 10 DGCDHN Cn1cccc1[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000093845536 431918320 /nfs/dbraw/zinc/91/83/20/431918320.db2.gz MRGMPDORPBHZSV-HNNXBMFYSA-N 0 3 314.385 3.187 20 10 DGCDHN Cc1nn(C)cc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000271050814 432323215 /nfs/dbraw/zinc/32/32/15/432323215.db2.gz AHPGNLWAKAXERO-UHFFFAOYSA-N 0 3 300.450 3.205 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192049431 432328179 /nfs/dbraw/zinc/32/81/79/432328179.db2.gz LJXBPTJSVGCWLH-OAHLLOKOSA-N 0 3 303.402 3.090 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192049431 432328183 /nfs/dbraw/zinc/32/81/83/432328183.db2.gz LJXBPTJSVGCWLH-OAHLLOKOSA-N 0 3 303.402 3.090 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000271178328 432346792 /nfs/dbraw/zinc/34/67/92/432346792.db2.gz KITOWADHMVPBKC-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000271178328 432346795 /nfs/dbraw/zinc/34/67/95/432346795.db2.gz KITOWADHMVPBKC-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN CCCOc1ccc(C[NH2+]CCC(=O)OC(C)(C)C)c([O-])c1 ZINC000174434792 432347110 /nfs/dbraw/zinc/34/71/10/432347110.db2.gz UZYJHGGWRRFIDM-UHFFFAOYSA-N 0 3 309.406 3.002 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000183631373 432311936 /nfs/dbraw/zinc/31/19/36/432311936.db2.gz LKKIGOQOWIENGB-RDJZCZTQSA-N 0 3 324.424 3.092 20 10 DGCDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000184292383 432376236 /nfs/dbraw/zinc/37/62/36/432376236.db2.gz WSQMBPDCSKALRN-LRAJWGHMSA-N 0 3 308.491 3.095 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000271952786 432431612 /nfs/dbraw/zinc/43/16/12/432431612.db2.gz FATGXXDIXAAZMG-NVXWUHKLSA-N 0 3 307.434 3.474 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c1 ZINC000192952716 432434599 /nfs/dbraw/zinc/43/45/99/432434599.db2.gz LBPHKOZSQDCEKT-RHSMWYFYSA-N 0 3 306.450 3.172 20 10 DGCDHN COCc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000184941942 432446923 /nfs/dbraw/zinc/44/69/23/432446923.db2.gz JXNRIGZWBLJVDI-CYBMUJFWSA-N 0 3 301.386 3.398 20 10 DGCDHN Cc1ccncc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000271501188 432408201 /nfs/dbraw/zinc/40/82/01/432408201.db2.gz NYPLYXRERBWNHV-MRXNPFEDSA-N 0 3 311.429 3.077 20 10 DGCDHN Cc1ccncc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000271501185 432408724 /nfs/dbraw/zinc/40/87/24/432408724.db2.gz NYPLYXRERBWNHV-INIZCTEOSA-N 0 3 311.429 3.077 20 10 DGCDHN COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000271539111 432418480 /nfs/dbraw/zinc/41/84/80/432418480.db2.gz PFHBEBZOBYJCCA-UGSOOPFHSA-N 0 3 301.386 3.267 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1[O-] ZINC000184684159 432421124 /nfs/dbraw/zinc/42/11/24/432421124.db2.gz CCSZNJYNQSWCPV-OAHLLOKOSA-N 0 3 324.852 3.114 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c1 ZINC000185351687 432493779 /nfs/dbraw/zinc/49/37/79/432493779.db2.gz KWUXTIZIGNFHSQ-STQMWFEESA-N 0 3 301.386 3.388 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000185442789 432500015 /nfs/dbraw/zinc/50/00/15/432500015.db2.gz SYNYKVOKXCHIJW-YPMHNXCESA-N 0 3 324.396 3.191 20 10 DGCDHN C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000185475506 432503481 /nfs/dbraw/zinc/50/34/81/432503481.db2.gz HJKDITBZTMCCCR-XMHCIUCPSA-N 0 3 323.502 3.469 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(OC)c2OC)c1 ZINC000185076900 432463608 /nfs/dbraw/zinc/46/36/08/432463608.db2.gz DALCXVLAWCHSQB-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1[O-] ZINC000186097536 432559178 /nfs/dbraw/zinc/55/91/78/432559178.db2.gz JIZSCQXDBJOFEL-GOSISDBHSA-N 0 3 322.412 3.273 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCOc2ncccc2Cl)c([O-])c1 ZINC000186107211 432559425 /nfs/dbraw/zinc/55/94/25/432559425.db2.gz RKEYMSVOAXRHQY-LBPRGKRZSA-N 0 3 306.793 3.479 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136202 432562383 /nfs/dbraw/zinc/56/23/83/432562383.db2.gz IXMSDKDPYGHRFX-JJRVBVJISA-N 0 3 307.459 3.406 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1[O-] ZINC000186136997 432562452 /nfs/dbraw/zinc/56/24/52/432562452.db2.gz ROJDQMRYXHRTCR-AXAPSJFSSA-N 0 3 311.422 3.237 20 10 DGCDHN CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000185658153 432521070 /nfs/dbraw/zinc/52/10/70/432521070.db2.gz IWIUOZRMGAAOGR-BBLNCHDKSA-N 0 3 313.438 3.262 20 10 DGCDHN COc1ccc(COCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185861557 432539397 /nfs/dbraw/zinc/53/93/97/432539397.db2.gz KLQZCXPUDYCLJS-ZDUSSCGKSA-N 0 3 319.376 3.407 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000186189631 432566590 /nfs/dbraw/zinc/56/65/90/432566590.db2.gz VCUVUZQKDDLAOO-UGSOOPFHSA-N 0 3 303.377 3.398 20 10 DGCDHN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273466072 432602812 /nfs/dbraw/zinc/60/28/12/432602812.db2.gz DSVSUGPATZEJIS-MNOVXSKESA-N 0 3 315.255 3.146 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1[O-] ZINC000186919307 432636652 /nfs/dbraw/zinc/63/66/52/432636652.db2.gz NPAOWVWPSMTAEQ-JQWIXIFHSA-N 0 3 314.223 3.293 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)cc1OC ZINC000274325332 432652960 /nfs/dbraw/zinc/65/29/60/432652960.db2.gz DQZOZBWFXOQXLW-SJORKVTESA-N 0 3 323.433 3.091 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2)cc1 ZINC000178181695 432703949 /nfs/dbraw/zinc/70/39/49/432703949.db2.gz DGOGNJPQDXVXOS-CQSZACIVSA-N 0 3 311.429 3.092 20 10 DGCDHN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000227690844 432713542 /nfs/dbraw/zinc/71/35/42/432713542.db2.gz HVUCFUWKVILIKU-GHMZBOCLSA-N 0 3 312.385 3.095 20 10 DGCDHN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000227690827 432714322 /nfs/dbraw/zinc/71/43/22/432714322.db2.gz HVUCFUWKVILIKU-QWRGUYRKSA-N 0 3 312.385 3.095 20 10 DGCDHN COCC1=CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000187617364 432672547 /nfs/dbraw/zinc/67/25/47/432672547.db2.gz BGKDHKQOKSAWJB-UHFFFAOYSA-N 0 3 300.446 3.455 20 10 DGCDHN Cc1cccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1[O-] ZINC000224893536 432684908 /nfs/dbraw/zinc/68/49/08/432684908.db2.gz OLWKFSXROIFNKF-UHFFFAOYSA-N 0 3 308.422 3.094 20 10 DGCDHN Cc1ccc(O)c(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276164495 432777779 /nfs/dbraw/zinc/77/77/79/432777779.db2.gz HMWUTNSIXXCFGA-QGZVFWFLSA-N 0 3 316.445 3.114 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276164495 432777784 /nfs/dbraw/zinc/77/77/84/432777784.db2.gz HMWUTNSIXXCFGA-QGZVFWFLSA-N 0 3 316.445 3.114 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]C2CC(F)(F)C2)c1[O-] ZINC000277304477 432836502 /nfs/dbraw/zinc/83/65/02/432836502.db2.gz BHLOSZLFLQQFOX-UHFFFAOYSA-N 0 3 306.150 3.350 20 10 DGCDHN C[C@@H](NCCC(C)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000296639316 432924210 /nfs/dbraw/zinc/92/42/10/432924210.db2.gz BYYLNYVYLYZGND-GFCCVEGCSA-N 0 3 316.367 3.358 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN(c3nccs3)CC1)CC2 ZINC000296372250 432900940 /nfs/dbraw/zinc/90/09/40/432900940.db2.gz IUGLDVXTDMDXDP-AWEZNQCLSA-N 0 3 315.442 3.095 20 10 DGCDHN CN(C)c1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289641117 432970487 /nfs/dbraw/zinc/97/04/87/432970487.db2.gz SMSMROOPPZMUEQ-QZTJIDSGSA-N 0 3 300.446 3.286 20 10 DGCDHN CC(C)N(CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000289821554 432974007 /nfs/dbraw/zinc/97/40/07/432974007.db2.gz TZAVMKRCWVVQFS-UHFFFAOYSA-N 0 3 304.434 3.005 20 10 DGCDHN COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1O ZINC000289866183 432977331 /nfs/dbraw/zinc/97/73/31/432977331.db2.gz RXQPPLPRJSMJBY-ZDUSSCGKSA-N 0 3 300.402 3.318 20 10 DGCDHN CCC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@H](O)c1ccccc1 ZINC000279635313 432989026 /nfs/dbraw/zinc/98/90/26/432989026.db2.gz IPONGNXJFLOLFD-IEBWSBKVSA-N 0 3 315.413 3.393 20 10 DGCDHN Cc1ccc(O)c(CN[C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000290144793 432999584 /nfs/dbraw/zinc/99/95/84/432999584.db2.gz OGPHHDLXSMVGKA-KRWDZBQOSA-N 0 3 302.393 3.232 20 10 DGCDHN CC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(C)cc1[O-] ZINC000280161121 433008445 /nfs/dbraw/zinc/00/84/45/433008445.db2.gz QQRZMHFJIUYUFT-MRXNPFEDSA-N 0 3 305.418 3.427 20 10 DGCDHN COc1ncccc1CC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000290201861 433011886 /nfs/dbraw/zinc/01/18/86/433011886.db2.gz PFHDQWWTKAXKJH-AWEZNQCLSA-N 0 3 300.402 3.306 20 10 DGCDHN CC[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(C)cc1[O-] ZINC000280207922 433014849 /nfs/dbraw/zinc/01/48/49/433014849.db2.gz TXKWLLOXJFGKOI-MRXNPFEDSA-N 0 3 304.434 3.144 20 10 DGCDHN CC[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(C)cc1[O-] ZINC000280236993 433020511 /nfs/dbraw/zinc/02/05/11/433020511.db2.gz VQDOEZRKKUTYTL-CYBMUJFWSA-N 0 3 304.356 3.235 20 10 DGCDHN Cc1cnn([C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)c1 ZINC000290928687 433209657 /nfs/dbraw/zinc/20/96/57/433209657.db2.gz ORRZCCRNTRDVSL-INIZCTEOSA-N 0 3 307.397 3.497 20 10 DGCDHN Cc1cnn([C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)c1 ZINC000290928687 433209663 /nfs/dbraw/zinc/20/96/63/433209663.db2.gz ORRZCCRNTRDVSL-INIZCTEOSA-N 0 3 307.397 3.497 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000291054121 433217267 /nfs/dbraw/zinc/21/72/67/433217267.db2.gz NUSHYXGROIDLBV-CYBMUJFWSA-N 0 3 318.367 3.287 20 10 DGCDHN CCOc1cccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000290997447 433217507 /nfs/dbraw/zinc/21/75/07/433217507.db2.gz APVCVKMNYHFJHF-WBVHZDCISA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(O)c(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000291542631 433264660 /nfs/dbraw/zinc/26/46/60/433264660.db2.gz LKLVJNYKPSCJCE-SJORKVTESA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000374924769 433313626 /nfs/dbraw/zinc/31/36/26/433313626.db2.gz HGHCOXRWBAHNGL-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN Cc1nn(-c2ccccn2)c(C)c1CN(C)Cc1ccccc1O ZINC000282789472 433632011 /nfs/dbraw/zinc/63/20/11/433632011.db2.gz LTKKXVNGYTZHBS-UHFFFAOYSA-N 0 3 322.412 3.222 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)c([O-])c1 ZINC000283121385 433667833 /nfs/dbraw/zinc/66/78/33/433667833.db2.gz YZVSGELKUDHBFY-INIZCTEOSA-N 0 3 315.417 3.082 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)(C)O ZINC000293659188 433818443 /nfs/dbraw/zinc/81/84/43/433818443.db2.gz NQSDMBHBDNKESB-GFCCVEGCSA-N 0 3 316.239 3.102 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(Br)cc1[O-] ZINC000293714134 433842540 /nfs/dbraw/zinc/84/25/40/433842540.db2.gz PBZZJOZPAABSEJ-WDEREUQCSA-N 0 3 315.255 3.003 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c([O-])c1 ZINC000294067265 433984862 /nfs/dbraw/zinc/98/48/62/433984862.db2.gz YHFXYVRNFBESAI-QGZVFWFLSA-N 0 3 305.418 3.060 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)c([O-])c1 ZINC000294067265 433984878 /nfs/dbraw/zinc/98/48/78/433984878.db2.gz YHFXYVRNFBESAI-QGZVFWFLSA-N 0 3 305.418 3.060 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c([O-])c1 ZINC000294786301 434146430 /nfs/dbraw/zinc/14/64/30/434146430.db2.gz OBHXNXZNSAMBCB-RHSMWYFYSA-N 0 3 308.491 3.097 20 10 DGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCCOCC1 ZINC000363847215 434163385 /nfs/dbraw/zinc/16/33/85/434163385.db2.gz MMCPGTDNVWJRIK-UHFFFAOYSA-N 0 3 313.397 3.194 20 10 DGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCCOCC1 ZINC000363847215 434163396 /nfs/dbraw/zinc/16/33/96/434163396.db2.gz MMCPGTDNVWJRIK-UHFFFAOYSA-N 0 3 313.397 3.194 20 10 DGCDHN Cc1cccc(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000295123950 434212718 /nfs/dbraw/zinc/21/27/18/434212718.db2.gz NRAYTYKDHIZYJH-AWEZNQCLSA-N 0 3 322.449 3.484 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c([O-])c1 ZINC000363861504 434167655 /nfs/dbraw/zinc/16/76/55/434167655.db2.gz WUYTXDXSEVWMEU-AWEZNQCLSA-N 0 3 308.385 3.132 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2[O-])[C@@]12CCCO2 ZINC000364338595 434266057 /nfs/dbraw/zinc/26/60/57/434266057.db2.gz BDAVBMJSUJENQV-OWLYRPNTSA-N 0 3 305.418 3.160 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccccc1Cn1cccn1)CC2 ZINC000296001729 434469657 /nfs/dbraw/zinc/46/96/57/434469657.db2.gz OJPRXVDMDHFNQU-GOSISDBHSA-N 0 3 319.408 3.414 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN(Cc3ccncc3)CC1)CC2 ZINC000296123256 434516580 /nfs/dbraw/zinc/51/65/80/434516580.db2.gz VLIQDSRVMCTMRK-GOSISDBHSA-N 0 3 323.440 3.029 20 10 DGCDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)c([O-])c1 ZINC000366827809 434518250 /nfs/dbraw/zinc/51/82/50/434518250.db2.gz NNVNBARJVAUIJH-UHFFFAOYSA-N 0 3 315.398 3.142 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCc1nc3ccccc3[nH]1)CC2 ZINC000296161357 434527701 /nfs/dbraw/zinc/52/77/01/434527701.db2.gz XHYOWXBUHPZOQT-MRXNPFEDSA-N 0 3 307.397 3.478 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000367687364 434555071 /nfs/dbraw/zinc/55/50/71/434555071.db2.gz QJOVPEISUHOHCS-LSDHHAIUSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000367687364 434555075 /nfs/dbraw/zinc/55/50/75/434555075.db2.gz QJOVPEISUHOHCS-LSDHHAIUSA-N 0 3 305.418 3.039 20 10 DGCDHN Cn1cc(-c2ccccc2C[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000368592451 434577433 /nfs/dbraw/zinc/57/74/33/434577433.db2.gz QFNSWEULCUKFFC-UHFFFAOYSA-N 0 3 311.360 3.222 20 10 DGCDHN COc1cccc([C@@H](C[NH2+]Cc2cc(C)ccc2[O-])OC)c1 ZINC000527736328 435014383 /nfs/dbraw/zinc/01/43/83/435014383.db2.gz KSVAEIHOLINAOM-GOSISDBHSA-N 0 3 301.386 3.187 20 10 DGCDHN CO[C@H](Cc1ccc(F)cc1)C[N@H+](C)Cc1ccccc1[O-] ZINC000528420341 435022787 /nfs/dbraw/zinc/02/27/87/435022787.db2.gz UQMNDRLJPVNTLF-QGZVFWFLSA-N 0 3 303.377 3.221 20 10 DGCDHN CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)Cc1ccccc1[O-] ZINC000528420341 435022790 /nfs/dbraw/zinc/02/27/90/435022790.db2.gz UQMNDRLJPVNTLF-QGZVFWFLSA-N 0 3 303.377 3.221 20 10 DGCDHN Cc1ncsc1/C=C\C(=O)N(CCN(C)C)c1ccccc1 ZINC000492748664 435043865 /nfs/dbraw/zinc/04/38/65/435043865.db2.gz YFBPQIWPBIZKJC-KTKRTIGZSA-N 0 3 315.442 3.060 20 10 DGCDHN CCNC(=O)c1cccc(CN[C@@H](C)c2cc(C)ccc2O)c1 ZINC000185177242 333204950 /nfs/dbraw/zinc/20/49/50/333204950.db2.gz NNPMCMSCINWFKU-AWEZNQCLSA-N 0 3 312.413 3.301 20 10 DGCDHN COc1cc(Cl)cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[O-] ZINC000368043824 336836534 /nfs/dbraw/zinc/83/65/34/336836534.db2.gz QDXOWTXZNOJXMU-IUODEOHRSA-N 0 3 324.852 3.113 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c1 ZINC000185750818 534205361 /nfs/dbraw/zinc/20/53/61/534205361.db2.gz GSKDCHHJHCTYBV-NSHDSACASA-N 0 3 306.793 3.343 20 10 DGCDHN CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000189483323 518799854 /nfs/dbraw/zinc/79/98/54/518799854.db2.gz GQHFNASOWFFEBH-UHFFFAOYSA-N 0 3 318.417 3.049 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)c([O-])c1 ZINC000265819188 520366633 /nfs/dbraw/zinc/36/66/33/520366633.db2.gz XOQMYDWGKQEIRV-QGZVFWFLSA-N 0 3 321.442 3.240 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC2(CCO)CCCC2)c([O-])c1 ZINC000266646770 520366742 /nfs/dbraw/zinc/36/67/42/520366742.db2.gz WLGDBDYOAVSIBX-UHFFFAOYSA-N 0 3 307.434 3.213 20 10 DGCDHN CCN(CC)[C@@H](C[NH2+]Cc1cc(OC)ccc1[O-])c1ccco1 ZINC000181256114 520838397 /nfs/dbraw/zinc/83/83/97/520838397.db2.gz AFELSSTZAVJPBQ-INIZCTEOSA-N 0 3 318.417 3.167 20 10 DGCDHN CCOc1ccc(O)c(CN(C)Cc2ccc(O)c(OC)c2)c1 ZINC000179944988 521143798 /nfs/dbraw/zinc/14/37/98/521143798.db2.gz MWRPUPQMYKZBSD-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000179889643 521358827 /nfs/dbraw/zinc/35/88/27/521358827.db2.gz ZKYRHNUZTVDPSF-OAHLLOKOSA-N 0 3 312.413 3.092 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1[O-] ZINC000156781036 522760694 /nfs/dbraw/zinc/76/06/94/522760694.db2.gz NNRFVIFKOUESMJ-JLJPHGGASA-N 0 3 307.459 3.488 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)C[C@@H](C)c2nccs2)cc1OC ZINC000182849218 522769965 /nfs/dbraw/zinc/76/99/65/522769965.db2.gz AZYLFABWXKRSIU-LLVKDONJSA-N 0 3 322.430 3.101 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)C[C@@H](C)c2nccs2)cc1OC ZINC000182849218 522769976 /nfs/dbraw/zinc/76/99/76/522769976.db2.gz AZYLFABWXKRSIU-LLVKDONJSA-N 0 3 322.430 3.101 20 10 DGCDHN COc1cc(O)c(CN2CCC(OC(C)(C)C)CC2)cc1OC ZINC000160402875 522771583 /nfs/dbraw/zinc/77/15/83/522771583.db2.gz YLJBFWIXEHAYCZ-UHFFFAOYSA-N 0 3 323.433 3.189 20 10 DGCDHN COc1cc(O)c(CN[C@H]2CCCc3occc32)cc1OC ZINC000182801814 522781690 /nfs/dbraw/zinc/78/16/90/522781690.db2.gz XUFFWXKXQHGEGS-ZDUSSCGKSA-N 0 3 303.358 3.170 20 10 DGCDHN CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccccc1[O-] ZINC000155819792 522818993 /nfs/dbraw/zinc/81/89/93/522818993.db2.gz CBMBCFAMFYKTFQ-OAHLLOKOSA-N 0 3 304.434 3.082 20 10 DGCDHN CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000191695395 523443495 /nfs/dbraw/zinc/44/34/95/523443495.db2.gz IHMFFYXGLYTTHS-GJZGRUSLSA-N 0 3 315.413 3.484 20 10 DGCDHN COc1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000159479327 524007457 /nfs/dbraw/zinc/00/74/57/524007457.db2.gz XUXANCBFLNNJLH-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN Cc1cc(Cl)cc(C[NH+]2CCC(n3ccnc3)CC2)c1[O-] ZINC000179903058 524862168 /nfs/dbraw/zinc/86/21/68/524862168.db2.gz QHNSDMUVGLRQCB-UHFFFAOYSA-N 0 3 305.809 3.388 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000160548596 525525526 /nfs/dbraw/zinc/52/55/26/525525526.db2.gz XGINOKLIHLBKJL-JLCFBVMHSA-N 0 3 316.470 3.341 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]C2(C)CCOCC2)c1[O-] ZINC000182654102 526157915 /nfs/dbraw/zinc/15/79/15/526157915.db2.gz OTPASSRXZZSGIL-UHFFFAOYSA-N 0 3 314.223 3.122 20 10 DGCDHN Cc1cncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000189951855 526190997 /nfs/dbraw/zinc/19/09/97/526190997.db2.gz QXWPKUIQNNNPKA-GOSISDBHSA-N 0 3 312.413 3.277 20 10 DGCDHN [O-]c1c(Cl)cccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180766081 526325933 /nfs/dbraw/zinc/32/59/33/526325933.db2.gz FFESWHLGOBAHRX-CXAGYDPISA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1c(Cl)cccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180766081 526325936 /nfs/dbraw/zinc/32/59/36/526325936.db2.gz FFESWHLGOBAHRX-CXAGYDPISA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000238101654 526374176 /nfs/dbraw/zinc/37/41/76/526374176.db2.gz GOTRTPFWQMBYIP-MRXNPFEDSA-N 0 3 300.402 3.302 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000183312599 529207292 /nfs/dbraw/zinc/20/72/92/529207292.db2.gz PTHJQGAVALXIJF-SJORKVTESA-N 0 3 310.397 3.238 20 10 DGCDHN COCCOc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000273361255 536733241 /nfs/dbraw/zinc/73/32/41/536733241.db2.gz DAPHEMKUTZTQFA-CYBMUJFWSA-N 0 3 319.376 3.407 20 10 DGCDHN COCC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000273412446 536808481 /nfs/dbraw/zinc/80/84/81/536808481.db2.gz IAMJDBMOPVHNPS-SWLSCSKDSA-N 0 3 305.374 3.422 20 10 DGCDHN C[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCNC3)C1 ZINC000391411130 546758090 /nfs/dbraw/zinc/75/80/90/546758090.db2.gz OXSGIJWEAYNWBC-AWEZNQCLSA-N 0 3 306.409 3.171 20 10 DGCDHN CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000731865464 574560655 /nfs/dbraw/zinc/56/06/55/574560655.db2.gz KLIIFDCNXFQTBO-UHFFFAOYSA-N 0 3 318.442 3.226 20 10 DGCDHN CCCCCCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000731864458 574560658 /nfs/dbraw/zinc/56/06/58/574560658.db2.gz VQHPWFUROBQBHG-UHFFFAOYSA-N 0 3 319.493 3.223 20 10 DGCDHN CN(C)CCOc1ccc(N(C)C[C@H]2CC2(Cl)Cl)cc1 ZINC000732410671 574573940 /nfs/dbraw/zinc/57/39/40/574573940.db2.gz GGTLVTJWWPTBJD-GFCCVEGCSA-N 0 3 317.260 3.257 20 10 DGCDHN Cc1cc(O)c(CN2CCN(C3CCC3)CC2)cc1C(C)C ZINC000733297618 574613840 /nfs/dbraw/zinc/61/38/40/574613840.db2.gz MBGKUXNVANISRJ-UHFFFAOYSA-N 0 3 302.462 3.494 20 10 DGCDHN CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613227 574632364 /nfs/dbraw/zinc/63/23/64/574632364.db2.gz FYWATBOIXGISTK-SFHVURJKSA-N 0 3 321.461 3.170 20 10 DGCDHN CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613227 574632367 /nfs/dbraw/zinc/63/23/67/574632367.db2.gz FYWATBOIXGISTK-SFHVURJKSA-N 0 3 321.461 3.170 20 10 DGCDHN O=C(/C=C\c1cccnc1)N(CCN1CCCC1)c1ccccc1 ZINC000739650585 574909675 /nfs/dbraw/zinc/90/96/75/574909675.db2.gz WLDUPAGGPCWICS-KHPPLWFESA-N 0 3 321.424 3.224 20 10 DGCDHN Cc1cc(CN[C@@H](C)Cn2cncn2)c(C)n1-c1cccc(C)c1 ZINC000742724805 575015441 /nfs/dbraw/zinc/01/54/41/575015441.db2.gz BGCKAAXQNGISGQ-HNNXBMFYSA-N 0 3 323.444 3.172 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCOC3)C1)CCC2 ZINC000747830241 575544866 /nfs/dbraw/zinc/54/48/66/575544866.db2.gz LQOYOAPASUBCRM-DLBZAZTESA-N 0 3 301.430 3.129 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCOC3)C1)CCC2 ZINC000747830241 575544869 /nfs/dbraw/zinc/54/48/69/575544869.db2.gz LQOYOAPASUBCRM-DLBZAZTESA-N 0 3 301.430 3.129 20 10 DGCDHN CCOc1cccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000748245622 575574939 /nfs/dbraw/zinc/57/49/39/575574939.db2.gz BZAPNEICTDJEJS-QGZVFWFLSA-N 0 3 317.433 3.401 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c([O-])c1 ZINC000749114604 575627676 /nfs/dbraw/zinc/62/76/76/575627676.db2.gz FTKZPNAQOYUZHN-SGTLLEGYSA-N 0 3 319.376 3.142 20 10 DGCDHN COC(=O)/C(C)=C\CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000749115916 575628345 /nfs/dbraw/zinc/62/83/45/575628345.db2.gz MAOOXNDIEXIBSU-PTNGSMBKSA-N 0 3 304.434 3.082 20 10 DGCDHN CC[C@@H](C)CN(CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749116379 575628476 /nfs/dbraw/zinc/62/84/76/575628476.db2.gz OMNRLJRXYJPVPI-MRXNPFEDSA-N 0 3 319.493 3.079 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](C)N(C)C ZINC000749571549 575665702 /nfs/dbraw/zinc/66/57/02/575665702.db2.gz YKHFQBIYTKNDRT-INIZCTEOSA-N 0 3 313.445 3.082 20 10 DGCDHN CC(C)(C)c1cc(O)c([O-])c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000749799944 575679407 /nfs/dbraw/zinc/67/94/07/575679407.db2.gz PZUYCYIFTWIBMD-ZIAGYGMSSA-N 0 3 319.445 3.254 20 10 DGCDHN CC(C)(C)c1cc(O)c([O-])c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000749799944 575679410 /nfs/dbraw/zinc/67/94/10/575679410.db2.gz PZUYCYIFTWIBMD-ZIAGYGMSSA-N 0 3 319.445 3.254 20 10 DGCDHN CCCN(CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccccc1O ZINC000750875756 575757147 /nfs/dbraw/zinc/75/71/47/575757147.db2.gz WOVCVRKWHALITP-WBVHZDCISA-N 0 3 318.461 3.299 20 10 DGCDHN CCCN(CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccccc1O ZINC000750875754 575757150 /nfs/dbraw/zinc/75/71/50/575757150.db2.gz WOVCVRKWHALITP-NVXWUHKLSA-N 0 3 318.461 3.299 20 10 DGCDHN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000751605004 575793238 /nfs/dbraw/zinc/79/32/38/575793238.db2.gz NTJJEGMGRFCIRP-CZUORRHYSA-N 0 3 311.381 3.499 20 10 DGCDHN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000751605004 575793241 /nfs/dbraw/zinc/79/32/41/575793241.db2.gz NTJJEGMGRFCIRP-CZUORRHYSA-N 0 3 311.381 3.499 20 10 DGCDHN Cc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000725780404 575912432 /nfs/dbraw/zinc/91/24/32/575912432.db2.gz UMADJSAQFSPHND-CQSZACIVSA-N 0 3 311.381 3.419 20 10 DGCDHN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000725780404 575912435 /nfs/dbraw/zinc/91/24/35/575912435.db2.gz UMADJSAQFSPHND-CQSZACIVSA-N 0 3 311.381 3.419 20 10 DGCDHN O=C(CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])NC1CC1 ZINC000725846205 575928705 /nfs/dbraw/zinc/92/87/05/575928705.db2.gz XFOJIKJMHKQUOD-UHFFFAOYSA-N 0 3 324.424 3.208 20 10 DGCDHN CC[C@H](COC)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738438960 576129666 /nfs/dbraw/zinc/12/96/66/576129666.db2.gz HANMYUXBFLVNEY-OAHLLOKOSA-N 0 3 321.421 3.100 20 10 DGCDHN COc1cc(C)cc(CN2CC3(CCCC3)OC[C@H]2C)c1O ZINC000853577862 620711869 /nfs/dbraw/zinc/71/18/69/620711869.db2.gz LUKJDRJJEZHAQR-CQSZACIVSA-N 0 3 305.418 3.243 20 10 DGCDHN COc1ccc(C[N@H+](C)CCc2ccc(F)cc2)c([O-])c1OC ZINC000891742904 617887201 /nfs/dbraw/zinc/88/72/01/617887201.db2.gz GOJILPSVNBBEII-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)c([O-])c1OC ZINC000891742904 617887205 /nfs/dbraw/zinc/88/72/05/617887205.db2.gz GOJILPSVNBBEII-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1ccc(C)cc1CNCc1ccc(OC)c(OC)c1O ZINC000892505023 618086424 /nfs/dbraw/zinc/08/64/24/618086424.db2.gz IRQIFHCGGVDDPV-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cn(CC)nc2C)cc1 ZINC000892614112 618119302 /nfs/dbraw/zinc/11/93/02/618119302.db2.gz FDSDUCIMGVMUEG-UHFFFAOYSA-N 0 3 300.450 3.347 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2c1c(F)ccc2[O-] ZINC000840886656 618129330 /nfs/dbraw/zinc/12/93/30/618129330.db2.gz KQHXSBSUPMVGRN-APKCBFJXSA-N 0 3 315.335 3.218 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1nccn1C ZINC000840894446 618337571 /nfs/dbraw/zinc/33/75/71/618337571.db2.gz RNZAYKYOJDFWHE-CABCVRRESA-N 0 3 300.450 3.076 20 10 DGCDHN COc1cccc(CNCc2cn(C)nc2C2CCCC2)c1O ZINC000894458928 618340467 /nfs/dbraw/zinc/34/04/67/618340467.db2.gz ZEOOVTSQCRJYKV-UHFFFAOYSA-N 0 3 315.417 3.082 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC(C)(C)CO2)c1[O-] ZINC000895802579 618833690 /nfs/dbraw/zinc/83/36/90/618833690.db2.gz MWENONGQISVJBJ-CYBMUJFWSA-N 0 3 313.825 3.349 20 10 DGCDHN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(C)cc3[O-])C2)n1 ZINC000897040856 619007193 /nfs/dbraw/zinc/00/71/93/619007193.db2.gz AVWXQGFYPGXNTO-GXTWGEPZSA-N 0 3 301.390 3.072 20 10 DGCDHN CC[C@H]([NH2+]CCCONC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000897426283 619111207 /nfs/dbraw/zinc/11/12/07/619111207.db2.gz PBKZQBZHOGMPDR-AWEZNQCLSA-N 0 3 324.421 3.279 20 10 DGCDHN CCOc1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)c([O-])c1 ZINC000897973746 619196958 /nfs/dbraw/zinc/19/69/58/619196958.db2.gz YQCLYEJVVWKZHN-UHFFFAOYSA-N 0 3 305.418 3.228 20 10 DGCDHN CCO[C@]12CCC[C@@]1(NCc1ccc(N(C)C)c(F)c1)CCO2 ZINC000897974494 619197057 /nfs/dbraw/zinc/19/70/57/619197057.db2.gz JTUUMLKRGMXGAZ-MSOLQXFVSA-N 0 3 322.424 3.057 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccccc1[O-] ZINC000926923791 619249689 /nfs/dbraw/zinc/24/96/89/619249689.db2.gz YUQHUTXIHLUGKP-GXTWGEPZSA-N 0 3 316.367 3.460 20 10 DGCDHN CC[C@@H](N)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379484 625357038 /nfs/dbraw/zinc/35/70/38/625357038.db2.gz SDFYVCGUSAWJCG-MRXNPFEDSA-N 0 3 313.449 3.035 20 10 DGCDHN C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902478407 619638728 /nfs/dbraw/zinc/63/87/28/619638728.db2.gz WMMMXWPBOXYUQX-IZLWQMGWSA-N 0 3 301.217 3.243 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CC[C@@H]3OC)c2c1 ZINC000902639210 619660364 /nfs/dbraw/zinc/66/03/64/619660364.db2.gz PAKCXDYGFWQKMD-WMZOPIPTSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CC[C@@H]3OC)c2c1 ZINC000902639210 619660365 /nfs/dbraw/zinc/66/03/65/619660365.db2.gz PAKCXDYGFWQKMD-WMZOPIPTSA-N 0 3 301.386 3.163 20 10 DGCDHN CC[C@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(C)cc1O ZINC000903063416 619709055 /nfs/dbraw/zinc/70/90/55/619709055.db2.gz FCGWCXGCYAMJEH-GOEBONIOSA-N 0 3 302.422 3.267 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCONC(=O)OC(C)(C)C)c([O-])c1 ZINC000903239152 619742578 /nfs/dbraw/zinc/74/25/78/619742578.db2.gz JGURTGBDCWBRHV-CYBMUJFWSA-N 0 3 324.421 3.198 20 10 DGCDHN CC[C@@](O)(CCC(F)(F)F)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903256123 619745781 /nfs/dbraw/zinc/74/57/81/619745781.db2.gz HKDSUBPMNTXTAK-SWLSCSKDSA-N 0 3 317.351 3.453 20 10 DGCDHN C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc(F)ccc1[O-] ZINC000903289715 619754839 /nfs/dbraw/zinc/75/48/39/619754839.db2.gz NAPDHLYOWOSLLT-CJNGLKHVSA-N 0 3 303.377 3.176 20 10 DGCDHN CO[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCSC1 ZINC000903314738 619758372 /nfs/dbraw/zinc/75/83/72/619758372.db2.gz PFCQFSMYCOVKDN-SIVJFFJCSA-N 0 3 311.422 3.191 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000903389897 619771011 /nfs/dbraw/zinc/77/10/11/619771011.db2.gz PBFNDRJYBGBFJW-UXIGCNINSA-N 0 3 321.392 3.007 20 10 DGCDHN CN(C)c1ccc(CNCc2cc(N)ccn2)c(C(F)(F)F)c1 ZINC000903954344 619846517 /nfs/dbraw/zinc/84/65/17/619846517.db2.gz QXVVFELBUYPWRO-UHFFFAOYSA-N 0 3 324.350 3.038 20 10 DGCDHN CN1CCCc2cc(CNCc3cccc4[nH]c(=O)oc43)ccc21 ZINC000921624915 620917690 /nfs/dbraw/zinc/91/76/90/620917690.db2.gz GPURPDYCRXQDCJ-UHFFFAOYSA-N 0 3 323.396 3.206 20 10 DGCDHN OCC[C@H](NCc1ccc2c(c1)CCCO2)c1cccs1 ZINC000921771073 620947141 /nfs/dbraw/zinc/94/71/41/620947141.db2.gz PFUXAANGTLIPTJ-HNNXBMFYSA-N 0 3 303.427 3.286 20 10 DGCDHN CCn1ncc2c1CCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921794553 620950378 /nfs/dbraw/zinc/95/03/78/620950378.db2.gz VTQZUDRBMGIWSG-KRWDZBQOSA-N 0 3 311.429 3.395 20 10 DGCDHN CCOc1cccc(CNCc2cc(OC)ccc2F)c1O ZINC000856801212 621023340 /nfs/dbraw/zinc/02/33/40/621023340.db2.gz LZSRDXKZDUBWHR-UHFFFAOYSA-N 0 3 305.349 3.228 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2cc(N(C)C)ccn2)cc1 ZINC000922479926 621044263 /nfs/dbraw/zinc/04/42/63/621044263.db2.gz SRXOECQDNQAJOT-WAYWQWQTSA-N 0 3 310.445 3.017 20 10 DGCDHN CCOc1ccc(C[NH2+]CCc2nc3c(s2)CCC3)c([O-])c1 ZINC000922715457 621088179 /nfs/dbraw/zinc/08/81/79/621088179.db2.gz SMLQHAYTKHPRDP-UHFFFAOYSA-N 0 3 318.442 3.068 20 10 DGCDHN OC[C@H](NCc1ccccc1O)c1ccccc1C(F)(F)F ZINC000922984534 621142369 /nfs/dbraw/zinc/14/23/69/621142369.db2.gz LZSZQGWUKUARNH-AWEZNQCLSA-N 0 3 311.303 3.234 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000922984534 621142370 /nfs/dbraw/zinc/14/23/70/621142370.db2.gz LZSZQGWUKUARNH-AWEZNQCLSA-N 0 3 311.303 3.234 20 10 DGCDHN Cc1ccc([C@H](O)CNCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858105139 621153193 /nfs/dbraw/zinc/15/31/93/621153193.db2.gz KAYDVRKEDDXEDN-GOSISDBHSA-N 0 3 320.383 3.162 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c([O-])c1 ZINC000858211030 621164995 /nfs/dbraw/zinc/16/49/95/621164995.db2.gz CVMKUTFGCLUCOA-SFHVURJKSA-N 0 3 313.397 3.022 20 10 DGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000858543957 621203305 /nfs/dbraw/zinc/20/33/05/621203305.db2.gz QQAGPSZETZRFDS-ZIFCJYIRSA-N 0 3 311.425 3.427 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602556 621209099 /nfs/dbraw/zinc/20/90/99/621209099.db2.gz BVOKXQAFTZPJOO-ABAIWWIYSA-N 0 3 322.836 3.158 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602557 621209202 /nfs/dbraw/zinc/20/92/02/621209202.db2.gz BVOKXQAFTZPJOO-IAQYHMDHSA-N 0 3 322.836 3.158 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c1[O-] ZINC000839182842 621343648 /nfs/dbraw/zinc/34/36/48/621343648.db2.gz QILNZRSRYKPBPO-ZIAGYGMSSA-N 0 3 311.809 3.101 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1cncs1)C[C@@H]1CCCO1 ZINC000839517336 621381146 /nfs/dbraw/zinc/38/11/46/621381146.db2.gz SIHWCBNWYLVYHF-HNNXBMFYSA-N 0 3 318.442 3.072 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1cncs1)C[C@@H]1CCCO1 ZINC000839517336 621381150 /nfs/dbraw/zinc/38/11/50/621381150.db2.gz SIHWCBNWYLVYHF-HNNXBMFYSA-N 0 3 318.442 3.072 20 10 DGCDHN CC(C)(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000753747651 621463042 /nfs/dbraw/zinc/46/30/42/621463042.db2.gz LEKIAJQNHZSEFW-MRXNPFEDSA-N 0 3 319.445 3.379 20 10 DGCDHN CC(C)(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000753747651 621463043 /nfs/dbraw/zinc/46/30/43/621463043.db2.gz LEKIAJQNHZSEFW-MRXNPFEDSA-N 0 3 319.445 3.379 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)[C@H](C)N1CCCCCC1 ZINC000118783725 621560668 /nfs/dbraw/zinc/56/06/68/621560668.db2.gz DFWOXNOCEJWDML-INIZCTEOSA-N 0 3 318.461 3.395 20 10 DGCDHN CCN(CC[NH2+][C@H](C)c1ccccc1[O-])CCC(F)(F)F ZINC000756049875 621612043 /nfs/dbraw/zinc/61/20/43/621612043.db2.gz LBXRQEMYRHKNQB-GFCCVEGCSA-N 0 3 304.356 3.317 20 10 DGCDHN Cc1n[nH]cc1CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756398434 621635655 /nfs/dbraw/zinc/63/56/55/621635655.db2.gz GADXJZYNODZKHP-YGRLFVJLSA-N 0 3 303.381 3.334 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCN2CCC(C)CC2)c2c1c(F)ccc2[O-] ZINC000756412953 621636919 /nfs/dbraw/zinc/63/69/19/621636919.db2.gz WMNGUPHMIWKGCM-ZFWWWQNUSA-N 0 3 306.425 3.401 20 10 DGCDHN C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CN1CCCCC1 ZINC000756435030 621638184 /nfs/dbraw/zinc/63/81/84/621638184.db2.gz SXCLZDLLVZQCQL-CHWSQXEVSA-N 0 3 312.404 3.443 20 10 DGCDHN C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000756480570 621640786 /nfs/dbraw/zinc/64/07/86/621640786.db2.gz RYUCTRATTYIORA-ZDUSSCGKSA-N 0 3 300.377 3.198 20 10 DGCDHN C[C@@H]([NH2+]CCN1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000756484425 621641234 /nfs/dbraw/zinc/64/12/34/621641234.db2.gz XIWKKFGACXCRHJ-CYBMUJFWSA-N 0 3 300.377 3.245 20 10 DGCDHN C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756495865 621642023 /nfs/dbraw/zinc/64/20/23/621642023.db2.gz SQQSVZFFSGZCMC-MISXGVKJSA-N 0 3 301.365 3.090 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756584854 621651236 /nfs/dbraw/zinc/65/12/36/621651236.db2.gz HDTJTWQPBFDWFW-NILFDRSVSA-N 0 3 301.361 3.403 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756586273 621651358 /nfs/dbraw/zinc/65/13/58/621651358.db2.gz QDPRQKHYKWTPDS-XNRPHZJLSA-N 0 3 315.388 3.273 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756640103 621655153 /nfs/dbraw/zinc/65/51/53/621655153.db2.gz IRUPUQUBAOJXII-YXMPFFBPSA-N 0 3 304.409 3.294 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c([O-])c1 ZINC000756742133 621661728 /nfs/dbraw/zinc/66/17/28/621661728.db2.gz ZJMHBJHTSLYUFN-MEDUHNTESA-N 0 3 307.340 3.363 20 10 DGCDHN Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)[nH]n1 ZINC000756764332 621663001 /nfs/dbraw/zinc/66/30/01/621663001.db2.gz GGSHYFICUVYOAF-ISTVAULSSA-N 0 3 303.381 3.332 20 10 DGCDHN Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)n[nH]1 ZINC000756764332 621663005 /nfs/dbraw/zinc/66/30/05/621663005.db2.gz GGSHYFICUVYOAF-ISTVAULSSA-N 0 3 303.381 3.332 20 10 DGCDHN COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])C2 ZINC000756776241 621664004 /nfs/dbraw/zinc/66/40/04/621664004.db2.gz XISLTPULYXWZOF-ZFWWWQNUSA-N 0 3 313.397 3.364 20 10 DGCDHN CC(=O)N1CC[C@H](NCc2ccc(N(C)C)cc2)c2ccccc21 ZINC000757000997 621678228 /nfs/dbraw/zinc/67/82/28/621678228.db2.gz CXYSAXPYEMOGFM-IBGZPJMESA-N 0 3 323.440 3.340 20 10 DGCDHN COc1cncc(CNCc2ccc3c(c2)CCCN3C)c1C ZINC000865437128 621921081 /nfs/dbraw/zinc/92/10/81/621921081.db2.gz AQGMVMYGJGDCBZ-UHFFFAOYSA-N 0 3 311.429 3.071 20 10 DGCDHN CCOc1cc(F)cc(CNCc2cc(OC)ccc2O)c1 ZINC000865463817 621927003 /nfs/dbraw/zinc/92/70/03/621927003.db2.gz OBTWIDMNVSMMBC-UHFFFAOYSA-N 0 3 305.349 3.228 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000865653961 621972151 /nfs/dbraw/zinc/97/21/51/621972151.db2.gz JSFSSTUXPPFMJR-AWEZNQCLSA-N 0 3 311.303 3.234 20 10 DGCDHN OC[C@H](NCc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000865653961 621972154 /nfs/dbraw/zinc/97/21/54/621972154.db2.gz JSFSSTUXPPFMJR-AWEZNQCLSA-N 0 3 311.303 3.234 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccncc2)c1[O-] ZINC000761207828 621994139 /nfs/dbraw/zinc/99/41/39/621994139.db2.gz TWDRDRXOTMLUBX-LLVKDONJSA-N 0 3 306.793 3.170 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccccc1[O-] ZINC000866422214 622115212 /nfs/dbraw/zinc/11/52/12/622115212.db2.gz LKAMVYGYDGVVBX-CQSZACIVSA-N 0 3 313.397 3.463 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)c([O-])c1 ZINC000866426806 622116221 /nfs/dbraw/zinc/11/62/21/622116221.db2.gz DWUCGZAOONZHGV-DZGCQCFKSA-N 0 3 307.434 3.449 20 10 DGCDHN Cn1cc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c2cccnc21 ZINC000866572596 622141017 /nfs/dbraw/zinc/14/10/17/622141017.db2.gz CPVJBDUWHKDFAC-INIZCTEOSA-N 0 3 307.397 3.099 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1[O-] ZINC000763480555 622147699 /nfs/dbraw/zinc/14/76/99/622147699.db2.gz NYEGESAOXIUJLU-CYBMUJFWSA-N 0 3 319.788 3.017 20 10 DGCDHN Cc1occc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765396848 622262971 /nfs/dbraw/zinc/26/29/71/622262971.db2.gz NIDIEZBXSQHCKH-AWEZNQCLSA-N 0 3 300.402 3.275 20 10 DGCDHN CC[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000122250339 622272843 /nfs/dbraw/zinc/27/28/43/622272843.db2.gz WMVJECOQBFKJLI-GOSISDBHSA-N 0 3 311.429 3.092 20 10 DGCDHN CC[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1CC(F)F ZINC000765718113 622283814 /nfs/dbraw/zinc/28/38/14/622283814.db2.gz WWNITSRGXWPHJG-INIZCTEOSA-N 0 3 324.415 3.042 20 10 DGCDHN CC[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCN1CC(F)F ZINC000765721057 622283981 /nfs/dbraw/zinc/28/39/81/622283981.db2.gz OCXLOMRXMUCUOD-OAHLLOKOSA-N 0 3 312.404 3.170 20 10 DGCDHN CCOc1ccc(C[NH2+]CCN2CCCC(C)(C)C2)c([O-])c1 ZINC000767738792 622419355 /nfs/dbraw/zinc/41/93/55/622419355.db2.gz NQZMOVGDAYMFBM-UHFFFAOYSA-N 0 3 306.450 3.003 20 10 DGCDHN CCN(Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1OC ZINC000768198520 622445127 /nfs/dbraw/zinc/44/51/27/622445127.db2.gz VCGIABQQMBCFJW-UHFFFAOYSA-N 0 3 315.369 3.152 20 10 DGCDHN COc1cccc(O)c1CN(C)CCOc1ccc(F)cc1 ZINC000768211654 622445634 /nfs/dbraw/zinc/44/56/34/622445634.db2.gz ATLIBSRGMNHVGX-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)CCOc1ccc(F)cc1 ZINC000768211654 622445636 /nfs/dbraw/zinc/44/56/36/622445636.db2.gz ATLIBSRGMNHVGX-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000768211654 622445637 /nfs/dbraw/zinc/44/56/37/622445637.db2.gz ATLIBSRGMNHVGX-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCCCC1)[C@H](O)CO2 ZINC000768442516 622455917 /nfs/dbraw/zinc/45/59/17/622455917.db2.gz KWXKAVIJKKJURL-SJLPKXTDSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCCCC1)[C@H](O)CO2 ZINC000768442516 622455920 /nfs/dbraw/zinc/45/59/20/622455920.db2.gz KWXKAVIJKKJURL-SJLPKXTDSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768441436 622456059 /nfs/dbraw/zinc/45/60/59/622456059.db2.gz LNUKAKRRNSFNSB-WMZOPIPTSA-N 0 3 311.381 3.155 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768441436 622456060 /nfs/dbraw/zinc/45/60/60/622456060.db2.gz LNUKAKRRNSFNSB-WMZOPIPTSA-N 0 3 311.381 3.155 20 10 DGCDHN Oc1cc2c(cc1CN1CCOC3(CCCC3)C1)CCCC2 ZINC000768463622 622458248 /nfs/dbraw/zinc/45/82/48/622458248.db2.gz VDBCWNLWFSDUPZ-UHFFFAOYSA-N 0 3 301.430 3.416 20 10 DGCDHN CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463623 622458345 /nfs/dbraw/zinc/45/83/45/622458345.db2.gz KNAQKBBHTFTBLD-WMLDXEAASA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463623 622458347 /nfs/dbraw/zinc/45/83/47/622458347.db2.gz KNAQKBBHTFTBLD-WMLDXEAASA-N 0 3 305.418 3.219 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000769000343 622491321 /nfs/dbraw/zinc/49/13/21/622491321.db2.gz TWDLKHFMVHVNPN-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000769000343 622491323 /nfs/dbraw/zinc/49/13/23/622491323.db2.gz TWDLKHFMVHVNPN-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769103790 622498508 /nfs/dbraw/zinc/49/85/08/622498508.db2.gz SYWKBABLUTZWBP-CQSZACIVSA-N 0 3 303.406 3.427 20 10 DGCDHN CCN(Cc1cc(C)ccc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000769404230 622525120 /nfs/dbraw/zinc/52/51/20/622525120.db2.gz PUVMPZYIWNJMTQ-GOSISDBHSA-N 0 3 324.424 3.328 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000770375003 622626616 /nfs/dbraw/zinc/62/66/16/622626616.db2.gz PPTGMSRIDAEECC-GOEBONIOSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000770375003 622626621 /nfs/dbraw/zinc/62/66/21/622626621.db2.gz PPTGMSRIDAEECC-GOEBONIOSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCOC[C@H]3C)c2c1 ZINC000772819463 622945968 /nfs/dbraw/zinc/94/59/68/622945968.db2.gz CPBMVCICVVAMLZ-CYBMUJFWSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCOC[C@H]3C)c2c1 ZINC000772819463 622945971 /nfs/dbraw/zinc/94/59/71/622945971.db2.gz CPBMVCICVVAMLZ-CYBMUJFWSA-N 0 3 301.386 3.165 20 10 DGCDHN CCCOc1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1C ZINC000873131264 623044026 /nfs/dbraw/zinc/04/40/26/623044026.db2.gz QSIPGTGXSLEOBS-SJORKVTESA-N 0 3 316.445 3.027 20 10 DGCDHN CCCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774483319 623151079 /nfs/dbraw/zinc/15/10/79/623151079.db2.gz JQNTXZDHFDTHIE-LSDHHAIUSA-N 0 3 305.466 3.098 20 10 DGCDHN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000775128388 623234125 /nfs/dbraw/zinc/23/41/25/623234125.db2.gz AQLKTRORXNZVNL-CVEARBPZSA-N 0 3 315.413 3.100 20 10 DGCDHN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000775178232 623238215 /nfs/dbraw/zinc/23/82/15/623238215.db2.gz SLCFGXQOODFFHU-MRXNPFEDSA-N 0 3 313.825 3.181 20 10 DGCDHN CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000775178232 623238219 /nfs/dbraw/zinc/23/82/19/623238219.db2.gz SLCFGXQOODFFHU-MRXNPFEDSA-N 0 3 313.825 3.181 20 10 DGCDHN CC[C@H]([NH2+]CCCN(C)CCOC)c1cc(Cl)ccc1[O-] ZINC000775491622 623279877 /nfs/dbraw/zinc/27/98/77/623279877.db2.gz GFWBLTQLPXPSFH-HNNXBMFYSA-N 0 3 314.857 3.055 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1[O-] ZINC000775522170 623283963 /nfs/dbraw/zinc/28/39/63/623283963.db2.gz LDLBOTKTEMNQIL-GOEBONIOSA-N 0 3 305.418 3.161 20 10 DGCDHN CC[C@@H](N[C@@H](CO)c1ccccc1OC)c1ccccc1O ZINC000775523093 623284186 /nfs/dbraw/zinc/28/41/86/623284186.db2.gz GFSWFPHYXZYEDK-CVEARBPZSA-N 0 3 301.386 3.175 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775632882 623299763 /nfs/dbraw/zinc/29/97/63/623299763.db2.gz CTJZTOWBYYWIQB-GFCCVEGCSA-N 0 3 311.809 3.129 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775632882 623299766 /nfs/dbraw/zinc/29/97/66/623299766.db2.gz CTJZTOWBYYWIQB-GFCCVEGCSA-N 0 3 311.809 3.129 20 10 DGCDHN C[C@H](NCC(=O)NC1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000775830120 623338316 /nfs/dbraw/zinc/33/83/16/623338316.db2.gz DAHRQWDANSLZJR-HNNXBMFYSA-N 0 3 317.477 3.242 20 10 DGCDHN CC[C@@H]1CCCCN1C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834183 623339666 /nfs/dbraw/zinc/33/96/66/623339666.db2.gz LFXOAGOETXMLMT-DOTOQJQBSA-N 0 3 317.477 3.194 20 10 DGCDHN CO[C@@](C)(C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CC1 ZINC000876531849 623635216 /nfs/dbraw/zinc/63/52/16/623635216.db2.gz RCAYMRIUNFIJIX-HKUYNNGSSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@@](C)(C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CC1 ZINC000876531849 623635222 /nfs/dbraw/zinc/63/52/22/623635222.db2.gz RCAYMRIUNFIJIX-HKUYNNGSSA-N 0 3 319.445 3.188 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c([O-])c1 ZINC000876549302 623640582 /nfs/dbraw/zinc/64/05/82/623640582.db2.gz ALHNUOCCIDCUPP-UHFFFAOYSA-N 0 3 322.412 3.123 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876658286 623672504 /nfs/dbraw/zinc/67/25/04/623672504.db2.gz RRQAOKASFWLAEY-HOTGVXAUSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876658286 623672506 /nfs/dbraw/zinc/67/25/06/623672506.db2.gz RRQAOKASFWLAEY-HOTGVXAUSA-N 0 3 318.461 3.217 20 10 DGCDHN Cc1cccc(O)c1CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000876773862 623702422 /nfs/dbraw/zinc/70/24/22/623702422.db2.gz XILKAYGBHVIZIU-NRFANRHFSA-N 0 3 303.427 3.070 20 10 DGCDHN COC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779001425 623719591 /nfs/dbraw/zinc/71/95/91/623719591.db2.gz RQKQAEAJMKKXLA-ZJUUUORDSA-N 0 3 302.212 3.149 20 10 DGCDHN Cc1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c([O-])c1 ZINC000876920356 623744166 /nfs/dbraw/zinc/74/41/66/623744166.db2.gz OUVDZVXFYWTCOS-UHFFFAOYSA-N 0 3 324.468 3.497 20 10 DGCDHN CN(C(=O)c1cccc(CN2CCCC2)c1)c1ccc(N)cc1 ZINC000877077465 623786072 /nfs/dbraw/zinc/78/60/72/623786072.db2.gz JGIASQDCJUFBFH-UHFFFAOYSA-N 0 3 309.413 3.141 20 10 DGCDHN COc1c(C)cnc(CN(C)Cc2ccc(C)cc2O)c1C ZINC000877319609 623850827 /nfs/dbraw/zinc/85/08/27/623850827.db2.gz CSXFNFBSKCMSFD-UHFFFAOYSA-N 0 3 300.402 3.353 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000877460263 623893318 /nfs/dbraw/zinc/89/33/18/623893318.db2.gz RZOICYULMLINGS-SWLSCSKDSA-N 0 3 317.351 3.274 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000877460261 623893418 /nfs/dbraw/zinc/89/34/18/623893418.db2.gz RZOICYULMLINGS-DOMZBBRYSA-N 0 3 317.351 3.274 20 10 DGCDHN COc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000877494250 623911080 /nfs/dbraw/zinc/91/10/80/623911080.db2.gz VNUBFYZVMRBQOO-UHFFFAOYSA-N 0 3 316.357 3.216 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000877494740 623911273 /nfs/dbraw/zinc/91/12/73/623911273.db2.gz SMVMNZPHRFKSGF-MRXNPFEDSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000877494740 623911277 /nfs/dbraw/zinc/91/12/77/623911277.db2.gz SMVMNZPHRFKSGF-MRXNPFEDSA-N 0 3 324.424 3.186 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2cnc(C)nc2C)c1 ZINC000877532041 623926962 /nfs/dbraw/zinc/92/69/62/623926962.db2.gz BYHHNRNRMUCTNS-GHMZBOCLSA-N 0 3 301.390 3.219 20 10 DGCDHN Cc1ccc(CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(O)c1 ZINC000877589769 623953473 /nfs/dbraw/zinc/95/34/73/623953473.db2.gz RDIIBTHFQUWWSO-FQEVSTJZSA-N 0 3 323.392 3.311 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000877592356 623954802 /nfs/dbraw/zinc/95/48/02/623954802.db2.gz GKJZIEUFARAXPB-OAHLLOKOSA-N 0 3 300.377 3.208 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000780781256 623982765 /nfs/dbraw/zinc/98/27/65/623982765.db2.gz IWVZTFDVQZWLBV-UHFFFAOYSA-N 0 3 323.392 3.453 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000780781256 623982774 /nfs/dbraw/zinc/98/27/74/623982774.db2.gz IWVZTFDVQZWLBV-UHFFFAOYSA-N 0 3 323.392 3.453 20 10 DGCDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cc2c(cc1O)OCO2 ZINC000780791970 623985714 /nfs/dbraw/zinc/98/57/14/623985714.db2.gz DMDWHDPCIYZJJD-KOLCDFICSA-N 0 3 317.307 3.284 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672646 623987166 /nfs/dbraw/zinc/98/71/66/623987166.db2.gz JOWUOEWHJZDJLD-IRXDYDNUSA-N 0 3 301.361 3.229 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672646 623987170 /nfs/dbraw/zinc/98/71/70/623987170.db2.gz JOWUOEWHJZDJLD-IRXDYDNUSA-N 0 3 301.361 3.229 20 10 DGCDHN FCCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000877673261 623987446 /nfs/dbraw/zinc/98/74/46/623987446.db2.gz FBYORWLPGSJISK-UHFFFAOYSA-N 0 3 324.415 3.234 20 10 DGCDHN CC(C)COC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000877756244 624022874 /nfs/dbraw/zinc/02/28/74/624022874.db2.gz AMDOMSIHQGFCFO-CQSZACIVSA-N 0 3 320.433 3.300 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1[O-] ZINC000877758027 624024085 /nfs/dbraw/zinc/02/40/85/624024085.db2.gz DPIPZUCPRRTANS-YOEHRIQHSA-N 0 3 313.397 3.411 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccnn2C)c1[O-] ZINC000877762686 624025728 /nfs/dbraw/zinc/02/57/28/624025728.db2.gz IRQNRZVGVTUDCT-SNVBAGLBSA-N 0 3 324.222 3.047 20 10 DGCDHN CCc1cccc(CN2CCO[C@@H](C(F)(F)F)CC2)c1O ZINC000877821160 624051125 /nfs/dbraw/zinc/05/11/25/624051125.db2.gz LFEQKDKXLYDYQF-CYBMUJFWSA-N 0 3 303.324 3.108 20 10 DGCDHN Cc1ccc(CN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c(O)c1 ZINC000877820322 624051147 /nfs/dbraw/zinc/05/11/47/624051147.db2.gz HDYSWXFOJDGFGE-RISCZKNCSA-N 0 3 303.324 3.242 20 10 DGCDHN Cc1ccc(O)c(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000877825392 624058378 /nfs/dbraw/zinc/05/83/78/624058378.db2.gz ZLCYKFPBEHERSJ-SMDDNHRTSA-N 0 3 303.324 3.242 20 10 DGCDHN C[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000783519760 624361124 /nfs/dbraw/zinc/36/11/24/624361124.db2.gz SVCFOHYAPRXAAY-CQSZACIVSA-N 0 3 313.397 3.447 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c([O-])c1 ZINC000783597389 624373307 /nfs/dbraw/zinc/37/33/07/624373307.db2.gz MOXKDEHUHGHHKC-MRXNPFEDSA-N 0 3 312.413 3.251 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c([O-])c1 ZINC000783597389 624373309 /nfs/dbraw/zinc/37/33/09/624373309.db2.gz MOXKDEHUHGHHKC-MRXNPFEDSA-N 0 3 312.413 3.251 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](CCOC)Cc2ccco2)c([O-])c1 ZINC000784626295 624561939 /nfs/dbraw/zinc/56/19/39/624561939.db2.gz YNYSRIBOJVSOOP-OAHLLOKOSA-N 0 3 319.401 3.121 20 10 DGCDHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647706 624621497 /nfs/dbraw/zinc/62/14/97/624621497.db2.gz ITBYCNKAXDQJPK-RBSFLKMASA-N 0 3 304.434 3.222 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879647893 624621549 /nfs/dbraw/zinc/62/15/49/624621549.db2.gz PITCEMCBUKOSQC-NYTXWWLZSA-N 0 3 304.434 3.126 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000879648719 624621571 /nfs/dbraw/zinc/62/15/71/624621571.db2.gz ASEAHWLHCRWWMA-RBSFLKMASA-N 0 3 324.424 3.409 20 10 DGCDHN C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000879648783 624623093 /nfs/dbraw/zinc/62/30/93/624623093.db2.gz DQLWMFPMGKQPOV-CYBMUJFWSA-N 0 3 315.369 3.241 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCCc2ccccc21 ZINC000879649720 624623174 /nfs/dbraw/zinc/62/31/74/624623174.db2.gz SWXCBDMROIEUPZ-HUUCEWRRSA-N 0 3 324.424 3.411 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1[O-] ZINC000879653756 624626820 /nfs/dbraw/zinc/62/68/20/624626820.db2.gz WFZCLIXRWVWLAS-KBPBESRZSA-N 0 3 310.397 3.021 20 10 DGCDHN CCn1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c1=O ZINC000788605649 625225523 /nfs/dbraw/zinc/22/55/23/625225523.db2.gz BBEUQAHKRWOLMV-SMDDNHRTSA-N 0 3 316.376 3.051 20 10 DGCDHN CCOC(=O)C1(C[NH2+]Cc2ccc(OCC)cc2[O-])CCCC1 ZINC000792194358 625923897 /nfs/dbraw/zinc/92/38/97/625923897.db2.gz BRSOCPOOJHIQTQ-UHFFFAOYSA-N 0 3 321.417 3.004 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000800527857 626366423 /nfs/dbraw/zinc/36/64/23/626366423.db2.gz DNLPYFAJIGFERD-UHFFFAOYSA-N 0 3 308.425 3.419 20 10 DGCDHN CSC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699077 626372214 /nfs/dbraw/zinc/37/22/14/626372214.db2.gz RUPPEZVXRMFNNO-PWSUYJOCSA-N 0 3 303.855 3.119 20 10 DGCDHN CCCC[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1[O-] ZINC000801598378 626411823 /nfs/dbraw/zinc/41/18/23/626411823.db2.gz YMGAEVVRTFLLSC-INIZCTEOSA-N 0 3 318.461 3.395 20 10 DGCDHN CCCC[N@@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1[O-] ZINC000801598378 626411824 /nfs/dbraw/zinc/41/18/24/626411824.db2.gz YMGAEVVRTFLLSC-INIZCTEOSA-N 0 3 318.461 3.395 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1[O-] ZINC000883263076 626628758 /nfs/dbraw/zinc/62/87/58/626628758.db2.gz GEFWILZLKFFQBX-ZFWWWQNUSA-N 0 3 323.408 3.158 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c([O-])c1 ZINC000808444553 626825676 /nfs/dbraw/zinc/82/56/76/626825676.db2.gz IJUDLJLZXOKHTA-UGSOOPFHSA-N 0 3 301.386 3.003 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCc2cnn(C)c2)c1[O-] ZINC000808689790 626849459 /nfs/dbraw/zinc/84/94/59/626849459.db2.gz GGRBWTLAXMYLAZ-GFCCVEGCSA-N 0 3 307.825 3.371 20 10 DGCDHN COC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])[C@@H]1CCCO1 ZINC000808715493 626852976 /nfs/dbraw/zinc/85/29/76/626852976.db2.gz GWRHXEQGHZJMGA-CQDKDKBSSA-N 0 3 313.825 3.199 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c([O-])c1 ZINC000808729423 626854898 /nfs/dbraw/zinc/85/48/98/626854898.db2.gz JOCFFKFSUHESMU-DOMZBBRYSA-N 0 3 301.361 3.494 20 10 DGCDHN COc1cccc(CNCc2cc3ccccc3nc2OC)c1O ZINC000809740395 626944591 /nfs/dbraw/zinc/94/45/91/626944591.db2.gz XPEQNTXGLVULCG-UHFFFAOYSA-N 0 3 324.380 3.247 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1[O-] ZINC000810254765 626992991 /nfs/dbraw/zinc/99/29/91/626992991.db2.gz RATAAMQJJXUWJW-DGCLKSJQSA-N 0 3 305.809 3.367 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Cl)ccc1[O-] ZINC000810254765 626992995 /nfs/dbraw/zinc/99/29/95/626992995.db2.gz RATAAMQJJXUWJW-DGCLKSJQSA-N 0 3 305.809 3.367 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1ccccc1[O-] ZINC000886675225 627186943 /nfs/dbraw/zinc/18/69/43/627186943.db2.gz YQQSOXBYNWJBCO-WMLDXEAASA-N 0 3 303.377 3.176 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1ccccc1[O-] ZINC000886675226 627186966 /nfs/dbraw/zinc/18/69/66/627186966.db2.gz YQQSOXBYNWJBCO-YOEHRIQHSA-N 0 3 303.377 3.176 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1ccccc1[O-] ZINC000886675223 627187081 /nfs/dbraw/zinc/18/70/81/627187081.db2.gz YQQSOXBYNWJBCO-PBHICJAKSA-N 0 3 303.377 3.176 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000811510345 627285539 /nfs/dbraw/zinc/28/55/39/627285539.db2.gz CWLZGXJRXRSPDZ-DLBZAZTESA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000811510345 627285540 /nfs/dbraw/zinc/28/55/40/627285540.db2.gz CWLZGXJRXRSPDZ-DLBZAZTESA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000811518813 627287322 /nfs/dbraw/zinc/28/73/22/627287322.db2.gz PEXSFYIWAVMKQO-ROUUACIJSA-N 0 3 317.429 3.324 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000811518813 627287323 /nfs/dbraw/zinc/28/73/23/627287323.db2.gz PEXSFYIWAVMKQO-ROUUACIJSA-N 0 3 317.429 3.324 20 10 DGCDHN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@H](C)OC ZINC000812303312 627369249 /nfs/dbraw/zinc/36/92/49/627369249.db2.gz OKPCTQYYKOTSTF-ZDUSSCGKSA-N 0 3 303.402 3.411 20 10 DGCDHN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@H](C)OC ZINC000812303312 627369254 /nfs/dbraw/zinc/36/92/54/627369254.db2.gz OKPCTQYYKOTSTF-ZDUSSCGKSA-N 0 3 303.402 3.411 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@H](O)C2(C)C)c(C(F)(F)F)c1 ZINC000812778387 627419130 /nfs/dbraw/zinc/41/91/30/627419130.db2.gz KAKMSFLUQZGMNO-AWEZNQCLSA-N 0 3 316.367 3.117 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2c[nH]nc2C(C)(C)C)c1 ZINC000813330717 627478730 /nfs/dbraw/zinc/47/87/30/627478730.db2.gz FAPLIPBXFCTKAG-NSHDSACASA-N 0 3 303.406 3.272 20 10 DGCDHN COCC(C)(C)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000814173842 627546694 /nfs/dbraw/zinc/54/66/94/627546694.db2.gz YPVFQFJJPZKYFK-UHFFFAOYSA-N 0 3 316.239 3.225 20 10 DGCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000815632897 627692765 /nfs/dbraw/zinc/69/27/65/627692765.db2.gz AYVKFNURSSGYLG-SGMGOOAPSA-N 0 3 322.424 3.222 20 10 DGCDHN C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])CN(C)C ZINC000815627809 627692815 /nfs/dbraw/zinc/69/28/15/627692815.db2.gz KEFQACVOZNQIIL-GHMZBOCLSA-N 0 3 304.356 3.259 20 10 DGCDHN CC(C)N1CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816610374 627814460 /nfs/dbraw/zinc/81/44/60/627814460.db2.gz IMOVWLNFWMDZOU-NSHDSACASA-N 0 3 300.805 3.005 20 10 DGCDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC000817412426 627895809 /nfs/dbraw/zinc/89/58/09/627895809.db2.gz KYLFNLAHHLOWRH-DZGCQCFKSA-N 0 3 305.418 3.334 20 10 DGCDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC000817412426 627895812 /nfs/dbraw/zinc/89/58/12/627895812.db2.gz KYLFNLAHHLOWRH-DZGCQCFKSA-N 0 3 305.418 3.334 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCO)CC2)c1[O-] ZINC000817418646 627897899 /nfs/dbraw/zinc/89/78/99/627897899.db2.gz AQGAEDGLVCKFIY-LBPRGKRZSA-N 0 3 313.825 3.039 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CCO)CC2)c1[O-] ZINC000817418646 627897904 /nfs/dbraw/zinc/89/79/04/627897904.db2.gz AQGAEDGLVCKFIY-LBPRGKRZSA-N 0 3 313.825 3.039 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1[O-] ZINC000817880392 627952813 /nfs/dbraw/zinc/95/28/13/627952813.db2.gz RNAHNRIXWXZKJN-MJVIPROJSA-N 0 3 324.852 3.053 20 10 DGCDHN CC[C@H]([NH2+]CCCNCc1cccnc1)c1ccc(C)cc1[O-] ZINC000817942233 627968584 /nfs/dbraw/zinc/96/85/84/627968584.db2.gz ZJISBKDTUAAZSN-SFHVURJKSA-N 0 3 313.445 3.316 20 10 DGCDHN CC[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817953811 627973245 /nfs/dbraw/zinc/97/32/45/627973245.db2.gz RSMBPXVOTJZVLA-AAEUAGOBSA-N 0 3 302.340 3.204 20 10 DGCDHN CC(C)C[C@@H](CN)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000817957557 627974641 /nfs/dbraw/zinc/97/46/41/627974641.db2.gz CVYPMLZFZYGNAD-PWSUYJOCSA-N 0 3 315.255 3.179 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)c2c1c(F)ccc2[O-] ZINC000817958409 627974872 /nfs/dbraw/zinc/97/48/72/627974872.db2.gz VJMMGFQZLXUIHF-IAQYHMDHSA-N 0 3 300.377 3.494 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969926 627978411 /nfs/dbraw/zinc/97/84/11/627978411.db2.gz IIMHSOVRTIMHRF-GBIKHYSHSA-N 0 3 302.340 3.060 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969929 627978528 /nfs/dbraw/zinc/97/85/28/627978528.db2.gz IIMHSOVRTIMHRF-OUJBWJOFSA-N 0 3 302.340 3.060 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000817969520 627978594 /nfs/dbraw/zinc/97/85/94/627978594.db2.gz VWDJPONNEHHOJN-LEWSCRJBSA-N 0 3 316.367 3.450 20 10 DGCDHN C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1[O-] ZINC000817980286 627982814 /nfs/dbraw/zinc/98/28/14/627982814.db2.gz KMAQIPITWWNOHJ-IAQYHMDHSA-N 0 3 306.356 3.193 20 10 DGCDHN CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2)n1 ZINC000927046739 628002239 /nfs/dbraw/zinc/00/22/39/628002239.db2.gz BJYKZSYCEGCEQA-WZRBSPASSA-N 0 3 319.380 3.464 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C(C)(C)C)C1=O ZINC000822653833 628475601 /nfs/dbraw/zinc/47/56/01/628475601.db2.gz CUCKRKXIJVWIRF-HNNXBMFYSA-N 0 3 304.434 3.004 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C(C)(C)C)C1=O ZINC000822653833 628475604 /nfs/dbraw/zinc/47/56/04/628475604.db2.gz CUCKRKXIJVWIRF-HNNXBMFYSA-N 0 3 304.434 3.004 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000824709871 628685988 /nfs/dbraw/zinc/68/59/88/628685988.db2.gz PQEAGIHUXDKTAW-OAHLLOKOSA-N 0 3 308.853 3.414 20 10 DGCDHN CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000824783181 628693327 /nfs/dbraw/zinc/69/33/27/628693327.db2.gz GHXREJLREGHPQJ-ZJUUUORDSA-N 0 3 314.223 3.299 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1[O-] ZINC000825104258 628728297 /nfs/dbraw/zinc/72/82/97/628728297.db2.gz SCXGJLZVQBKGLU-JKSUJKDBSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1[O-] ZINC000825104258 628728299 /nfs/dbraw/zinc/72/82/99/628728299.db2.gz SCXGJLZVQBKGLU-JKSUJKDBSA-N 0 3 305.418 3.180 20 10 DGCDHN COC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000825321784 628749058 /nfs/dbraw/zinc/74/90/58/628749058.db2.gz NUHWCXJLVMVHRF-GFCCVEGCSA-N 0 3 313.825 3.303 20 10 DGCDHN COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000825321784 628749060 /nfs/dbraw/zinc/74/90/60/628749060.db2.gz NUHWCXJLVMVHRF-GFCCVEGCSA-N 0 3 313.825 3.303 20 10 DGCDHN CC(C)N1CC[C@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825337984 628751497 /nfs/dbraw/zinc/75/14/97/628751497.db2.gz KFMGIDWJMRNWIR-LBPRGKRZSA-N 0 3 300.805 3.099 20 10 DGCDHN CC(C)N1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825337984 628751499 /nfs/dbraw/zinc/75/14/99/628751499.db2.gz KFMGIDWJMRNWIR-LBPRGKRZSA-N 0 3 300.805 3.099 20 10 DGCDHN CCc1cccc(CNCc2cnc(C(F)(F)F)nc2)c1O ZINC000826839305 628893792 /nfs/dbraw/zinc/89/37/92/628893792.db2.gz PYPLGOPOKQEVON-UHFFFAOYSA-N 0 3 311.307 3.053 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1cccnc1N1CCCC1 ZINC000826899406 628900891 /nfs/dbraw/zinc/90/08/91/628900891.db2.gz MTRBVMOQYCVRJE-UHFFFAOYSA-N 0 3 324.472 3.346 20 10 DGCDHN COCCN(CCOC)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827316422 628948464 /nfs/dbraw/zinc/94/84/64/628948464.db2.gz ALZICEPJRJYBOZ-UHFFFAOYSA-N 0 3 320.477 3.080 20 10 DGCDHN CC(C)[C@@H](O)[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000827525685 628968022 /nfs/dbraw/zinc/96/80/22/628968022.db2.gz CQMLVQOSPJVYHX-QZTJIDSGSA-N 0 3 303.377 3.379 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CNCc2ccccc21 ZINC000828147644 629028098 /nfs/dbraw/zinc/02/80/98/629028098.db2.gz HOMHXMVFCNXWAF-GOSISDBHSA-N 0 3 324.424 3.018 20 10 DGCDHN Cc1cc(CN2CC[C@@](O)(C(F)F)C2)ccc1N1CCCCC1 ZINC000831181793 629347225 /nfs/dbraw/zinc/34/72/25/629347225.db2.gz XMMNYNRXITVVKZ-SFHVURJKSA-N 0 3 324.415 3.187 20 10 DGCDHN COc1ccc(O[C@@H](C)C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834606214 629739040 /nfs/dbraw/zinc/73/90/40/629739040.db2.gz GGJZAUQNXZPYRR-SUMWQHHRSA-N 0 3 313.397 3.445 20 10 DGCDHN Cc1cccn2cc(CC[NH2+][C@H]3CCc4cccc([O-])c43)nc12 ZINC000834612488 629739752 /nfs/dbraw/zinc/73/97/52/629739752.db2.gz UJHZBYXJKOAZQB-INIZCTEOSA-N 0 3 307.397 3.168 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)CC2 ZINC000834639784 629745330 /nfs/dbraw/zinc/74/53/30/629745330.db2.gz BJCQPNWTRHSUEQ-HNNXBMFYSA-N 0 3 305.324 3.326 20 10 DGCDHN CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000834783936 629779461 /nfs/dbraw/zinc/77/94/61/629779461.db2.gz PKBCQNAIHZEFOI-HOTGVXAUSA-N 0 3 311.429 3.304 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc(F)ccc1[O-] ZINC000834890096 629798798 /nfs/dbraw/zinc/79/87/98/629798798.db2.gz CWXFBLWNFOGIMB-WBHUJUFNSA-N 0 3 316.376 3.497 20 10 DGCDHN COCC(COC)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834893788 629800216 /nfs/dbraw/zinc/80/02/16/629800216.db2.gz XMLXTBHWYDZWTG-AWEZNQCLSA-N 0 3 324.440 3.128 20 10 DGCDHN Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1C ZINC000834912276 629807565 /nfs/dbraw/zinc/80/75/65/629807565.db2.gz CAFPKHXCJZJQMZ-YOEHRIQHSA-N 0 3 317.404 3.402 20 10 DGCDHN Cc1ccsc1[C@H](CO)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835042885 629832725 /nfs/dbraw/zinc/83/27/25/629832725.db2.gz LCVCMXSKROOTOR-CHYADLBTSA-N 0 3 316.470 3.459 20 10 DGCDHN CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000835070479 629843546 /nfs/dbraw/zinc/84/35/46/629843546.db2.gz OMGRUZQYOZERPP-KRWDZBQOSA-N 0 3 309.381 3.085 20 10 DGCDHN CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000835070479 629843552 /nfs/dbraw/zinc/84/35/52/629843552.db2.gz OMGRUZQYOZERPP-KRWDZBQOSA-N 0 3 309.381 3.085 20 10 DGCDHN COC(=O)c1cccc2c1CCN(Cc1cc(C)ccc1O)C2 ZINC000835070820 629843972 /nfs/dbraw/zinc/84/39/72/629843972.db2.gz XHAKKQWEMIGBDW-UHFFFAOYSA-N 0 3 311.381 3.046 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000840918238 630378160 /nfs/dbraw/zinc/37/81/60/630378160.db2.gz QJQXAHMNLQNQGP-CQSZACIVSA-N 0 3 308.853 3.272 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@@]1(CO)CCCc2ccccc21 ZINC000840942429 630382020 /nfs/dbraw/zinc/38/20/20/630382020.db2.gz MTUXLUMEPCKQJK-OAQYLSRUSA-N 0 3 324.468 3.375 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccnc(N2CCCC2)c1 ZINC000840946405 630382196 /nfs/dbraw/zinc/38/21/96/630382196.db2.gz IRAXTVRDAISQTA-UHFFFAOYSA-N 0 3 324.472 3.346 20 10 DGCDHN Cc1cc([O-])c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(Cl)c1 ZINC000840948008 630382474 /nfs/dbraw/zinc/38/24/74/630382474.db2.gz JIXYPYLQJQYIJB-KBPBESRZSA-N 0 3 308.853 3.413 20 10 DGCDHN COc1cccc(CNCc2cccc3c2OC(F)(F)O3)c1O ZINC000840948749 630382673 /nfs/dbraw/zinc/38/26/73/630382673.db2.gz JWJUUGQMMPPOAV-UHFFFAOYSA-N 0 3 323.295 3.012 20 10 DGCDHN COCC[C@@H](C)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000840955524 630383877 /nfs/dbraw/zinc/38/38/77/630383877.db2.gz SFVDGRIVGPTCIS-SNVBAGLBSA-N 0 3 316.239 3.225 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([O-])c1 ZINC000840956103 630385424 /nfs/dbraw/zinc/38/54/24/630385424.db2.gz AWWBLKDFEPLMET-WMZOPIPTSA-N 0 3 313.397 3.099 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([O-])c1 ZINC000840956103 630385426 /nfs/dbraw/zinc/38/54/26/630385426.db2.gz AWWBLKDFEPLMET-WMZOPIPTSA-N 0 3 313.397 3.099 20 10 DGCDHN CCC(N)(CC)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841031430 630398420 /nfs/dbraw/zinc/39/84/20/630398420.db2.gz TXLAVEYHUXKKCT-UHFFFAOYSA-N 0 3 315.255 3.070 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2NCCc3ccccc32)c(Cl)c1 ZINC000841066744 630403776 /nfs/dbraw/zinc/40/37/76/630403776.db2.gz GIZSJNMBOUZVSH-KRWDZBQOSA-N 0 3 316.832 3.331 20 10 DGCDHN C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H](c1ccccc1)N(C)C ZINC000841296683 630424478 /nfs/dbraw/zinc/42/44/78/630424478.db2.gz XEKVRXUIDHCAAQ-CXAGYDPISA-N 0 3 312.417 3.082 20 10 DGCDHN Cc1ccc([C@@H](CNC(=O)Nc2ccc(N)cc2)N(C)C)cc1 ZINC000841301363 630425594 /nfs/dbraw/zinc/42/55/94/630425594.db2.gz MMUTXXIVLZBUAW-QGZVFWFLSA-N 0 3 312.417 3.002 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000842616157 630554384 /nfs/dbraw/zinc/55/43/84/630554384.db2.gz SKRPJYGGEAIPAR-OAHLLOKOSA-N 0 3 320.396 3.022 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000842616157 630554385 /nfs/dbraw/zinc/55/43/85/630554385.db2.gz SKRPJYGGEAIPAR-OAHLLOKOSA-N 0 3 320.396 3.022 20 10 DGCDHN CCN(CC)c1ccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842720269 630567907 /nfs/dbraw/zinc/56/79/07/630567907.db2.gz DWOATKJVLPAHOY-QGZVFWFLSA-N 0 3 317.477 3.022 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC000842891879 630591078 /nfs/dbraw/zinc/59/10/78/630591078.db2.gz XHLSJBCQZPOKNA-LBPRGKRZSA-N 0 3 319.307 3.491 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000843415909 630654318 /nfs/dbraw/zinc/65/43/18/630654318.db2.gz FAHHJNPLMLMLKX-HZPDHXFCSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000843415909 630654321 /nfs/dbraw/zinc/65/43/21/630654321.db2.gz FAHHJNPLMLMLKX-HZPDHXFCSA-N 0 3 305.418 3.182 20 10 DGCDHN CC[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccccc1[O-] ZINC000844313390 630718426 /nfs/dbraw/zinc/71/84/26/630718426.db2.gz QWAASIIRJXIROV-LBPRGKRZSA-N 0 3 311.307 3.442 20 10 DGCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844441335 630730488 /nfs/dbraw/zinc/73/04/88/630730488.db2.gz XHISYANSUHWNQF-OAHLLOKOSA-N 0 3 313.319 3.355 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)c2c1 ZINC000844752230 630835781 /nfs/dbraw/zinc/83/57/81/630835781.db2.gz GQAMIKLTVAHSQA-GASCZTMLSA-N 0 3 305.324 3.251 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)c2c1 ZINC000844752230 630835784 /nfs/dbraw/zinc/83/57/84/630835784.db2.gz GQAMIKLTVAHSQA-GASCZTMLSA-N 0 3 305.324 3.251 20 10 DGCDHN COc1cccc([C@H](C)NCc2cccc3c2OCCO3)c1O ZINC000846151718 631212241 /nfs/dbraw/zinc/21/22/41/631212241.db2.gz FOIPNGPOULOYPE-LBPRGKRZSA-N 0 3 315.369 3.023 20 10 DGCDHN C/C(=C\c1cccnc1)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000846864811 631333133 /nfs/dbraw/zinc/33/31/33/631333133.db2.gz DXNFXYFQQPGZMQ-HAZIXKIPSA-N 0 3 321.424 3.004 20 10 DGCDHN CCOCC[N@H+](CC)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000107669027 631679289 /nfs/dbraw/zinc/67/92/89/631679289.db2.gz IIPBLPHYSVUAAF-UHFFFAOYSA-N 0 3 303.402 3.412 20 10 DGCDHN CCOCC[N@@H+](CC)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000107669027 631679294 /nfs/dbraw/zinc/67/92/94/631679294.db2.gz IIPBLPHYSVUAAF-UHFFFAOYSA-N 0 3 303.402 3.412 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1[O-] ZINC000848558305 631691765 /nfs/dbraw/zinc/69/17/65/631691765.db2.gz LGICOAGQZZSTMI-BZNIZROVSA-N 0 3 314.360 3.135 20 10 DGCDHN CCCOc1ncccc1CNCc1cccc(CC)c1O ZINC000848894913 631776916 /nfs/dbraw/zinc/77/69/16/631776916.db2.gz NUPYJCIAFQRFGM-UHFFFAOYSA-N 0 3 300.402 3.428 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCCCO1 ZINC000848928015 631791962 /nfs/dbraw/zinc/79/19/62/631791962.db2.gz UETBHCFYEKCMMF-KBPBESRZSA-N 0 3 313.825 3.492 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1[O-] ZINC000848928011 631792469 /nfs/dbraw/zinc/79/24/69/631792469.db2.gz UCLPATMISMCRMO-HOTGVXAUSA-N 0 3 308.853 3.461 20 10 DGCDHN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000849350366 631900238 /nfs/dbraw/zinc/90/02/38/631900238.db2.gz YBNBYEJZQYBRLN-IAGOWNOFSA-N 0 3 316.832 3.281 20 10 DGCDHN Oc1cccc(Cl)c1CNc1ccc([C@@H]2CNCCO2)cc1 ZINC000849353062 631901673 /nfs/dbraw/zinc/90/16/73/631901673.db2.gz XOWPLSITZGRILT-KRWDZBQOSA-N 0 3 318.804 3.319 20 10 DGCDHN COC[C@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])OC ZINC000850345222 632120191 /nfs/dbraw/zinc/12/01/91/632120191.db2.gz OQBVWPMUFAZVLF-SFHVURJKSA-N 0 3 315.413 3.200 20 10 DGCDHN COc1ccc(N2CC[C@H](NCc3cccc(F)c3F)C2)cc1 ZINC000850347388 632120936 /nfs/dbraw/zinc/12/09/36/632120936.db2.gz RRYNXIDXZRBXIA-AWEZNQCLSA-N 0 3 318.367 3.342 20 10 DGCDHN COc1cccc(CNCc2cccc(OC3CC3)c2F)c1O ZINC000850365218 632127083 /nfs/dbraw/zinc/12/70/83/632127083.db2.gz JWICZOIISHSWDI-UHFFFAOYSA-N 0 3 317.360 3.371 20 10 DGCDHN CN(C)c1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1F ZINC000850386629 632135156 /nfs/dbraw/zinc/13/51/56/632135156.db2.gz KJJDUNBCHIJBGH-QGZVFWFLSA-N 0 3 300.377 3.374 20 10 DGCDHN CCOc1ccc(C[NH2+]CC2(O)CCC(C)(C)CC2)c([O-])c1 ZINC000850393477 632137972 /nfs/dbraw/zinc/13/79/72/632137972.db2.gz CQKLRHYFQOZYNT-UHFFFAOYSA-N 0 3 307.434 3.212 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c([O-])c1 ZINC000850411586 632144383 /nfs/dbraw/zinc/14/43/83/632144383.db2.gz GCBXEDXFDFINGF-AUUYWEPGSA-N 0 3 315.413 3.045 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c([O-])c1 ZINC000850419402 632146907 /nfs/dbraw/zinc/14/69/07/632146907.db2.gz DKNQJEZPTADELT-FZKQIMNGSA-N 0 3 301.386 3.003 20 10 DGCDHN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000850484146 632166945 /nfs/dbraw/zinc/16/69/45/632166945.db2.gz DBYIRWCMZGZUSG-LBPRGKRZSA-N 0 3 316.376 3.018 20 10 DGCDHN COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)cc1 ZINC000850486509 632167796 /nfs/dbraw/zinc/16/77/96/632167796.db2.gz IFHIQMORYNPHCY-QAPCUYQASA-N 0 3 324.424 3.257 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1[O-] ZINC000850502422 632173579 /nfs/dbraw/zinc/17/35/79/632173579.db2.gz WCHIOVIJVMMJHY-JKSUJKDBSA-N 0 3 310.397 3.021 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000850557942 632192890 /nfs/dbraw/zinc/19/28/90/632192890.db2.gz ORZLOYSSXWENSJ-GDBMZVCRSA-N 0 3 318.461 3.388 20 10 DGCDHN CO[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)[C@@H]1CCOC1 ZINC000851771896 632489123 /nfs/dbraw/zinc/48/91/23/632489123.db2.gz RDGHRRDRPPCDLB-APWZRJJASA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)[C@@H]1CCOC1 ZINC000851771896 632489127 /nfs/dbraw/zinc/48/91/27/632489127.db2.gz RDGHRRDRPPCDLB-APWZRJJASA-N 0 3 319.445 3.188 20 10 DGCDHN COc1ccc(OCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184903729 660194806 /nfs/dbraw/zinc/19/48/06/660194806.db2.gz QGWUVARLIFMOKZ-LBPRGKRZSA-N 0 3 305.349 3.270 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c([O-])c1 ZINC000185164443 660205610 /nfs/dbraw/zinc/20/56/10/660205610.db2.gz YFHVFKAGILHVRG-GJZGRUSLSA-N 0 3 310.397 3.157 20 10 DGCDHN CN(C)c1ccc(CNCc2ccnn2-c2ccc(F)cc2)cc1 ZINC000792894114 660992269 /nfs/dbraw/zinc/99/22/69/660992269.db2.gz QLIIRLFNNVDGKX-UHFFFAOYSA-N 0 3 324.403 3.367 20 10 DGCDHN CC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794789926 661105246 /nfs/dbraw/zinc/10/52/46/661105246.db2.gz BAIYDMKMMUSVFF-SOLBZPMBSA-N 0 3 320.477 3.241 20 10 DGCDHN CC[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(C)cc1[O-] ZINC000794804517 661105991 /nfs/dbraw/zinc/10/59/91/661105991.db2.gz NNUGOFXQCSJBMN-HNNXBMFYSA-N 0 3 313.401 3.165 20 10 DGCDHN CC[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(C)cc1[O-] ZINC000794804518 661106044 /nfs/dbraw/zinc/10/60/44/661106044.db2.gz NNUGOFXQCSJBMN-OAHLLOKOSA-N 0 3 313.401 3.165 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000794815718 661107124 /nfs/dbraw/zinc/10/71/24/661107124.db2.gz LDKMQLQDFWQSMV-DOTOQJQBSA-N 0 3 319.445 3.470 20 10 DGCDHN COc1ccc(CN(C)Cc2cc(C)ccc2O)c(OC)c1 ZINC000160837442 655684010 /nfs/dbraw/zinc/68/40/10/655684010.db2.gz LRVVHMJWBDZYOX-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cncn2C)c1[O-] ZINC000289978363 655691239 /nfs/dbraw/zinc/69/12/39/655691239.db2.gz XUQZXRFHESLYIL-JTQLQIEISA-N 0 3 324.222 3.047 20 10 DGCDHN CNC(=O)C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000795850650 661175964 /nfs/dbraw/zinc/17/59/64/661175964.db2.gz CBANYBKCKMZUKZ-LRDDRELGSA-N 0 3 316.376 3.059 20 10 DGCDHN CCOC(=O)C1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC000158111106 655773613 /nfs/dbraw/zinc/77/36/13/655773613.db2.gz DIEZHJUXPYTXPC-UHFFFAOYSA-N 0 3 318.461 3.308 20 10 DGCDHN CSCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000309837038 656075272 /nfs/dbraw/zinc/07/52/72/656075272.db2.gz BOMLBHMVBIZSCP-VIFPVBQESA-N 0 3 304.253 3.477 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C#N)cc2OC)c1 ZINC000182405442 656105420 /nfs/dbraw/zinc/10/54/20/656105420.db2.gz XMAPEOUKQYIUHT-GFCCVEGCSA-N 0 3 312.369 3.132 20 10 DGCDHN COc1cc(Br)cc(CN2CCC(C)(C)C2)c1O ZINC000093339806 656309209 /nfs/dbraw/zinc/30/92/09/656309209.db2.gz JAHJDXIKLSHYPY-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000317536497 656628862 /nfs/dbraw/zinc/62/88/62/656628862.db2.gz KXOWZZOBFOXUKX-BLLLJJGKSA-N 0 3 305.397 3.493 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@@H](O)c2ccco2)cc1F ZINC000304488595 657636141 /nfs/dbraw/zinc/63/61/41/657636141.db2.gz CJWQCOJRRCPAND-MRXNPFEDSA-N 0 3 306.381 3.088 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCO[C@@H](C)C3)c2c1 ZINC000172494739 659341295 /nfs/dbraw/zinc/34/12/95/659341295.db2.gz CWMQUCAKARQABY-ZDUSSCGKSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCO[C@@H](C)C3)c2c1 ZINC000172494739 659341299 /nfs/dbraw/zinc/34/12/99/659341299.db2.gz CWMQUCAKARQABY-ZDUSSCGKSA-N 0 3 301.386 3.165 20 10 DGCDHN C[NH2+]CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000063158834 659369622 /nfs/dbraw/zinc/36/96/22/659369622.db2.gz GXUFBBIOTSQVEK-UHFFFAOYSA-N 0 3 303.233 3.130 20 10 DGCDHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000180158122 659953341 /nfs/dbraw/zinc/95/33/41/659953341.db2.gz PTWJIRRUDHMELZ-CYBMUJFWSA-N 0 3 316.474 3.122 20 10 DGCDHN N#Cc1ccccc1CSCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000180405608 659961247 /nfs/dbraw/zinc/96/12/47/659961247.db2.gz HAKBMOWMAZXZKP-UHFFFAOYSA-N 0 3 316.401 3.426 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000180395217 659961577 /nfs/dbraw/zinc/96/15/77/659961577.db2.gz WPVCICPIMYKJKT-INIZCTEOSA-N 0 3 318.392 3.441 20 10 DGCDHN CCOc1cccc(CN2CCc3c(cccc3OC)C2)c1O ZINC000180784625 659970595 /nfs/dbraw/zinc/97/05/95/659970595.db2.gz JZEISEYITLSJDA-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccccc1[O-] ZINC000183393137 660109965 /nfs/dbraw/zinc/10/99/65/660109965.db2.gz WUQODLYZUXHESC-HNNXBMFYSA-N 0 3 307.397 3.488 20 10 DGCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000155303961 661844998 /nfs/dbraw/zinc/84/49/98/661844998.db2.gz KMENGOQLUMQJMJ-ZIAGYGMSSA-N 0 3 317.458 3.392 20 10 DGCDHN C[C@H]1[C@H](NC(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000393845025 685218992 /nfs/dbraw/zinc/21/89/92/685218992.db2.gz CLTXCVYNUUYLAO-KBXCAEBGSA-N 0 3 324.428 3.053 20 10 DGCDHN CCCCN(C(=O)c1cccc2c1CCNC2)c1cccnc1 ZINC001577441803 1191902092 /nfs/dbraw/zinc/90/20/92/1191902092.db2.gz GTAPRIZPSGQWFY-UHFFFAOYSA-N 0 3 309.413 3.174 20 10 DGCDHN COc1cc(CNCc2ccc(N)cc2)ccc1OC(F)F ZINC001579154131 1191967689 /nfs/dbraw/zinc/96/76/89/1191967689.db2.gz UQSSVQAXSQFIHR-UHFFFAOYSA-N 0 3 308.328 3.169 20 10 DGCDHN CN(C)c1cc(F)c(CNCC2(O)CCCCCC2)cc1F ZINC001620806179 1192085928 /nfs/dbraw/zinc/08/59/28/1192085928.db2.gz ZWGOQRQDKULBMA-UHFFFAOYSA-N 0 3 312.404 3.206 20 10 DGCDHN Cc1ccc(C[NH2+]Cc2ccc(NC(=O)C3CC3)cc2)c([O-])c1 ZINC001331054294 1178123405 /nfs/dbraw/zinc/12/34/05/1178123405.db2.gz XECVKWUOFUSHEG-UHFFFAOYSA-N 0 3 310.397 3.339 20 10 DGCDHN CCN(CC)c1ccc(CN[C@@H]2CCCC23OCCO3)cc1F ZINC001621020740 1192869790 /nfs/dbraw/zinc/86/97/90/1192869790.db2.gz QOLZEAYJTADRPW-QGZVFWFLSA-N 0 3 322.424 3.057 20 10 DGCDHN c1cc(CNCc2ccc(N3CCCC3)cc2)cc2nonc12 ZINC001334344005 1178751197 /nfs/dbraw/zinc/75/11/97/1178751197.db2.gz CQONTIWKBYLVQP-UHFFFAOYSA-N 0 3 308.385 3.113 20 10 DGCDHN COC[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC001335566008 1178931824 /nfs/dbraw/zinc/93/18/24/1178931824.db2.gz QDOQHNSBLSCHLL-LBPRGKRZSA-N 0 3 301.814 3.062 20 10 DGCDHN Nc1ccc(CN2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC001336117996 1178995670 /nfs/dbraw/zinc/99/56/70/1178995670.db2.gz UJVCCYSJIDEEKG-IBGZPJMESA-N 0 3 323.440 3.053 20 10 DGCDHN Nc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC001356083537 1181138613 /nfs/dbraw/zinc/13/86/13/1181138613.db2.gz RNMOPNQNOYLXJG-QGZVFWFLSA-N 0 3 310.397 3.377 20 10 DGCDHN CC(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001439960255 1182023308 /nfs/dbraw/zinc/02/33/08/1182023308.db2.gz LFTAGNYPXGXCMA-CRAIPNDOSA-N 0 3 319.493 3.154 20 10 DGCDHN CCCN(CC[NH+]1CCCCC1)Cc1cc(F)c(F)cc1[O-] ZINC001462223812 1182926166 /nfs/dbraw/zinc/92/61/66/1182926166.db2.gz USHPEIUQJFLIJV-UHFFFAOYSA-N 0 3 312.404 3.368 20 10 DGCDHN CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001462483175 1182960171 /nfs/dbraw/zinc/96/01/71/1182960171.db2.gz RELXVTTXCCTBMO-KRWDZBQOSA-N 0 3 300.377 3.242 20 10 DGCDHN CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001462483175 1182960175 /nfs/dbraw/zinc/96/01/75/1182960175.db2.gz RELXVTTXCCTBMO-KRWDZBQOSA-N 0 3 300.377 3.242 20 10 DGCDHN COC(=O)C(C)(C)C[N@@H+](Cc1cc(F)ccc1[O-])CC(C)C ZINC001462544407 1182966146 /nfs/dbraw/zinc/96/61/46/1182966146.db2.gz VXEROWOYDUSYFG-UHFFFAOYSA-N 0 3 311.397 3.189 20 10 DGCDHN COC(=O)C(C)(C)C[N@H+](Cc1cc(F)ccc1[O-])CC(C)C ZINC001462544407 1182966149 /nfs/dbraw/zinc/96/61/49/1182966149.db2.gz VXEROWOYDUSYFG-UHFFFAOYSA-N 0 3 311.397 3.189 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)c([O-])c1 ZINC001462670078 1182982968 /nfs/dbraw/zinc/98/29/68/1182982968.db2.gz VGOQFCLRSPZJTI-QGZVFWFLSA-N 0 3 307.434 3.346 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCO[C@@H](C(C)(C)C)CC2)c([O-])c1 ZINC001462670078 1182982975 /nfs/dbraw/zinc/98/29/75/1182982975.db2.gz VGOQFCLRSPZJTI-QGZVFWFLSA-N 0 3 307.434 3.346 20 10 DGCDHN CN(C)c1cc(F)c(CNCCOc2cccc(F)c2)cc1F ZINC001473948271 1183836426 /nfs/dbraw/zinc/83/64/26/1183836426.db2.gz DNYZQPGAXOOATE-UHFFFAOYSA-N 0 3 324.346 3.339 20 10 DGCDHN C[C@@H](O)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC001473956858 1183837665 /nfs/dbraw/zinc/83/76/65/1183837665.db2.gz BGTHFPLPJYWZDW-CYBMUJFWSA-N 0 3 302.393 3.235 20 10 DGCDHN Cc1ccccc1[C@@H](CO)NCc1ccc(N2CCCC2)cc1 ZINC001474041778 1183856454 /nfs/dbraw/zinc/85/64/54/1183856454.db2.gz YPZSUBLGBBNEFT-HXUWFJFHSA-N 0 3 310.441 3.418 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC001474378740 1183911711 /nfs/dbraw/zinc/91/17/11/1183911711.db2.gz GVEYRZGHMLCHQH-YZTRRJNXSA-N 0 3 322.456 3.435 20 10 DGCDHN CCN1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H]1C ZINC001474380315 1183913542 /nfs/dbraw/zinc/91/35/42/1183913542.db2.gz OKQCUQVVPBSQPW-CQSZACIVSA-N 0 3 320.477 3.224 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@H]2COc3c(C)cccc3C2)c([O-])c1 ZINC001474560083 1183941404 /nfs/dbraw/zinc/94/14/04/1183941404.db2.gz FZQXLPKUJHCXDD-OAHLLOKOSA-N 0 3 313.397 3.111 20 10 DGCDHN CC(C)c1ccc(O)c(CNCc2n[nH]c(C(C)(C)C)n2)c1 ZINC001474572816 1183943210 /nfs/dbraw/zinc/94/32/10/1183943210.db2.gz JGQXXHAQBSZMEV-UHFFFAOYSA-N 0 3 302.422 3.221 20 10 DGCDHN C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)c1ccccc1[O-] ZINC001560075245 1189274903 /nfs/dbraw/zinc/27/49/03/1189274903.db2.gz YMLOSTBHMFZZKY-LBPRGKRZSA-N 0 3 302.349 3.211 20 10 DGCDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001560679236 1189359027 /nfs/dbraw/zinc/35/90/27/1189359027.db2.gz GYLQPKSCKBTJSQ-NVXWUHKLSA-N 0 3 318.461 3.217 20 10 DGCDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001560679236 1189359030 /nfs/dbraw/zinc/35/90/30/1189359030.db2.gz GYLQPKSCKBTJSQ-NVXWUHKLSA-N 0 3 318.461 3.217 20 10 DGCDHN COc1ccc(N(C)CCN(C)Cc2cc(C)nc(C)c2)cc1 ZINC001560917668 1189405905 /nfs/dbraw/zinc/40/59/05/1189405905.db2.gz VRYNEWOHUMACEG-UHFFFAOYSA-N 0 3 313.445 3.275 20 10 DGCDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001621399756 1193837345 /nfs/dbraw/zinc/83/73/45/1193837345.db2.gz OWXUNHSKEKHGET-CHWSQXEVSA-N 0 3 323.408 3.474 20 10 DGCDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC001621399756 1193837348 /nfs/dbraw/zinc/83/73/48/1193837348.db2.gz OWXUNHSKEKHGET-CHWSQXEVSA-N 0 3 323.408 3.474 20 10 DGCDHN COC(=O)/C=C/c1ccc(CN[C@@H](C)c2ccccc2O)o1 ZINC001621481981 1193848724 /nfs/dbraw/zinc/84/87/24/1193848724.db2.gz GRRJMBRWORUZJH-VMPCVLLUSA-N 0 3 301.342 3.022 20 10 DGCDHN CCN(C)c1ccc(CN2CCC[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC001655658429 1195946407 /nfs/dbraw/zinc/94/64/07/1195946407.db2.gz CNAZMVMSDPQFTN-QGZVFWFLSA-N 0 3 317.477 3.022 20 10 DGCDHN C[NH+](C)CCN(Cc1ccco1)Cc1ccc(Cl)cc1[O-] ZINC001658010058 1196201497 /nfs/dbraw/zinc/20/14/97/1196201497.db2.gz FVWWYTSJJTYJOU-UHFFFAOYSA-N 0 3 308.809 3.202 20 10 DGCDHN CCc1cccc(CN2CCN(C)C[C@H]2c2ccccc2)c1O ZINC001658202091 1196225070 /nfs/dbraw/zinc/22/50/70/1196225070.db2.gz LOBWAQWDOBGWKG-IBGZPJMESA-N 0 3 310.441 3.443 20 10 DGCDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC001658315442 1196240640 /nfs/dbraw/zinc/24/06/40/1196240640.db2.gz PMHJILPKWPOJNO-CABCVRRESA-N 0 3 316.367 3.429 20 10 DGCDHN CCCC[N@H+](CC[S@](=O)C(F)(F)F)Cc1ccccc1[O-] ZINC001658434186 1196256016 /nfs/dbraw/zinc/25/60/16/1196256016.db2.gz UCODXEAXRBBDGA-NRFANRHFSA-N 0 3 323.380 3.263 20 10 DGCDHN CCCC[N@@H+](CC[S@](=O)C(F)(F)F)Cc1ccccc1[O-] ZINC001658434186 1196256023 /nfs/dbraw/zinc/25/60/23/1196256023.db2.gz UCODXEAXRBBDGA-NRFANRHFSA-N 0 3 323.380 3.263 20 10 DGCDHN COc1ccc(O)c(CN[C@H](Cn2ccnc2)c2ccccc2)c1 ZINC001658788558 1196301855 /nfs/dbraw/zinc/30/18/55/1196301855.db2.gz RDYJHCZPBSQPHQ-GOSISDBHSA-N 0 3 323.396 3.128 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@]1(CO)CCc2ccccc21 ZINC001661975567 1196667519 /nfs/dbraw/zinc/66/75/19/1196667519.db2.gz PZPMCYHSDPOSPL-NRFANRHFSA-N 0 3 320.436 3.410 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC001664441108 1196999756 /nfs/dbraw/zinc/99/97/56/1196999756.db2.gz VVUAUSNFRJRKBE-QDMKHBRRSA-N 0 3 307.434 3.393 20 10 DGCDHN COc1ccc(CNC/C=C\CNC(=O)[C@H](C)C(C)C)cc1C ZINC001669069327 1197439485 /nfs/dbraw/zinc/43/94/85/1197439485.db2.gz GGMGTJQVRHCYRD-MWWKQMNYSA-N 0 3 318.461 3.058 20 10 DGCDHN CC/C(C)=C\C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001716291167 1203457503 /nfs/dbraw/zinc/45/75/03/1203457503.db2.gz LBIHXQIDHVPDQY-JMGLOCJTSA-N 0 3 316.445 3.122 20 10 DGCDHN Cc1ccc(O)c(CNCc2sc(N(C)C)nc2Cl)c1 ZINC001182958880 1083842164 /nfs/dbraw/zinc/84/21/64/1083842164.db2.gz FSLNBVAJLBNNBM-UHFFFAOYSA-N 0 3 311.838 3.166 20 10 DGCDHN COC(CN(Cc1ccccc1)Cc1ccccc1O)OC ZINC001203550566 1090753234 /nfs/dbraw/zinc/75/32/34/1090753234.db2.gz ZXOCVPMBOJWQHH-UHFFFAOYSA-N 0 3 301.386 3.013 20 10 DGCDHN COc1ccccc1OC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203556007 1090753946 /nfs/dbraw/zinc/75/39/46/1090753946.db2.gz ILVUQKSXSIUWNJ-UHFFFAOYSA-N 0 3 313.397 3.444 20 10 DGCDHN CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC001203551529 1090754262 /nfs/dbraw/zinc/75/42/62/1090754262.db2.gz GWPNWWKJHMAHOU-UHFFFAOYSA-N 0 3 313.397 3.348 20 10 DGCDHN CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC001203551529 1090754265 /nfs/dbraw/zinc/75/42/65/1090754265.db2.gz GWPNWWKJHMAHOU-UHFFFAOYSA-N 0 3 313.397 3.348 20 10 DGCDHN C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001203558603 1090755482 /nfs/dbraw/zinc/75/54/82/1090755482.db2.gz OPMMKRDREHBMKI-UHFFFAOYSA-N 0 3 308.422 3.129 20 10 DGCDHN C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001203558603 1090755488 /nfs/dbraw/zinc/75/54/88/1090755488.db2.gz OPMMKRDREHBMKI-UHFFFAOYSA-N 0 3 308.422 3.129 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001203561663 1090756357 /nfs/dbraw/zinc/75/63/57/1090756357.db2.gz XRLRTYHJLLEOQB-PKOBYXMFSA-N 0 3 308.425 3.099 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001203561663 1090756362 /nfs/dbraw/zinc/75/63/62/1090756362.db2.gz XRLRTYHJLLEOQB-PKOBYXMFSA-N 0 3 308.425 3.099 20 10 DGCDHN COc1ccc(CC[N@H+](C)Cc2ccc(OC)cc2[O-])cc1 ZINC001203627393 1090769356 /nfs/dbraw/zinc/76/93/56/1090769356.db2.gz BKZDWHVIPDPHBS-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COc1ccc(CC[N@@H+](C)Cc2ccc(OC)cc2[O-])cc1 ZINC001203627393 1090769359 /nfs/dbraw/zinc/76/93/59/1090769359.db2.gz BKZDWHVIPDPHBS-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COC1(c2ccccc2)CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203880439 1090826546 /nfs/dbraw/zinc/82/65/46/1090826546.db2.gz RUWOQAHDXRBYEW-UHFFFAOYSA-N 0 3 313.397 3.236 20 10 DGCDHN COc1cccc(C2CCN(Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203881701 1090826687 /nfs/dbraw/zinc/82/66/87/1090826687.db2.gz SWWLUEZVJRXPKA-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN COC(=O)c1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001203937667 1090843751 /nfs/dbraw/zinc/84/37/51/1090843751.db2.gz KIFHIRFAUAVVJP-UHFFFAOYSA-N 0 3 312.413 3.171 20 10 DGCDHN CCOc1cc(CN2CCc3cccc(O)c3C2)ccc1OC ZINC001204189831 1090916851 /nfs/dbraw/zinc/91/68/51/1090916851.db2.gz FYYOVOFSOCBMGR-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN CCOCCN(CCOCC)Cc1ccc(N2CCCC2)cc1 ZINC001204320808 1090948484 /nfs/dbraw/zinc/94/84/84/1090948484.db2.gz AWLJECZIBZACGF-UHFFFAOYSA-N 0 3 320.477 3.162 20 10 DGCDHN CC[C@@H](C)[C@@H](CN1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC001204388418 1090959873 /nfs/dbraw/zinc/95/98/73/1090959873.db2.gz CAPFJGWFKOKWDK-RDTXWAMCSA-N 0 3 324.440 3.017 20 10 DGCDHN CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c(OC)c1 ZINC001138390487 1091166113 /nfs/dbraw/zinc/16/61/13/1091166113.db2.gz YUDFLSMOCWOJGA-XIRDDKMYSA-N 0 3 306.425 3.474 20 10 DGCDHN CCOC1CC2(C1)CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001205729637 1091323566 /nfs/dbraw/zinc/32/35/66/1091323566.db2.gz SJYTXYPNHKZDOA-UHFFFAOYSA-N 0 3 305.418 3.100 20 10 DGCDHN CCOC1CC2(C1)CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001205729637 1091323570 /nfs/dbraw/zinc/32/35/70/1091323570.db2.gz SJYTXYPNHKZDOA-UHFFFAOYSA-N 0 3 305.418 3.100 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(-c3cnccn3)cc1)CC2 ZINC001139393058 1091544005 /nfs/dbraw/zinc/54/40/05/1091544005.db2.gz HKAUIDSXIFGPLW-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(-c3cnccn3)cc1)CC2 ZINC001139393058 1091544012 /nfs/dbraw/zinc/54/40/12/1091544012.db2.gz HKAUIDSXIFGPLW-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206239078 1091545108 /nfs/dbraw/zinc/54/51/08/1091545108.db2.gz YTSFTVTWJNJEFA-OAHLLOKOSA-N 0 3 310.319 3.011 20 10 DGCDHN N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206239078 1091545115 /nfs/dbraw/zinc/54/51/15/1091545115.db2.gz YTSFTVTWJNJEFA-OAHLLOKOSA-N 0 3 310.319 3.011 20 10 DGCDHN Cc1cc(CN2CC[C@]3(C2)CC(F)(F)CO3)ccc1N(C)C ZINC001139673205 1091639173 /nfs/dbraw/zinc/63/91/73/1091639173.db2.gz CLKPCRWFRMCCFL-MRXNPFEDSA-N 0 3 310.388 3.061 20 10 DGCDHN CCCc1noc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140058488 1091752758 /nfs/dbraw/zinc/75/27/58/1091752758.db2.gz CPOGFZWEQKGDBD-GFCCVEGCSA-N 0 3 319.380 3.246 20 10 DGCDHN CCCc1noc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140058488 1091752764 /nfs/dbraw/zinc/75/27/64/1091752764.db2.gz CPOGFZWEQKGDBD-GFCCVEGCSA-N 0 3 319.380 3.246 20 10 DGCDHN COC(=O)CCN(Cc1ccco1)Cc1c(C)ccc(C)c1O ZINC001140178937 1091791918 /nfs/dbraw/zinc/79/19/18/1091791918.db2.gz DFEFELXMYSZKLA-UHFFFAOYSA-N 0 3 317.385 3.167 20 10 DGCDHN CCC[N@H+](Cc1c(C)ccc(C)c1[O-])C1CCN(C(C)=O)CC1 ZINC001140183269 1091793600 /nfs/dbraw/zinc/79/36/00/1091793600.db2.gz ARVJYVCIBSHMOO-UHFFFAOYSA-N 0 3 318.461 3.232 20 10 DGCDHN CCC[N@@H+](Cc1c(C)ccc(C)c1[O-])C1CCN(C(C)=O)CC1 ZINC001140183269 1091793609 /nfs/dbraw/zinc/79/36/09/1091793609.db2.gz ARVJYVCIBSHMOO-UHFFFAOYSA-N 0 3 318.461 3.232 20 10 DGCDHN Cc1c[nH+]ccc1N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464629 1091876229 /nfs/dbraw/zinc/87/62/29/1091876229.db2.gz XYUWZTHWHNCZLZ-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN CC(C)NC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC001140617225 1091932142 /nfs/dbraw/zinc/93/21/42/1091932142.db2.gz IEGULTYCJWGOAJ-UHFFFAOYSA-N 0 3 312.413 3.162 20 10 DGCDHN CC(C)NC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC001140617225 1091932145 /nfs/dbraw/zinc/93/21/45/1091932145.db2.gz IEGULTYCJWGOAJ-UHFFFAOYSA-N 0 3 312.413 3.162 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(c3ccc(F)cc3C)CC2)c1 ZINC001140623863 1091936563 /nfs/dbraw/zinc/93/65/63/1091936563.db2.gz VLCTWZVAAPROHM-UHFFFAOYSA-N 0 3 314.404 3.470 20 10 DGCDHN Cc1c(O)ccc(CN2CC[C@@H]2COCc2ccccc2)c1O ZINC001140745554 1091983583 /nfs/dbraw/zinc/98/35/83/1091983583.db2.gz KMBZTKCOFFPNJQ-QGZVFWFLSA-N 0 3 313.397 3.197 20 10 DGCDHN CCN(CC)c1ccc(CN2CCOC[C@H]2C(C)C)c(O)c1 ZINC001140855465 1092031389 /nfs/dbraw/zinc/03/13/89/1092031389.db2.gz AESYQBCXHIXLCV-KRWDZBQOSA-N 0 3 306.450 3.095 20 10 DGCDHN Cc1ccc(CN2CCN(c3noc4ccccc43)CC2)c(O)c1 ZINC001140948681 1092074580 /nfs/dbraw/zinc/07/45/80/1092074580.db2.gz VLBGDYNDTNNQLD-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN Cc1ccc(CN2CCN(c3ccc(Cl)cn3)CC2)c(O)c1 ZINC001140950974 1092078230 /nfs/dbraw/zinc/07/82/30/1092078230.db2.gz RHZLCYHSZPNJAL-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN CN(Cc1ccc(Br)cc1)Cc1cc(O)ccc1O ZINC001141158547 1092155735 /nfs/dbraw/zinc/15/57/35/1092155735.db2.gz DJVDMWHZUBIWNO-UHFFFAOYSA-N 0 3 322.202 3.492 20 10 DGCDHN CCOc1ccc(N2CCN(CC(C)(C)OCC)CC2)cc1 ZINC001209077114 1092642919 /nfs/dbraw/zinc/64/29/19/1092642919.db2.gz YTHXUUHBIVPQSH-UHFFFAOYSA-N 0 3 306.450 3.022 20 10 DGCDHN [NH3+]C[C@H]1CCCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001206641428 1092903400 /nfs/dbraw/zinc/90/34/00/1092903400.db2.gz XDPZJTQPRLZDJR-SNVBAGLBSA-N 0 3 303.233 3.260 20 10 DGCDHN C[NH+]1CC2(C1)CCCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001276804571 1094970600 /nfs/dbraw/zinc/97/06/00/1094970600.db2.gz HDQDNQJVOPKPGM-UHFFFAOYSA-N 0 3 315.244 3.227 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171103855 1095374822 /nfs/dbraw/zinc/37/48/22/1095374822.db2.gz CVNBCNAUNPSAEA-OAHLLOKOSA-N 0 3 303.789 3.398 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166639 1095470958 /nfs/dbraw/zinc/47/09/58/1095470958.db2.gz APMNPTADQVEGGE-SFHVURJKSA-N 0 3 324.415 3.416 20 10 DGCDHN COc1cc([O-])c(CN2CCC[C@@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222277706 1095525116 /nfs/dbraw/zinc/52/51/16/1095525116.db2.gz QQGVRTJRMHWGDR-QGZVFWFLSA-N 0 3 324.852 3.020 20 10 DGCDHN CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137839196 1095760587 /nfs/dbraw/zinc/76/05/87/1095760587.db2.gz VUIYXTXPZOCACA-GJZGRUSLSA-N 0 3 306.425 3.370 20 10 DGCDHN CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1F ZINC001137839196 1095760594 /nfs/dbraw/zinc/76/05/94/1095760594.db2.gz VUIYXTXPZOCACA-GJZGRUSLSA-N 0 3 306.425 3.370 20 10 DGCDHN Oc1cc2ccccc2cc1CNc1ccc2c(n1)CNCC2 ZINC001171403048 1096671016 /nfs/dbraw/zinc/67/10/16/1096671016.db2.gz XVVJFXFNDBPIMV-UHFFFAOYSA-N 0 3 305.381 3.198 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463223 1096892412 /nfs/dbraw/zinc/89/24/12/1096892412.db2.gz OSJBHZRPOCCBJP-CYBMUJFWSA-N 0 3 305.324 3.023 20 10 DGCDHN C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001277409645 1097363724 /nfs/dbraw/zinc/36/37/24/1097363724.db2.gz YZZKJCFDGXEQCE-BETUJISGSA-N 0 3 308.853 3.231 20 10 DGCDHN C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001277409645 1097363727 /nfs/dbraw/zinc/36/37/27/1097363727.db2.gz YZZKJCFDGXEQCE-BETUJISGSA-N 0 3 308.853 3.231 20 10 DGCDHN O=c1ccc2c([nH]1)CC[N@@H+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231590456 1097785097 /nfs/dbraw/zinc/78/50/97/1097785097.db2.gz BSXXOAXRUYAGHK-UHFFFAOYSA-N 0 3 320.392 3.247 20 10 DGCDHN O=c1ccc2c([nH]1)CC[N@H+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231590456 1097785103 /nfs/dbraw/zinc/78/51/03/1097785103.db2.gz BSXXOAXRUYAGHK-UHFFFAOYSA-N 0 3 320.392 3.247 20 10 DGCDHN COC(=O)[C@H](C(C)C)N(C)Cc1c(O)ccc2ccccc21 ZINC001231591173 1097786925 /nfs/dbraw/zinc/78/69/25/1097786925.db2.gz WUWUXQGVYAAFAB-KRWDZBQOSA-N 0 3 301.386 3.175 20 10 DGCDHN Cc1cccc(CN2CCC[C@H]2C(=O)Nc2ccccc2)c1O ZINC001231595301 1097788285 /nfs/dbraw/zinc/78/82/85/1097788285.db2.gz VWEXZNAMCFBIHU-KRWDZBQOSA-N 0 3 310.397 3.304 20 10 DGCDHN Cc1cc(C)c(CN2CCc3cc4c(cc3C2)OCO4)c(O)c1 ZINC001231841949 1097859967 /nfs/dbraw/zinc/85/99/67/1097859967.db2.gz HUKXTZRVCWKKKP-UHFFFAOYSA-N 0 3 311.381 3.296 20 10 DGCDHN COc1cc(N(C)C)ccc1CN1CCC(OC(C)C)CC1 ZINC001231853964 1097865828 /nfs/dbraw/zinc/86/58/28/1097865828.db2.gz VJIQYJKSOHCSPZ-UHFFFAOYSA-N 0 3 306.450 3.151 20 10 DGCDHN COc1cc([O-])c(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC001232265340 1097986270 /nfs/dbraw/zinc/98/62/70/1097986270.db2.gz UNMJRGIYXBBLNE-CQSZACIVSA-N 0 3 324.852 3.114 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(O)c3ncccc13)CC2 ZINC001232277187 1097990083 /nfs/dbraw/zinc/99/00/83/1097990083.db2.gz LXJATHRUDQABJM-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(O)c3ncccc13)CC2 ZINC001232277187 1097990088 /nfs/dbraw/zinc/99/00/88/1097990088.db2.gz LXJATHRUDQABJM-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN COC(=O)c1c(CN2CCC(C)CC2)c2ccccc2n1C ZINC001232401478 1098029196 /nfs/dbraw/zinc/02/91/96/1098029196.db2.gz LGSXPRSYHZTBMA-UHFFFAOYSA-N 0 3 300.402 3.197 20 10 DGCDHN COC(=O)c1c(CN2CCC[C@H](CF)C2)c2ccccc2n1C ZINC001232407419 1098030413 /nfs/dbraw/zinc/03/04/13/1098030413.db2.gz OONMDABTEQWWNJ-CYBMUJFWSA-N 0 3 318.392 3.146 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2CC(N3CCC(F)CC3)C2)c1 ZINC001233285993 1098275276 /nfs/dbraw/zinc/27/52/76/1098275276.db2.gz ADMASHRNCKNHJV-UHFFFAOYSA-N 0 3 320.452 3.308 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c1[O-] ZINC001233287829 1098277340 /nfs/dbraw/zinc/27/73/40/1098277340.db2.gz JCQDULHTRRYGST-BZNIZROVSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c1[O-] ZINC001233287829 1098277343 /nfs/dbraw/zinc/27/73/43/1098277343.db2.gz JCQDULHTRRYGST-BZNIZROVSA-N 0 3 313.825 3.037 20 10 DGCDHN C[C@]1(O)CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726703 1098416920 /nfs/dbraw/zinc/41/69/20/1098416920.db2.gz GMIGFXTXSJNDDW-AWEZNQCLSA-N 0 3 319.323 3.028 20 10 DGCDHN C[C@]1(O)CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726703 1098416923 /nfs/dbraw/zinc/41/69/23/1098416923.db2.gz GMIGFXTXSJNDDW-AWEZNQCLSA-N 0 3 319.323 3.028 20 10 DGCDHN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cccc1OC(F)(F)F ZINC001233768519 1098427073 /nfs/dbraw/zinc/42/70/73/1098427073.db2.gz SOVMWCMVNJSHMK-DCAQKATOSA-N 0 3 305.271 3.223 20 10 DGCDHN [O-]c1c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cccc1OC(F)(F)F ZINC001233768519 1098427079 /nfs/dbraw/zinc/42/70/79/1098427079.db2.gz SOVMWCMVNJSHMK-DCAQKATOSA-N 0 3 305.271 3.223 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4C[C@@H]4[C@@H](F)C3)c2c1 ZINC001234526352 1098581277 /nfs/dbraw/zinc/58/12/77/1098581277.db2.gz UDUCONZQCOWICA-NUTKFTJISA-N 0 3 301.361 3.344 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4C[C@@H]4[C@@H](F)C3)c2c1 ZINC001234526352 1098581282 /nfs/dbraw/zinc/58/12/82/1098581282.db2.gz UDUCONZQCOWICA-NUTKFTJISA-N 0 3 301.361 3.344 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)c2c1 ZINC001234561922 1098600578 /nfs/dbraw/zinc/60/05/78/1098600578.db2.gz GIGWESMNQXTRSY-AUUYWEPGSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)c2c1 ZINC001234561922 1098600580 /nfs/dbraw/zinc/60/05/80/1098600580.db2.gz GIGWESMNQXTRSY-AUUYWEPGSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCCC[C@H]3C(C)=O)c2c1 ZINC001234562516 1098601699 /nfs/dbraw/zinc/60/16/99/1098601699.db2.gz OWDDDVYSJVIDQA-SFHVURJKSA-N 0 3 313.397 3.498 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C(C)=O)c2c1 ZINC001234562516 1098601706 /nfs/dbraw/zinc/60/17/06/1098601706.db2.gz OWDDDVYSJVIDQA-SFHVURJKSA-N 0 3 313.397 3.498 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@H]3C(C)=O)c2c1 ZINC001234562516 1098601715 /nfs/dbraw/zinc/60/17/15/1098601715.db2.gz OWDDDVYSJVIDQA-SFHVURJKSA-N 0 3 313.397 3.498 20 10 DGCDHN CCCCOC[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657540 1098634597 /nfs/dbraw/zinc/63/45/97/1098634597.db2.gz DSLRKUCRTLLICT-KRWDZBQOSA-N 0 3 320.477 3.413 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H](C)c3ccccn3)cc2)CC1 ZINC001234657068 1098635245 /nfs/dbraw/zinc/63/52/45/1098635245.db2.gz AQINPUQOPGTLMM-INIZCTEOSA-N 0 3 311.429 3.364 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC001234660093 1098636824 /nfs/dbraw/zinc/63/68/24/1098636824.db2.gz DFHLERKAPXCEEW-MRXNPFEDSA-N 0 3 310.388 3.395 20 10 DGCDHN COC(C[N@H+](C)Cc1cccc(-c2ccccc2)c1[O-])OC ZINC001234997213 1098740447 /nfs/dbraw/zinc/74/04/47/1098740447.db2.gz VKNGCEFPWNCVAK-UHFFFAOYSA-N 0 3 301.386 3.110 20 10 DGCDHN COC(C[N@@H+](C)Cc1cccc(-c2ccccc2)c1[O-])OC ZINC001234997213 1098740459 /nfs/dbraw/zinc/74/04/59/1098740459.db2.gz VKNGCEFPWNCVAK-UHFFFAOYSA-N 0 3 301.386 3.110 20 10 DGCDHN Cn1ncc2c1CCN(Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234998357 1098741788 /nfs/dbraw/zinc/74/17/88/1098741788.db2.gz JIJDZJXTOPUXSA-UHFFFAOYSA-N 0 3 319.408 3.351 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@H]3[NH2+]C[C@H]3C2)cc1Cl ZINC001235030109 1098759262 /nfs/dbraw/zinc/75/92/62/1098759262.db2.gz GEAUKUQLOHYIPP-SWLSCSKDSA-N 0 3 308.853 3.137 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235735585 1099154209 /nfs/dbraw/zinc/15/42/09/1099154209.db2.gz IGBKRPDAIBGTOC-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235741356 1099158340 /nfs/dbraw/zinc/15/83/40/1099158340.db2.gz FHMKTXTZWVOOLD-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN CCOC(=O)N[C@H]1CCCN(Cc2cc(C(C)C)ccc2O)C1 ZINC001179909945 1099256275 /nfs/dbraw/zinc/25/62/75/1099256275.db2.gz XTYPCRFWQCZEBD-INIZCTEOSA-N 0 3 320.433 3.226 20 10 DGCDHN Nc1ccc(CN2CCN([C@@H]3CCCc4ccccc43)CC2)cc1 ZINC001236093650 1099382046 /nfs/dbraw/zinc/38/20/46/1099382046.db2.gz VUWDRIVBESVLDL-OAQYLSRUSA-N 0 3 321.468 3.464 20 10 DGCDHN CCC[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC001180429535 1099403069 /nfs/dbraw/zinc/40/30/69/1099403069.db2.gz CLLLVBQQDWXBQU-SJORKVTESA-N 0 3 307.434 3.188 20 10 DGCDHN CCC[C@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC001180429535 1099403072 /nfs/dbraw/zinc/40/30/72/1099403072.db2.gz CLLLVBQQDWXBQU-SJORKVTESA-N 0 3 307.434 3.188 20 10 DGCDHN Nc1ccc(CN2CCN(C3(c4ccccc4)CC3)CC2)cc1 ZINC001236229477 1099484360 /nfs/dbraw/zinc/48/43/60/1099484360.db2.gz BEFNPSTVKKJXHQ-UHFFFAOYSA-N 0 3 307.441 3.076 20 10 DGCDHN CC(C)(C)C[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCNCC1 ZINC001236459520 1099622748 /nfs/dbraw/zinc/62/27/48/1099622748.db2.gz RZXATYDGVZJHIJ-UHFFFAOYSA-N 0 3 312.404 3.271 20 10 DGCDHN CC(C)(C)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCNCC1 ZINC001236459520 1099622755 /nfs/dbraw/zinc/62/27/55/1099622755.db2.gz RZXATYDGVZJHIJ-UHFFFAOYSA-N 0 3 312.404 3.271 20 10 DGCDHN CC[N@H+](Cc1cc(OC)c(Br)cc1[O-])C1CC1 ZINC001236744898 1099769945 /nfs/dbraw/zinc/76/99/45/1099769945.db2.gz IJUIZFYTNBOFBF-UHFFFAOYSA-N 0 3 300.196 3.148 20 10 DGCDHN CC[N@@H+](Cc1cc(OC)c(Br)cc1[O-])C1CC1 ZINC001236744898 1099769953 /nfs/dbraw/zinc/76/99/53/1099769953.db2.gz IJUIZFYTNBOFBF-UHFFFAOYSA-N 0 3 300.196 3.148 20 10 DGCDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])C[C@H]1CC1(C)C ZINC001236770679 1099771521 /nfs/dbraw/zinc/77/15/21/1099771521.db2.gz JMLXFDHDHDLKEF-SNVBAGLBSA-N 0 3 314.223 3.338 20 10 DGCDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])C[C@H]1CC1(C)C ZINC001236770679 1099771527 /nfs/dbraw/zinc/77/15/27/1099771527.db2.gz JMLXFDHDHDLKEF-SNVBAGLBSA-N 0 3 314.223 3.338 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c([O-])c1 ZINC001236787936 1099786010 /nfs/dbraw/zinc/78/60/10/1099786010.db2.gz MGTCBBKLQAFXIU-SFHVURJKSA-N 0 3 312.413 3.393 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c([O-])c1 ZINC001236787936 1099786022 /nfs/dbraw/zinc/78/60/22/1099786022.db2.gz MGTCBBKLQAFXIU-SFHVURJKSA-N 0 3 312.413 3.393 20 10 DGCDHN CCc1ccc(C[N@H+](C)CCCC(=O)c2cccnc2)c([O-])c1 ZINC001236794790 1099790593 /nfs/dbraw/zinc/79/05/93/1099790593.db2.gz OOSQLQFFZNDCRU-UHFFFAOYSA-N 0 3 312.413 3.445 20 10 DGCDHN CCc1ccc(C[N@@H+](C)CCCC(=O)c2cccnc2)c([O-])c1 ZINC001236794790 1099790595 /nfs/dbraw/zinc/79/05/95/1099790595.db2.gz OOSQLQFFZNDCRU-UHFFFAOYSA-N 0 3 312.413 3.445 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC001236815896 1099803261 /nfs/dbraw/zinc/80/32/61/1099803261.db2.gz PGSFYTVAFRKICK-MRXNPFEDSA-N 0 3 313.397 3.145 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC001236815896 1099803269 /nfs/dbraw/zinc/80/32/69/1099803269.db2.gz PGSFYTVAFRKICK-MRXNPFEDSA-N 0 3 313.397 3.145 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001236827919 1099812060 /nfs/dbraw/zinc/81/20/60/1099812060.db2.gz WOVLEAXLJOOCEM-OAHLLOKOSA-N 0 3 311.303 3.045 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001236827919 1099812070 /nfs/dbraw/zinc/81/20/70/1099812070.db2.gz WOVLEAXLJOOCEM-OAHLLOKOSA-N 0 3 311.303 3.045 20 10 DGCDHN Cc1noc([C@@H]2CC[N@H+](Cc3cc4ccccc4cc3[O-])C2)n1 ZINC001236833777 1099820760 /nfs/dbraw/zinc/82/07/60/1099820760.db2.gz QCXBYFJYNSYKEB-OAHLLOKOSA-N 0 3 309.369 3.226 20 10 DGCDHN Cc1noc([C@@H]2CC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)n1 ZINC001236833777 1099820768 /nfs/dbraw/zinc/82/07/68/1099820768.db2.gz QCXBYFJYNSYKEB-OAHLLOKOSA-N 0 3 309.369 3.226 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237050578 1099945641 /nfs/dbraw/zinc/94/56/41/1099945641.db2.gz CLFBULSEIHDSFX-CQSZACIVSA-N 0 3 305.418 3.291 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237050578 1099945655 /nfs/dbraw/zinc/94/56/55/1099945655.db2.gz CLFBULSEIHDSFX-CQSZACIVSA-N 0 3 305.418 3.291 20 10 DGCDHN CO[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237122017 1099982363 /nfs/dbraw/zinc/98/23/63/1099982363.db2.gz DLOUVCWKCXSIAV-LLVKDONJSA-N 0 3 319.323 3.292 20 10 DGCDHN CO[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237122017 1099982369 /nfs/dbraw/zinc/98/23/69/1099982369.db2.gz DLOUVCWKCXSIAV-LLVKDONJSA-N 0 3 319.323 3.292 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001237138163 1099988332 /nfs/dbraw/zinc/98/83/32/1099988332.db2.gz USGBMGPTTBIBJM-CQSZACIVSA-N 0 3 321.314 3.098 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001237138163 1099988345 /nfs/dbraw/zinc/98/83/45/1099988345.db2.gz USGBMGPTTBIBJM-CQSZACIVSA-N 0 3 321.314 3.098 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@@H]1O ZINC001237138690 1099990887 /nfs/dbraw/zinc/99/08/87/1099990887.db2.gz XXLLJDWBHNAHDK-GWCFXTLKSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@@H]1O ZINC001237138690 1099990895 /nfs/dbraw/zinc/99/08/95/1099990895.db2.gz XXLLJDWBHNAHDK-GWCFXTLKSA-N 0 3 303.324 3.004 20 10 DGCDHN CCN(Cc1n[nH]c2cc(OC)ccc21)Cc1ccccc1O ZINC001237387047 1100105294 /nfs/dbraw/zinc/10/52/94/1100105294.db2.gz BSNOHYOOZIATCQ-UHFFFAOYSA-N 0 3 311.385 3.299 20 10 DGCDHN COc1ccc(CC[N@H+](C)Cc2c(C)cccc2[O-])cc1OC ZINC001237483685 1100138838 /nfs/dbraw/zinc/13/88/38/1100138838.db2.gz QWNOIAJBTHIFBF-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1ccc(CC[N@@H+](C)Cc2c(C)cccc2[O-])cc1OC ZINC001237483685 1100138841 /nfs/dbraw/zinc/13/88/41/1100138841.db2.gz QWNOIAJBTHIFBF-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCCN(c2ncccc2C)CC1 ZINC001237489513 1100141563 /nfs/dbraw/zinc/14/15/63/1100141563.db2.gz IFSHUSLDTPKEAW-UHFFFAOYSA-N 0 3 311.429 3.116 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCCN(c2ncccc2C)CC1 ZINC001237489513 1100141566 /nfs/dbraw/zinc/14/15/66/1100141566.db2.gz IFSHUSLDTPKEAW-UHFFFAOYSA-N 0 3 311.429 3.116 20 10 DGCDHN Cc1cccc(O[C@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237494188 1100144859 /nfs/dbraw/zinc/14/48/59/1100144859.db2.gz GDKQSENISZQZHA-INIZCTEOSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237494188 1100144863 /nfs/dbraw/zinc/14/48/63/1100144863.db2.gz GDKQSENISZQZHA-INIZCTEOSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001237494845 1100145228 /nfs/dbraw/zinc/14/52/28/1100145228.db2.gz LTQAXSKAFUGUNP-MRXNPFEDSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001237494845 1100145233 /nfs/dbraw/zinc/14/52/33/1100145233.db2.gz LTQAXSKAFUGUNP-MRXNPFEDSA-N 0 3 312.413 3.447 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@@H]1O ZINC001237642136 1100199165 /nfs/dbraw/zinc/19/91/65/1100199165.db2.gz ZXBRRNODPHSBSK-SGTLLEGYSA-N 0 3 301.361 3.011 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@@H]1O ZINC001237642136 1100199168 /nfs/dbraw/zinc/19/91/68/1100199168.db2.gz ZXBRRNODPHSBSK-SGTLLEGYSA-N 0 3 301.361 3.011 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCCOCC1 ZINC001237641107 1100199896 /nfs/dbraw/zinc/19/98/96/1100199896.db2.gz LXLAHMWZVXSCHG-UHFFFAOYSA-N 0 3 301.361 3.421 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCCOCC1 ZINC001237641107 1100199899 /nfs/dbraw/zinc/19/98/99/1100199899.db2.gz LXLAHMWZVXSCHG-UHFFFAOYSA-N 0 3 301.361 3.421 20 10 DGCDHN COc1cc(CN(C)Cc2cccc(F)c2)c(O)c(OC)c1 ZINC001237674417 1100210603 /nfs/dbraw/zinc/21/06/03/1100210603.db2.gz GQGKXXPKQKVPOA-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN COC1CC[NH+](Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237676549 1100210765 /nfs/dbraw/zinc/21/07/65/1100210765.db2.gz KPDNVUTWFZYYFV-UHFFFAOYSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCCOC2)cc1Br ZINC001237684183 1100214931 /nfs/dbraw/zinc/21/49/31/1100214931.db2.gz HPBCBLIVUAFZLJ-LBPRGKRZSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCCOC2)cc1Br ZINC001237684183 1100214935 /nfs/dbraw/zinc/21/49/35/1100214935.db2.gz HPBCBLIVUAFZLJ-LBPRGKRZSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc(F)cc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1O ZINC001238059061 1100346217 /nfs/dbraw/zinc/34/62/17/1100346217.db2.gz ZRRRVRSKQREAGG-ZYHUDNBSSA-N 0 3 309.278 3.420 20 10 DGCDHN COc1cc(CN(C)Cc2cc(F)cc(C)c2O)cc(OC)c1 ZINC001238063544 1100348776 /nfs/dbraw/zinc/34/87/76/1100348776.db2.gz YIFULVHOQRMWFO-UHFFFAOYSA-N 0 3 319.376 3.489 20 10 DGCDHN CCCN(Cc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001191289957 1100444180 /nfs/dbraw/zinc/44/41/80/1100444180.db2.gz WFQPOTYZJHHEMS-UHFFFAOYSA-N 0 3 320.433 3.224 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001191289957 1100444187 /nfs/dbraw/zinc/44/41/87/1100444187.db2.gz WFQPOTYZJHHEMS-UHFFFAOYSA-N 0 3 320.433 3.224 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001191289957 1100444191 /nfs/dbraw/zinc/44/41/91/1100444191.db2.gz WFQPOTYZJHHEMS-UHFFFAOYSA-N 0 3 320.433 3.224 20 10 DGCDHN CC1(C)CO[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC001192012751 1100561355 /nfs/dbraw/zinc/56/13/55/1100561355.db2.gz JXWSEVNAYDYOAR-DLBZAZTESA-N 0 3 319.445 3.188 20 10 DGCDHN CC1(C)CO[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC001192012751 1100561357 /nfs/dbraw/zinc/56/13/57/1100561357.db2.gz JXWSEVNAYDYOAR-DLBZAZTESA-N 0 3 319.445 3.188 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(C)cc2)c([O-])c1 ZINC001249201321 1105246061 /nfs/dbraw/zinc/24/60/61/1105246061.db2.gz OMZQOWFLUOGJEP-UHFFFAOYSA-N 0 3 313.397 3.048 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)c([O-])c1 ZINC001249201321 1105246066 /nfs/dbraw/zinc/24/60/66/1105246066.db2.gz OMZQOWFLUOGJEP-UHFFFAOYSA-N 0 3 313.397 3.048 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3[C@@H]4CC[C@H]3CC(=O)C4)ccc2O1 ZINC001249230765 1105252489 /nfs/dbraw/zinc/25/24/89/1105252489.db2.gz SWQJHLYJAIWQLO-OKILXGFUSA-N 0 3 313.397 3.272 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3[C@@H]4CC[C@H]3CC(=O)C4)ccc2O1 ZINC001249230765 1105252492 /nfs/dbraw/zinc/25/24/92/1105252492.db2.gz SWQJHLYJAIWQLO-OKILXGFUSA-N 0 3 313.397 3.272 20 10 DGCDHN CCN1CCc2ccc(C[N@@H+]3CCc4cccc([O-])c4C3)cc21 ZINC001249670727 1105350301 /nfs/dbraw/zinc/35/03/01/1105350301.db2.gz AWQUCXCXBQNFNZ-UHFFFAOYSA-N 0 3 308.425 3.333 20 10 DGCDHN CCN1CCc2ccc(C[N@H+]3CCc4cccc([O-])c4C3)cc21 ZINC001249670727 1105350310 /nfs/dbraw/zinc/35/03/10/1105350310.db2.gz AWQUCXCXBQNFNZ-UHFFFAOYSA-N 0 3 308.425 3.333 20 10 DGCDHN CCN(Cc1cnc(Cl)c(OC)c1)Cc1ccccc1O ZINC001249930954 1105408759 /nfs/dbraw/zinc/40/87/59/1105408759.db2.gz CBVMSBQVVXHXOJ-UHFFFAOYSA-N 0 3 306.793 3.471 20 10 DGCDHN CCN1CCN(c2ccc(Cc3ccc(N(C)C)cc3)cc2)CC1 ZINC001250432120 1105514803 /nfs/dbraw/zinc/51/48/03/1105514803.db2.gz VQAHRKNPMNNXKU-UHFFFAOYSA-N 0 3 323.484 3.485 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](O)CCOCc1ccccc1)c1ccccc1[O-] ZINC001253295355 1105921380 /nfs/dbraw/zinc/92/13/80/1105921380.db2.gz YXPCELQOIFNYBM-NVXWUHKLSA-N 0 3 315.413 3.011 20 10 DGCDHN CCCC[C@@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001255334456 1106225261 /nfs/dbraw/zinc/22/52/61/1106225261.db2.gz RJCPDYCIHFAZRS-OAHLLOKOSA-N 0 3 306.450 3.405 20 10 DGCDHN CCOc1ccc(N2CCN([C@@H]3CCCSC3)CC2)cc1 ZINC001257682916 1106621322 /nfs/dbraw/zinc/62/13/22/1106621322.db2.gz KRJRZECSMDLIAV-MRXNPFEDSA-N 0 3 306.475 3.103 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](C1CCN(c3ccccc3)CC1)CC2 ZINC001258515015 1106792984 /nfs/dbraw/zinc/79/29/84/1106792984.db2.gz CIQJQHQOZRWZDY-UHFFFAOYSA-N 0 3 308.425 3.419 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](C1CCN(c3ccccc3)CC1)CC2 ZINC001258515015 1106792998 /nfs/dbraw/zinc/79/29/98/1106792998.db2.gz CIQJQHQOZRWZDY-UHFFFAOYSA-N 0 3 308.425 3.419 20 10 DGCDHN C[C@@H](C[C@H](O)c1ccco1)NCc1cc(F)c(N(C)C)cc1F ZINC001261787872 1107529199 /nfs/dbraw/zinc/52/91/99/1107529199.db2.gz DMPUJWJGDMFDGD-ZBEGNZNMSA-N 0 3 324.371 3.226 20 10 DGCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090077 1111165793 /nfs/dbraw/zinc/16/57/93/1111165793.db2.gz XILKWSJLWZRTEL-OKILXGFUSA-N 0 3 312.413 3.034 20 10 DGCDHN CCCC[C@@H](COC)NCc1cc(F)c(N(C)C)cc1F ZINC001308278063 1111410021 /nfs/dbraw/zinc/41/00/21/1111410021.db2.gz XKCVUSVFNDLHKW-ZDUSSCGKSA-N 0 3 300.393 3.326 20 10 DGCDHN CCCOc1ccc(CN[C@H](C(=O)N(C)CC)C(C)C)cc1C ZINC001308412297 1111426652 /nfs/dbraw/zinc/42/66/52/1111426652.db2.gz XEFNHWWQJRIIIK-SFHVURJKSA-N 0 3 320.477 3.376 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000103855000 432013102 /nfs/dbraw/zinc/01/31/02/432013102.db2.gz KCRGDHPHKLFOER-INIZCTEOSA-N 0 3 300.402 3.220 20 10 DGCDHN C[C@@H](NCCC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000164964485 432052431 /nfs/dbraw/zinc/05/24/31/432052431.db2.gz HJVNWVRJQHKTRN-OAHLLOKOSA-N 0 3 311.429 3.432 20 10 DGCDHN COCCN(Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000179560462 432063091 /nfs/dbraw/zinc/06/30/91/432063091.db2.gz XFXXNRSKRNHFEX-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)C2CCN(CCC)CC2)c([O-])c1 ZINC000092165735 193169746 /nfs/dbraw/zinc/16/97/46/193169746.db2.gz PECVGKQVORKVNT-UHFFFAOYSA-N 0 3 320.477 3.487 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)C2CCN(CCC)CC2)c([O-])c1 ZINC000092165735 193169748 /nfs/dbraw/zinc/16/97/48/193169748.db2.gz PECVGKQVORKVNT-UHFFFAOYSA-N 0 3 320.477 3.487 20 10 DGCDHN C[C@@H]([NH2+]CC1CCN(C2CC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000278420781 296120774 /nfs/dbraw/zinc/12/07/74/296120774.db2.gz INWNBUCAHVPLGD-LLVKDONJSA-N 0 3 310.388 3.195 20 10 DGCDHN O=C1CCC(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000290069095 296315857 /nfs/dbraw/zinc/31/58/57/296315857.db2.gz PXGJSSHRRJRLPY-GOSISDBHSA-N 0 3 317.429 3.133 20 10 DGCDHN O=C1CCC(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000290069095 296315858 /nfs/dbraw/zinc/31/58/58/296315858.db2.gz PXGJSSHRRJRLPY-GOSISDBHSA-N 0 3 317.429 3.133 20 10 DGCDHN COCC[C@H](NCc1cccc(OC)c1O)c1ccc(C)o1 ZINC000272378690 130024653 /nfs/dbraw/zinc/02/46/53/130024653.db2.gz YEDAXPQTNLVPHE-AWEZNQCLSA-N 0 3 305.374 3.170 20 10 DGCDHN CCC[C@](C)(N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000272483882 130034673 /nfs/dbraw/zinc/03/46/73/130034673.db2.gz RZBIORLNMYCTQL-IBGZPJMESA-N 0 3 317.477 3.057 20 10 DGCDHN C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccccc1[O-] ZINC000272846929 130068974 /nfs/dbraw/zinc/06/89/74/130068974.db2.gz KLKKSCDLNRYNFR-OAHLLOKOSA-N 0 3 310.441 3.142 20 10 DGCDHN CCOCc1cc(CN[C@]2(C)CCO[C@@H]2C2CC2)ccc1OC ZINC000273167535 130094602 /nfs/dbraw/zinc/09/46/02/130094602.db2.gz VFRKSPMSIJHTHJ-RTBURBONSA-N 0 3 319.445 3.279 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273449167 130123509 /nfs/dbraw/zinc/12/35/09/130123509.db2.gz FONMVEDPLFZMCT-XJKSGUPXSA-N 0 3 303.377 3.094 20 10 DGCDHN C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273486763 130127452 /nfs/dbraw/zinc/12/74/52/130127452.db2.gz NHVYBQDZANUGEQ-SQHYZVFZSA-N 0 3 309.475 3.079 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c([O-])c1C ZINC000273490569 130128156 /nfs/dbraw/zinc/12/81/56/130128156.db2.gz OEOKPXCUMVNUBG-JKSUJKDBSA-N 0 3 311.429 3.334 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000273516690 130130244 /nfs/dbraw/zinc/13/02/44/130130244.db2.gz SPANMGQDCXYVSB-GFCCVEGCSA-N 0 3 316.357 3.202 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000273548803 130135263 /nfs/dbraw/zinc/13/52/63/130135263.db2.gz ZXICVYUDXANHBG-ZBEGNZNMSA-N 0 3 321.804 3.438 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCN(C)CC(F)(F)F)c([O-])c1C ZINC000273610844 130143429 /nfs/dbraw/zinc/14/34/29/130143429.db2.gz VTIJERXHOZLFRR-LBPRGKRZSA-N 0 3 304.356 3.154 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1[O-] ZINC000273692956 130153963 /nfs/dbraw/zinc/15/39/63/130153963.db2.gz BOQYNNNJIMSVIN-CYBMUJFWSA-N 0 3 311.809 3.246 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])[C@]12CCCO2 ZINC000274120551 130208487 /nfs/dbraw/zinc/20/84/87/130208487.db2.gz AJZJCTXAVKGPIK-ITQYTPKQSA-N 0 3 319.445 3.386 20 10 DGCDHN CC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000274736606 130257863 /nfs/dbraw/zinc/25/78/63/130257863.db2.gz DHTWYJNTNPULFB-DOTOQJQBSA-N 0 3 303.377 3.176 20 10 DGCDHN C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc(F)ccc1[O-] ZINC000284527183 131089478 /nfs/dbraw/zinc/08/94/78/131089478.db2.gz ZRMQKHPXRNCUEG-VIFPVBQESA-N 0 3 312.291 3.379 20 10 DGCDHN Cc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1[O-] ZINC000284632781 131098563 /nfs/dbraw/zinc/09/85/63/131098563.db2.gz NHUCQWUHBHOZCJ-YJBOKZPZSA-N 0 3 315.417 3.098 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c([O-])c1 ZINC000288557535 131331224 /nfs/dbraw/zinc/33/12/24/131331224.db2.gz MAMYWGZFIRJZCJ-KUHUBIRLSA-N 0 3 315.413 3.393 20 10 DGCDHN CCCN(Cc1cnc([C@@H](C)O)s1)Cc1ccccc1O ZINC000289368179 131380144 /nfs/dbraw/zinc/38/01/44/131380144.db2.gz OTVSZNRGYIQJPH-GFCCVEGCSA-N 0 3 306.431 3.314 20 10 DGCDHN COc1cccc(CNCc2ccc3c(c2)CC(C)(C)O3)c1O ZINC000289456617 131387654 /nfs/dbraw/zinc/38/76/54/131387654.db2.gz NVBANUBFRDEBAI-UHFFFAOYSA-N 0 3 313.397 3.404 20 10 DGCDHN COc1cccc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c1[O-] ZINC000289456617 131387657 /nfs/dbraw/zinc/38/76/57/131387657.db2.gz NVBANUBFRDEBAI-UHFFFAOYSA-N 0 3 313.397 3.404 20 10 DGCDHN Cc1nnc(CCNCc2ccc(N3CCCCC3)cc2)s1 ZINC000289807425 131418126 /nfs/dbraw/zinc/41/81/26/131418126.db2.gz LKIZXWWZENFBCT-UHFFFAOYSA-N 0 3 316.474 3.169 20 10 DGCDHN COc1ccc(N2CCCN(CCOC(C)(C)C)CC2)cc1 ZINC000068322629 400252159 /nfs/dbraw/zinc/25/21/59/400252159.db2.gz WIXGANHQIFVVFA-UHFFFAOYSA-N 0 3 306.450 3.022 20 10 DGCDHN Cn1cc(C[C@@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)cn1 ZINC000083113895 401111024 /nfs/dbraw/zinc/11/10/24/401111024.db2.gz KFFYJXOBQJWASQ-HNNXBMFYSA-N 0 3 321.424 3.344 20 10 DGCDHN Cn1cc(C[C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)cn1 ZINC000083113895 401111030 /nfs/dbraw/zinc/11/10/30/401111030.db2.gz KFFYJXOBQJWASQ-HNNXBMFYSA-N 0 3 321.424 3.344 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086254091 401177069 /nfs/dbraw/zinc/17/70/69/401177069.db2.gz XABHNMZNVWVTGY-INIZCTEOSA-N 0 3 319.836 3.128 20 10 DGCDHN CN(Cc1ccccc1O)C(=O)c1cccc(CN2CCCC2)c1 ZINC000066046894 401291136 /nfs/dbraw/zinc/29/11/36/401291136.db2.gz UDLQDDPOONLEIZ-UHFFFAOYSA-N 0 3 324.424 3.260 20 10 DGCDHN COCc1ccc([C@H]2CCCN2Cc2cccc(OC)c2O)o1 ZINC000137064488 432169275 /nfs/dbraw/zinc/16/92/75/432169275.db2.gz YOGBZYMNVUJMJD-OAHLLOKOSA-N 0 3 317.385 3.477 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@@H]2c2cccn2C)cc1OC ZINC000179598497 228352997 /nfs/dbraw/zinc/35/29/97/228352997.db2.gz SBCMQCHAARZWGO-OAHLLOKOSA-N 0 3 316.401 3.085 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c([O-])c1 ZINC000184988850 228387807 /nfs/dbraw/zinc/38/78/07/228387807.db2.gz VHGJXIJJHDAYKI-CQSZACIVSA-N 0 3 308.385 3.132 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000291653108 274114756 /nfs/dbraw/zinc/11/47/56/274114756.db2.gz URVDAUYQYGECAK-QGZVFWFLSA-N 0 3 319.426 3.040 20 10 DGCDHN C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000183613157 274523494 /nfs/dbraw/zinc/52/34/94/274523494.db2.gz YAPIDBDMKVXHEM-GRDNDAEWSA-N 0 3 310.397 3.237 20 10 DGCDHN CCOc1cccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1[O-] ZINC000368236712 276379654 /nfs/dbraw/zinc/37/96/54/276379654.db2.gz VRZQSTGWHLWBTI-MRXNPFEDSA-N 0 3 305.418 3.039 20 10 DGCDHN CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291624622 279234314 /nfs/dbraw/zinc/23/43/14/279234314.db2.gz RWOGZJZBIJASHA-CQSZACIVSA-N 0 3 323.433 3.189 20 10 DGCDHN CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291624622 279234315 /nfs/dbraw/zinc/23/43/15/279234315.db2.gz RWOGZJZBIJASHA-CQSZACIVSA-N 0 3 323.433 3.189 20 10 DGCDHN CC(C)n1ncc2cc(CN(C)Cc3ccccc3O)cnc21 ZINC000111236337 431197799 /nfs/dbraw/zinc/19/77/99/431197799.db2.gz HGJBHQPHOWSQOV-UHFFFAOYSA-N 0 3 310.401 3.350 20 10 DGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000071004829 431269291 /nfs/dbraw/zinc/26/92/91/431269291.db2.gz DUZNXDSBNPXLFM-UHFFFAOYSA-N 0 3 314.404 3.294 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCCCC1 ZINC000076074234 431525287 /nfs/dbraw/zinc/52/52/87/431525287.db2.gz LIMHURPOIQMMJB-HNNXBMFYSA-N 0 3 304.434 3.005 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCCCC1 ZINC000076074234 431525292 /nfs/dbraw/zinc/52/52/92/431525292.db2.gz LIMHURPOIQMMJB-HNNXBMFYSA-N 0 3 304.434 3.005 20 10 DGCDHN Cn1cnnc1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000029539925 431725519 /nfs/dbraw/zinc/72/55/19/431725519.db2.gz IQRKGBQMNZFRBU-UHFFFAOYSA-N 0 3 322.412 3.054 20 10 DGCDHN c1cc2c(o1)CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000120781689 431733360 /nfs/dbraw/zinc/73/33/60/431733360.db2.gz GNQRHMABUMRBPU-SFHVURJKSA-N 0 3 312.413 3.283 20 10 DGCDHN CCCOc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c([O-])c1 ZINC000093597915 431915913 /nfs/dbraw/zinc/91/59/13/431915913.db2.gz UVEPABHFFXGBBC-INIZCTEOSA-N 0 3 318.461 3.099 20 10 DGCDHN CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccccc1[O-] ZINC000183330133 432283831 /nfs/dbraw/zinc/28/38/31/432283831.db2.gz COZBTXDJQYXLFH-KRWDZBQOSA-N 0 3 312.413 3.092 20 10 DGCDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000183455451 432295108 /nfs/dbraw/zinc/29/51/08/432295108.db2.gz GTCRHFJINJXJFT-HNNXBMFYSA-N 0 3 324.424 3.348 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000270606074 432263033 /nfs/dbraw/zinc/26/30/33/432263033.db2.gz BRSAUIUNORJHCH-YOEHRIQHSA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000183631407 432311423 /nfs/dbraw/zinc/31/14/23/432311423.db2.gz LKKIGOQOWIENGB-DOTOQJQBSA-N 0 3 324.424 3.092 20 10 DGCDHN CCc1nc([C@H](C)N[C@H](CC)c2ccc(N(C)C)cc2)n[nH]1 ZINC000271443600 432397327 /nfs/dbraw/zinc/39/73/27/432397327.db2.gz FKTXFCXTMJXBLY-SWLSCSKDSA-N 0 3 301.438 3.235 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000271952788 432432033 /nfs/dbraw/zinc/43/20/33/432432033.db2.gz FATGXXDIXAAZMG-WBVHZDCISA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@H](NCCOc1ncccc1F)c1ccc(N(C)C)cc1 ZINC000271554741 432421320 /nfs/dbraw/zinc/42/13/20/432421320.db2.gz VMUHKGWXIOHKBN-ZDUSSCGKSA-N 0 3 303.381 3.016 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1[O-] ZINC000271713670 432423047 /nfs/dbraw/zinc/42/30/47/432423047.db2.gz OTTVJHXODNGPFM-RHSMWYFYSA-N 0 3 319.376 3.012 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@@H](OCC(C)C)C2)c1O ZINC000184702839 432423524 /nfs/dbraw/zinc/42/35/24/432423524.db2.gz RGKADWCWVXHXCB-CQSZACIVSA-N 0 3 313.825 3.301 20 10 DGCDHN CCOc1cccc(C[NH2+]CC2([C@H](C)CCO)CCC2)c1[O-] ZINC000271829564 432426027 /nfs/dbraw/zinc/42/60/27/432426027.db2.gz ONGMFZHGKWIJQW-CQSZACIVSA-N 0 3 307.434 3.069 20 10 DGCDHN COc1cc([O-])c(C[NH2+]C2CC(c3ccccc3)C2)cc1OC ZINC000271879937 432427065 /nfs/dbraw/zinc/42/70/65/432427065.db2.gz PEWIKIGJALVVMV-UHFFFAOYSA-N 0 3 313.397 3.445 20 10 DGCDHN CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185338444 432492748 /nfs/dbraw/zinc/49/27/48/432492748.db2.gz KEBWMMUTYWYGON-GFCCVEGCSA-N 0 3 316.376 3.383 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464121 432502268 /nfs/dbraw/zinc/50/22/68/432502268.db2.gz BWUFORWYRUTNCC-ZBFHGGJFSA-N 0 3 324.424 3.436 20 10 DGCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000193911807 432508360 /nfs/dbraw/zinc/50/83/60/432508360.db2.gz GJZYSXLPRHYIEC-QGZVFWFLSA-N 0 3 312.413 3.171 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1 ZINC000185525399 432509119 /nfs/dbraw/zinc/50/91/19/432509119.db2.gz XFOMPDLSWNJUES-GOEBONIOSA-N 0 3 315.413 3.218 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cccc(OC)c2OC)c1 ZINC000185076882 432463966 /nfs/dbraw/zinc/46/39/66/432463966.db2.gz DALCXVLAWCHSQB-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN C[C@H]([NH2+]CCN1CCc2sccc2C1)c1cc(F)ccc1[O-] ZINC000185105670 432467627 /nfs/dbraw/zinc/46/76/27/432467627.db2.gz PRHOVNCVRMMISX-LBPRGKRZSA-N 0 3 320.433 3.302 20 10 DGCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000185129483 432469697 /nfs/dbraw/zinc/46/96/97/432469697.db2.gz YXORFANWWOHOKT-CVEARBPZSA-N 0 3 315.413 3.100 20 10 DGCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185129776 432470147 /nfs/dbraw/zinc/47/01/47/432470147.db2.gz VXDPZPWAFMSLNX-JKSUJKDBSA-N 0 3 315.413 3.100 20 10 DGCDHN C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1[O-] ZINC000154066200 432470230 /nfs/dbraw/zinc/47/02/30/432470230.db2.gz IJOLHODKAIXZIT-CRAIPNDOSA-N 0 3 324.424 3.407 20 10 DGCDHN CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1Oc1ccccc1 ZINC000186161925 432562890 /nfs/dbraw/zinc/56/28/90/432562890.db2.gz URCUZOJPNNQFTQ-WDSOQIARSA-N 0 3 313.397 3.107 20 10 DGCDHN CC(=O)Nc1ccccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000155223992 432545266 /nfs/dbraw/zinc/54/52/66/432545266.db2.gz DXRVBJBYAKBLGW-UHFFFAOYSA-N 0 3 311.429 3.343 20 10 DGCDHN CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000195198051 432610755 /nfs/dbraw/zinc/61/07/55/432610755.db2.gz KSPMADURAZGFIH-GOSISDBHSA-N 0 3 323.433 3.191 20 10 DGCDHN CCC[C@]1(COC)CCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000195198051 432610758 /nfs/dbraw/zinc/61/07/58/432610758.db2.gz KSPMADURAZGFIH-GOSISDBHSA-N 0 3 323.433 3.191 20 10 DGCDHN CCO[C@H](C[NH2+]Cc1cc(OC)ccc1[O-])c1ccccc1 ZINC000195190238 432610995 /nfs/dbraw/zinc/61/09/95/432610995.db2.gz DEMSFAYXCPUBLT-GOSISDBHSA-N 0 3 301.386 3.268 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)c(OC)c1 ZINC000273302355 432580237 /nfs/dbraw/zinc/58/02/37/432580237.db2.gz BSPMFZVYDQLAKT-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273463295 432603083 /nfs/dbraw/zinc/60/30/83/432603083.db2.gz IMZFUKAJVSFDHZ-MAUKXSAKSA-N 0 3 324.424 3.152 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCn2ccnc2)c1[O-] ZINC000186926768 432638759 /nfs/dbraw/zinc/63/87/59/432638759.db2.gz IBWBBUYQEMNUBH-LLVKDONJSA-N 0 3 324.222 3.010 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCCN2CCCCC2)c1[O-] ZINC000228669965 432718998 /nfs/dbraw/zinc/71/89/98/432718998.db2.gz REUIGOYYMFRSDX-UHFFFAOYSA-N 0 3 312.841 3.020 20 10 DGCDHN CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187701382 432677965 /nfs/dbraw/zinc/67/79/65/432677965.db2.gz UPPBXTYMJZSPLP-STQMWFEESA-N 0 3 312.404 3.441 20 10 DGCDHN CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187701382 432677969 /nfs/dbraw/zinc/67/79/69/432677969.db2.gz UPPBXTYMJZSPLP-STQMWFEESA-N 0 3 312.404 3.441 20 10 DGCDHN CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187701382 432677970 /nfs/dbraw/zinc/67/79/70/432677970.db2.gz UPPBXTYMJZSPLP-STQMWFEESA-N 0 3 312.404 3.441 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(OC)cc1 ZINC000236957547 432773511 /nfs/dbraw/zinc/77/35/11/432773511.db2.gz ONZCPBCJCCTCNF-HNNXBMFYSA-N 0 3 315.369 3.370 20 10 DGCDHN COc1ccc(O)c(CN[C@H](C)c2cc(F)ccc2OC)c1 ZINC000237206145 432781859 /nfs/dbraw/zinc/78/18/59/432781859.db2.gz UWSQJDHTXDUDBQ-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2[O-])cc1O ZINC000277260170 432831691 /nfs/dbraw/zinc/83/16/91/432831691.db2.gz QKKBBYSWWJEZBE-ZDUSSCGKSA-N 0 3 301.386 3.217 20 10 DGCDHN Cc1noc(C[C@H](NCc2cccc(C)c2O)c2ccccc2)n1 ZINC000277364520 432842502 /nfs/dbraw/zinc/84/25/02/432842502.db2.gz FJIOWXIWTGYQFB-KRWDZBQOSA-N 0 3 323.396 3.466 20 10 DGCDHN C[C@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000296877234 432935124 /nfs/dbraw/zinc/93/51/24/432935124.db2.gz OBRHNVPBDITBLP-QAPCUYQASA-N 0 3 301.361 3.016 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(N)c1 ZINC000278580226 432897037 /nfs/dbraw/zinc/89/70/37/432897037.db2.gz XZZKBVBGIPKKJB-UHFFFAOYSA-N 0 3 310.445 3.286 20 10 DGCDHN CC(C)[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000278801921 432902722 /nfs/dbraw/zinc/90/27/22/432902722.db2.gz XSHYQJJRLPGMMT-QGZVFWFLSA-N 0 3 315.413 3.043 20 10 DGCDHN CC(C)[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000278801921 432902725 /nfs/dbraw/zinc/90/27/25/432902725.db2.gz XSHYQJJRLPGMMT-QGZVFWFLSA-N 0 3 315.413 3.043 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c1[O-] ZINC000278806303 432903040 /nfs/dbraw/zinc/90/30/40/432903040.db2.gz YFQZQEVZRTWXID-OAHLLOKOSA-N 0 3 321.804 3.186 20 10 DGCDHN CCN(CC)c1ccc(CNCCc2nnc(C)s2)cc1F ZINC000289778315 432974713 /nfs/dbraw/zinc/97/47/13/432974713.db2.gz JJSGYSPXEKJHCM-UHFFFAOYSA-N 0 3 322.453 3.164 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(C)cc1[O-] ZINC000279968040 432998952 /nfs/dbraw/zinc/99/89/52/432998952.db2.gz CSDFFCAZALBKIV-MRXNPFEDSA-N 0 3 313.401 3.432 20 10 DGCDHN CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000280233413 433020123 /nfs/dbraw/zinc/02/01/23/433020123.db2.gz VKSXAKOCNDAMPZ-SJLPKXTDSA-N 0 3 320.477 3.242 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000280487445 433060950 /nfs/dbraw/zinc/06/09/50/433060950.db2.gz ONCJRFICLFRQMY-FZMZJTMJSA-N 0 3 313.825 3.180 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000280487445 433060955 /nfs/dbraw/zinc/06/09/55/433060955.db2.gz ONCJRFICLFRQMY-FZMZJTMJSA-N 0 3 313.825 3.180 20 10 DGCDHN Cc1cnn([C@@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)c1 ZINC000290928690 433208330 /nfs/dbraw/zinc/20/83/30/433208330.db2.gz ORRZCCRNTRDVSL-MRXNPFEDSA-N 0 3 307.397 3.497 20 10 DGCDHN Cc1cnn([C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)c1 ZINC000290928690 433208338 /nfs/dbraw/zinc/20/83/38/433208338.db2.gz ORRZCCRNTRDVSL-MRXNPFEDSA-N 0 3 307.397 3.497 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1[O-] ZINC000374159696 433177086 /nfs/dbraw/zinc/17/70/86/433177086.db2.gz MFUINNOVCCRLKW-XYPHTWIQSA-N 0 3 305.418 3.084 20 10 DGCDHN CCOc1ccc(O)c(CN2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000290945792 433211627 /nfs/dbraw/zinc/21/16/27/433211627.db2.gz QGGQPZYWUPMDJR-AWEZNQCLSA-N 0 3 321.808 3.088 20 10 DGCDHN OC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC000291317089 433234413 /nfs/dbraw/zinc/23/44/13/433234413.db2.gz SGADJDFJIVMZTN-MRXNPFEDSA-N 0 3 324.415 3.126 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)N1CCCC1 ZINC000281546049 433308592 /nfs/dbraw/zinc/30/85/92/433308592.db2.gz ZPGLTCQNPBKDDU-HNNXBMFYSA-N 0 3 324.424 3.160 20 10 DGCDHN CN(C)c1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000281828562 433397270 /nfs/dbraw/zinc/39/72/70/433397270.db2.gz XPFQHIHHARPQRM-FQEVSTJZSA-N 0 3 310.441 3.066 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000292796031 433595863 /nfs/dbraw/zinc/59/58/63/433595863.db2.gz MWHHQNLLOJRYOT-MRXNPFEDSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000292796031 433595873 /nfs/dbraw/zinc/59/58/73/433595873.db2.gz MWHHQNLLOJRYOT-MRXNPFEDSA-N 0 3 305.418 3.039 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000282411435 433598992 /nfs/dbraw/zinc/59/89/92/433598992.db2.gz ZCNWNIVPQFDKIZ-KBPBESRZSA-N 0 3 307.434 3.474 20 10 DGCDHN Cc1noc(C2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000293491393 433757748 /nfs/dbraw/zinc/75/77/48/433757748.db2.gz NAUVSDQSXQRKQE-UHFFFAOYSA-N 0 3 314.433 3.132 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c([O-])c1 ZINC000293771085 433861129 /nfs/dbraw/zinc/86/11/29/433861129.db2.gz PPJQLAFFSGLLFD-OAHLLOKOSA-N 0 3 322.412 3.441 20 10 DGCDHN CN(C)c1ccc(CN2CCC(OCC3CC3)CC2)cc1F ZINC000378344254 434145819 /nfs/dbraw/zinc/14/58/19/434145819.db2.gz YSJWJBMDVCFKFN-UHFFFAOYSA-N 0 3 306.425 3.283 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCc2ncccc2C)c1 ZINC000294937360 434152752 /nfs/dbraw/zinc/15/27/52/434152752.db2.gz GPSWSAGJWYUZEB-CQSZACIVSA-N 0 3 300.402 3.388 20 10 DGCDHN CO[C@H](C)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000295068244 434175739 /nfs/dbraw/zinc/17/57/39/434175739.db2.gz QVBYUEBSIANOET-OAHLLOKOSA-N 0 3 315.413 3.486 20 10 DGCDHN CN(C)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000296161084 434527653 /nfs/dbraw/zinc/52/76/53/434527653.db2.gz XEQDPWJKYRYJGP-DLBZAZTESA-N 0 3 314.404 3.411 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000367684782 434554565 /nfs/dbraw/zinc/55/45/65/434554565.db2.gz LLVGFASPQICZQO-HZPDHXFCSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000367684782 434554573 /nfs/dbraw/zinc/55/45/73/434554573.db2.gz LLVGFASPQICZQO-HZPDHXFCSA-N 0 3 319.445 3.430 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1 ZINC000273585113 295168380 /nfs/dbraw/zinc/16/83/80/295168380.db2.gz NNIAIAGTRDNOHR-ZJUUUORDSA-N 0 3 307.312 3.019 20 10 DGCDHN COc1cccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1[O-] ZINC000372291843 434821231 /nfs/dbraw/zinc/82/12/31/434821231.db2.gz RQDQZRQFGNQPCZ-UHFFFAOYSA-N 0 3 323.396 3.091 20 10 DGCDHN COc1cccc([C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)OC)c1 ZINC000527924353 435017715 /nfs/dbraw/zinc/01/77/15/435017715.db2.gz GUAROTVBRGQKJW-AEFFLSMTSA-N 0 3 313.397 3.365 20 10 DGCDHN COc1cccc([C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)OC)c1 ZINC000527924356 435017725 /nfs/dbraw/zinc/01/77/25/435017725.db2.gz GUAROTVBRGQKJW-WMZOPIPTSA-N 0 3 313.397 3.365 20 10 DGCDHN COc1ccc([C@H]([NH2+]Cc2cc(F)ccc2[O-])C2CC2)cn1 ZINC000529687487 435039610 /nfs/dbraw/zinc/03/96/10/435039610.db2.gz FBEBIVKJQLRWMF-QGZVFWFLSA-N 0 3 302.349 3.176 20 10 DGCDHN CSc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1 ZINC000662586374 436365236 /nfs/dbraw/zinc/36/52/36/436365236.db2.gz TVAIHVCXJCKYKT-UHFFFAOYSA-N 0 3 312.438 3.331 20 10 DGCDHN C[C@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCCC1 ZINC000530109160 313321522 /nfs/dbraw/zinc/32/15/22/313321522.db2.gz WTVOKDWRFHKUPO-ACJLOTCBSA-N 0 3 319.445 3.466 20 10 DGCDHN C[C@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCCC1 ZINC000530109160 313321525 /nfs/dbraw/zinc/32/15/25/313321525.db2.gz WTVOKDWRFHKUPO-ACJLOTCBSA-N 0 3 319.445 3.466 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccccc1[O-] ZINC000363711669 332226901 /nfs/dbraw/zinc/22/69/01/332226901.db2.gz HWVKNYWUANJVGH-QGZVFWFLSA-N 0 3 308.385 3.214 20 10 DGCDHN CC[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccccc1[O-] ZINC000363711668 332226981 /nfs/dbraw/zinc/22/69/81/332226981.db2.gz HWVKNYWUANJVGH-KRWDZBQOSA-N 0 3 308.385 3.214 20 10 DGCDHN Cc1cccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1[O-] ZINC000293806470 335117502 /nfs/dbraw/zinc/11/75/02/335117502.db2.gz DQNJRMNHVUMOFD-UHFFFAOYSA-N 0 3 311.425 3.227 20 10 DGCDHN CC[C@H](CO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000295170909 335130703 /nfs/dbraw/zinc/13/07/03/335130703.db2.gz UGCFUPDAWOCLHS-QGZVFWFLSA-N 0 3 315.413 3.174 20 10 DGCDHN CC[C@H](CO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000295170909 335130704 /nfs/dbraw/zinc/13/07/04/335130704.db2.gz UGCFUPDAWOCLHS-QGZVFWFLSA-N 0 3 315.413 3.174 20 10 DGCDHN COc1ccc([C@H](CCO)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296865827 335147094 /nfs/dbraw/zinc/14/70/94/335147094.db2.gz NTEGVVCYVKQPAQ-DLBZAZTESA-N 0 3 313.397 3.101 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@H](O)c2ccsc2)cc1 ZINC000219097438 340501692 /nfs/dbraw/zinc/50/16/92/340501692.db2.gz OMDPNIVYYQKMSQ-KRWDZBQOSA-N 0 3 304.459 3.418 20 10 DGCDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1O ZINC000289866179 500854758 /nfs/dbraw/zinc/85/47/58/500854758.db2.gz RXQPPLPRJSMJBY-CYBMUJFWSA-N 0 3 300.402 3.318 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOCc2ccccc2)c1 ZINC000185633140 534203424 /nfs/dbraw/zinc/20/34/24/534203424.db2.gz ODGKCSBTNPDGBC-CQSZACIVSA-N 0 3 301.386 3.268 20 10 DGCDHN CC(C)(C)Oc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000181128525 518892250 /nfs/dbraw/zinc/89/22/50/518892250.db2.gz TVBIVASIIDAZML-UHFFFAOYSA-N 0 3 304.365 3.393 20 10 DGCDHN CCCO[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000180180256 520284567 /nfs/dbraw/zinc/28/45/67/520284567.db2.gz KGBZQDQAAUDYJB-HNNXBMFYSA-N 0 3 323.433 3.191 20 10 DGCDHN CCCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000180180256 520284571 /nfs/dbraw/zinc/28/45/71/520284571.db2.gz KGBZQDQAAUDYJB-HNNXBMFYSA-N 0 3 323.433 3.191 20 10 DGCDHN CCCOc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c([O-])c1 ZINC000130014371 520345541 /nfs/dbraw/zinc/34/55/41/520345541.db2.gz WVZNTIPURUZBMJ-CQSZACIVSA-N 0 3 305.418 3.182 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c([O-])c1 ZINC000130014371 520345546 /nfs/dbraw/zinc/34/55/46/520345546.db2.gz WVZNTIPURUZBMJ-CQSZACIVSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cc(CNCc2ccc(N(C)C)c(F)c2)ccc1O ZINC000264936451 520722360 /nfs/dbraw/zinc/72/23/60/520722360.db2.gz DHZCHCSQRHCVNT-UHFFFAOYSA-N 0 3 318.392 3.286 20 10 DGCDHN CCOc1cccc(CN(C)Cc2ccc(OC)cc2)c1O ZINC000159858804 521332106 /nfs/dbraw/zinc/33/21/06/521332106.db2.gz OQNXBGRXAHPZGE-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CCN1CCN(c2cccc(NCc3ccccc3O)c2)CC1 ZINC000190008945 521700232 /nfs/dbraw/zinc/70/02/32/521700232.db2.gz BRLSAHMXSGWMAU-UHFFFAOYSA-N 0 3 311.429 3.146 20 10 DGCDHN CN(C)c1ccc(CNCc2cncc(Br)c2)cc1 ZINC000157845443 522209333 /nfs/dbraw/zinc/20/93/33/522209333.db2.gz AQABPCCAJHDEPX-UHFFFAOYSA-N 0 3 320.234 3.200 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(C)cc1[O-] ZINC000368446515 522718894 /nfs/dbraw/zinc/71/88/94/522718894.db2.gz KYZSEFLXRUWGDU-HFTRVMKXSA-N 0 3 305.418 3.079 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000266341613 522882865 /nfs/dbraw/zinc/88/28/65/522882865.db2.gz YLKVZFIGERBHIO-RHSMWYFYSA-N 0 3 307.340 3.272 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1 ZINC000182466278 524763723 /nfs/dbraw/zinc/76/37/23/524763723.db2.gz VEPQYZREZHKTIR-FZKQIMNGSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOc2ccccc2F)c1 ZINC000182458706 524769113 /nfs/dbraw/zinc/76/91/13/524769113.db2.gz XBRNLMFEFUUOIG-LBPRGKRZSA-N 0 3 305.349 3.270 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1[O-] ZINC000183371525 525476754 /nfs/dbraw/zinc/47/67/54/525476754.db2.gz PBGGBFNWVPBAJG-DYVFJYSZSA-N 0 3 302.393 3.485 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)c1cccc(F)c1 ZINC000267180339 525526415 /nfs/dbraw/zinc/52/64/15/525526415.db2.gz KANYPYIZICFYJA-KZULUSFZSA-N 0 3 320.383 3.243 20 10 DGCDHN Cc1cc([C@](C)(O)C[NH2+]Cc2cc(C)c(C)cc2[O-])c(C)o1 ZINC000266137663 525552697 /nfs/dbraw/zinc/55/26/97/525552697.db2.gz GEMKCHPUFVLXCZ-GOSISDBHSA-N 0 3 303.402 3.216 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc2c(cc1[O-])CCCC2 ZINC000188002176 525612556 /nfs/dbraw/zinc/61/25/56/525612556.db2.gz MAUXOPCQMKRLOT-IYOUNJFTSA-N 0 3 303.446 3.473 20 10 DGCDHN Cc1ccc([C@H](O)CNCc2ccc(N3CCCCC3)cc2)o1 ZINC000266000439 525977139 /nfs/dbraw/zinc/97/71/39/525977139.db2.gz OWUIOSKROXARIJ-GOSISDBHSA-N 0 3 314.429 3.402 20 10 DGCDHN CC(C)(CO)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccs1 ZINC000296060845 527217186 /nfs/dbraw/zinc/21/71/86/527217186.db2.gz QMHJTNUQEBDDBF-HNNXBMFYSA-N 0 3 309.406 3.442 20 10 DGCDHN CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000731869875 574560629 /nfs/dbraw/zinc/56/06/29/574560629.db2.gz PZFZCWFQVOEPPX-UHFFFAOYSA-N 0 3 318.442 3.224 20 10 DGCDHN COc1ccc(COCC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000731842830 574560008 /nfs/dbraw/zinc/56/00/08/574560008.db2.gz ICZYTVKLUHZZMN-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN COc1ccc(COCC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000731842830 574560009 /nfs/dbraw/zinc/56/00/09/574560009.db2.gz ICZYTVKLUHZZMN-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000731869875 574560630 /nfs/dbraw/zinc/56/06/30/574560630.db2.gz PZFZCWFQVOEPPX-UHFFFAOYSA-N 0 3 318.442 3.224 20 10 DGCDHN COc1ccc(N2CCCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000732198624 574568502 /nfs/dbraw/zinc/56/85/02/574568502.db2.gz ZOKUVYYULUFHCX-INIZCTEOSA-N 0 3 311.429 3.364 20 10 DGCDHN CCc1nc(CN(C)c2ccc(OCCN(C)C)cc2)cs1 ZINC000732411257 574574100 /nfs/dbraw/zinc/57/41/00/574574100.db2.gz ZBYBVALDGIFCAL-UHFFFAOYSA-N 0 3 319.474 3.282 20 10 DGCDHN CN(C)CCOc1ccc(N(C)Cc2cccc(F)c2)cc1 ZINC000732410903 574574107 /nfs/dbraw/zinc/57/41/07/574574107.db2.gz MHVSEUKDLJCAQD-UHFFFAOYSA-N 0 3 302.393 3.403 20 10 DGCDHN COc1cccc(C[NH2+]C2(c3ccccc3)CCOCC2)c1[O-] ZINC000742373523 574993670 /nfs/dbraw/zinc/99/36/70/574993670.db2.gz YMWKBVFHBGESCU-UHFFFAOYSA-N 0 3 313.397 3.196 20 10 DGCDHN CCN(CC)c1ccc(CN(C)C/C=C(/C)C(=O)OC)cc1 ZINC000748809997 575608594 /nfs/dbraw/zinc/60/85/94/575608594.db2.gz OXWKKKGHBKXNSW-QINSGFPZSA-N 0 3 304.434 3.084 20 10 DGCDHN Cn1nc(CNCCCSc2nccs2)c2ccccc21 ZINC000752265677 575829763 /nfs/dbraw/zinc/82/97/63/575829763.db2.gz NUEPMUIHVXJWHR-UHFFFAOYSA-N 0 3 318.471 3.302 20 10 DGCDHN COc1ccc(OCCN(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000726980657 576091445 /nfs/dbraw/zinc/09/14/45/576091445.db2.gz DQAVZJBCDIAQBO-UHFFFAOYSA-N 0 3 314.429 3.272 20 10 DGCDHN CCCCNC(=O)C1([NH2+]Cc2cc(F)ccc2[O-])CCCCC1 ZINC000154638463 620696131 /nfs/dbraw/zinc/69/61/31/620696131.db2.gz AVFOAKWEUKKTFS-UHFFFAOYSA-N 0 3 322.424 3.240 20 10 DGCDHN CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000111393502 620706141 /nfs/dbraw/zinc/70/61/41/620706141.db2.gz NMMKIFZAPMXREH-OAHLLOKOSA-N 0 3 322.449 3.421 20 10 DGCDHN CCSCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000892204185 617983859 /nfs/dbraw/zinc/98/38/59/617983859.db2.gz WFXTZHGMTNGIPD-GFCCVEGCSA-N 0 3 313.463 3.373 20 10 DGCDHN CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000892204185 617983862 /nfs/dbraw/zinc/98/38/62/617983862.db2.gz WFXTZHGMTNGIPD-GFCCVEGCSA-N 0 3 313.463 3.373 20 10 DGCDHN CC[C@@H]([NH2+]CC12CC(C1)CN2)c1cc(Cl)cc(Cl)c1[O-] ZINC000854226970 620786476 /nfs/dbraw/zinc/78/64/76/620786476.db2.gz KDIBESWOIHDFPY-KWCGZIOASA-N 0 3 315.244 3.492 20 10 DGCDHN Oc1ccccc1CNCc1cnc(CC(F)(F)F)s1 ZINC000892790753 618311021 /nfs/dbraw/zinc/31/10/21/618311021.db2.gz IFFNPHOKSXFTLQ-UHFFFAOYSA-N 0 3 302.321 3.243 20 10 DGCDHN [O-]c1ccccc1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892790753 618311029 /nfs/dbraw/zinc/31/10/29/618311029.db2.gz IFFNPHOKSXFTLQ-UHFFFAOYSA-N 0 3 302.321 3.243 20 10 DGCDHN COc1ccc(CNCc2ccc(C)cc2OC)c(O)c1OC ZINC000893139384 618443184 /nfs/dbraw/zinc/44/31/84/618443184.db2.gz LQJLMEGYKKVPKH-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cnn(C)c1Cl ZINC000840975219 618651311 /nfs/dbraw/zinc/65/13/11/618651311.db2.gz DWAYVNPHBSOQIW-ZDUSSCGKSA-N 0 3 320.868 3.169 20 10 DGCDHN COc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1OC ZINC000894140242 618718947 /nfs/dbraw/zinc/71/89/47/618718947.db2.gz BAHIXMHHTCAAGH-ONGXEEELSA-N 0 3 319.323 3.182 20 10 DGCDHN COc1ccc(C[NH2+]Cc2c(C)nn(C(C)C)c2C)c([O-])c1 ZINC000894186388 618725878 /nfs/dbraw/zinc/72/58/78/618725878.db2.gz VSMFZLYGWONFED-UHFFFAOYSA-N 0 3 303.406 3.085 20 10 DGCDHN COc1cc(C)cc(CN[C@@H](C)c2cnn(C(C)C)c2)c1O ZINC000894251780 618740143 /nfs/dbraw/zinc/74/01/43/618740143.db2.gz ZDCIUUFLZIGXCM-ZDUSSCGKSA-N 0 3 303.406 3.337 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c([O-])c1 ZINC000895582143 618804041 /nfs/dbraw/zinc/80/40/41/618804041.db2.gz FLPWCDBZQIVJAO-CYBMUJFWSA-N 0 3 304.415 3.237 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c([O-])c1 ZINC000895582143 618804043 /nfs/dbraw/zinc/80/40/43/618804043.db2.gz FLPWCDBZQIVJAO-CYBMUJFWSA-N 0 3 304.415 3.237 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCCOC1 ZINC000895665028 618814242 /nfs/dbraw/zinc/81/42/42/618814242.db2.gz WZMFCAIATWSUJE-RISCZKNCSA-N 0 3 313.825 3.349 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@]23CCCO3)c1[O-] ZINC000895680447 618818040 /nfs/dbraw/zinc/81/80/40/618818040.db2.gz LEAZWGPESAZIJS-ZBFHGGJFSA-N 0 3 311.809 3.246 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)c1[O-] ZINC000898064695 619210503 /nfs/dbraw/zinc/21/05/03/619210503.db2.gz JQCANATVEQNRGN-BLLLJJGKSA-N 0 3 323.820 3.103 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CC3(C2)OCCO3)c1[O-] ZINC000927001927 619255984 /nfs/dbraw/zinc/25/59/84/619255984.db2.gz QQYBRAMNQRSLMT-LLVKDONJSA-N 0 3 311.809 3.158 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1ccc(C)cc1[O-] ZINC000903269681 619749537 /nfs/dbraw/zinc/74/95/37/619749537.db2.gz AZEHAWCAFPAVOR-ULQDDVLXSA-N 0 3 320.502 3.321 20 10 DGCDHN CC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC2(CC1)OCCO2 ZINC000903269678 619749670 /nfs/dbraw/zinc/74/96/70/619749670.db2.gz YEWYDDYECUZMFA-HNNXBMFYSA-N 0 3 317.429 3.293 20 10 DGCDHN COc1nn(C)cc1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000903336732 619759683 /nfs/dbraw/zinc/75/96/83/619759683.db2.gz CJZOKKLAIWGEPF-GFCCVEGCSA-N 0 3 311.385 3.138 20 10 DGCDHN Cc1cc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000903449641 619778538 /nfs/dbraw/zinc/77/85/38/619778538.db2.gz YYANMBCZEXWNKR-KBXCAEBGSA-N 0 3 316.449 3.003 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(Cl)c1 ZINC000903983063 619848136 /nfs/dbraw/zinc/84/81/36/619848136.db2.gz BFFQXZFXJBAXAU-CMPLNLGQSA-N 0 3 322.758 3.066 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Cl)c1 ZINC000903983069 619848138 /nfs/dbraw/zinc/84/81/38/619848138.db2.gz BFFQXZFXJBAXAU-ZYHUDNBSSA-N 0 3 322.758 3.066 20 10 DGCDHN Cc1ncc2c(n1)CCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921748448 620944065 /nfs/dbraw/zinc/94/40/65/620944065.db2.gz IBFZARYASVISAW-KRWDZBQOSA-N 0 3 309.413 3.277 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccnn2C2CCC2)c1 ZINC000922217708 621007521 /nfs/dbraw/zinc/00/75/21/621007521.db2.gz VXRKBCMAXZDNGQ-LBPRGKRZSA-N 0 3 301.390 3.173 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@H](C)[C@H](CO)C2)cc1F ZINC000857061899 621053101 /nfs/dbraw/zinc/05/31/01/621053101.db2.gz WIQPMBMSOPGPBK-ZBFHGGJFSA-N 0 3 308.441 3.122 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c([O-])c1 ZINC000922814532 621102797 /nfs/dbraw/zinc/10/27/97/621102797.db2.gz XFKSXNXSLKIIIW-MRXNPFEDSA-N 0 3 305.418 3.372 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000922951454 621136578 /nfs/dbraw/zinc/13/65/78/621136578.db2.gz OIFNSUFRMQRTOE-CQSZACIVSA-N 0 3 307.434 3.474 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@](C)(O)c2ccccc2)cc1F ZINC000858137519 621156638 /nfs/dbraw/zinc/15/66/38/621156638.db2.gz SMRPDLMKMFBUCG-SFHVURJKSA-N 0 3 320.383 3.028 20 10 DGCDHN C[C@H](CNCc1cc(F)c(N(C)C)cc1F)c1nccs1 ZINC000858156397 621159688 /nfs/dbraw/zinc/15/96/88/621159688.db2.gz HFBPZFDTEIXHMN-SNVBAGLBSA-N 0 3 311.401 3.381 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2COc3ccccc32)cc1F ZINC000858165240 621160661 /nfs/dbraw/zinc/16/06/61/621160661.db2.gz PQCCBBACIYRTNV-ZDUSSCGKSA-N 0 3 318.367 3.297 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c([O-])c1 ZINC000858252240 621168609 /nfs/dbraw/zinc/16/86/09/621168609.db2.gz ZLCNBNKKOTWZFF-SFHVURJKSA-N 0 3 307.434 3.212 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(C)cc1[O-] ZINC000858541120 621203039 /nfs/dbraw/zinc/20/30/39/621203039.db2.gz SSLZATJSQCPCCU-INIZCTEOSA-N 0 3 318.461 3.390 20 10 DGCDHN CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(C)cc1[O-] ZINC000858541121 621203066 /nfs/dbraw/zinc/20/30/66/621203066.db2.gz SSLZATJSQCPCCU-MRXNPFEDSA-N 0 3 318.461 3.390 20 10 DGCDHN CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccccc1[O-] ZINC000858540628 621203154 /nfs/dbraw/zinc/20/31/54/621203154.db2.gz KFAZMBNMXLZTCE-OAHLLOKOSA-N 0 3 304.434 3.082 20 10 DGCDHN CCOc1cc(CNCc2ccc(N(C)C)cc2C)ccc1O ZINC000838948125 621302159 /nfs/dbraw/zinc/30/21/59/621302159.db2.gz DCKGWQIISGPSTJ-UHFFFAOYSA-N 0 3 314.429 3.455 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCC1OCCCO1)C1CCCC1 ZINC000754656977 621523033 /nfs/dbraw/zinc/52/30/33/621523033.db2.gz QDVBDJWCDALNLV-UHFFFAOYSA-N 0 3 305.418 3.290 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCC1OCCCO1)C1CCCC1 ZINC000754656977 621523035 /nfs/dbraw/zinc/52/30/35/621523035.db2.gz QDVBDJWCDALNLV-UHFFFAOYSA-N 0 3 305.418 3.290 20 10 DGCDHN CN(C)c1cc(F)c(CN(C[C@H]2CCOC2)C2CC2)cc1F ZINC000862218377 621562812 /nfs/dbraw/zinc/56/28/12/621562812.db2.gz KSLXAHPMUYCUIE-GFCCVEGCSA-N 0 3 310.388 3.032 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756355691 621630689 /nfs/dbraw/zinc/63/06/89/621630689.db2.gz VKYNRNFUCVPQQD-DIOULYMOSA-N 0 3 301.361 3.403 20 10 DGCDHN C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756362547 621631499 /nfs/dbraw/zinc/63/14/99/621631499.db2.gz JVCMWVUWMFLSKY-NSHDSACASA-N 0 3 321.421 3.260 20 10 DGCDHN C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CN1CCCCC1 ZINC000756434035 621638196 /nfs/dbraw/zinc/63/81/96/621638196.db2.gz HTJUVRBXVIIDHA-ZIAGYGMSSA-N 0 3 321.421 3.073 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756433736 621638285 /nfs/dbraw/zinc/63/82/85/621638285.db2.gz YGYRENBFOGVUJQ-JSGCOSHPSA-N 0 3 320.408 3.072 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756467944 621639950 /nfs/dbraw/zinc/63/99/50/621639950.db2.gz AXBNFMOACGVLGA-PSASIEDQSA-N 0 3 307.287 3.248 20 10 DGCDHN C[C@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000756461083 621640167 /nfs/dbraw/zinc/64/01/67/621640167.db2.gz VBKBWIPSKXSEFO-MQAVGNRSSA-N 0 3 313.372 3.328 20 10 DGCDHN C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000756480569 621640835 /nfs/dbraw/zinc/64/08/35/621640835.db2.gz RYUCTRATTYIORA-CYBMUJFWSA-N 0 3 300.377 3.198 20 10 DGCDHN C[C@H]([NH2+]CCN1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000756484426 621641130 /nfs/dbraw/zinc/64/11/30/621641130.db2.gz XIWKKFGACXCRHJ-ZDUSSCGKSA-N 0 3 300.377 3.245 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2c(C)cc(C)nc2OC)c1 ZINC000756536195 621645907 /nfs/dbraw/zinc/64/59/07/621645907.db2.gz RFUSVSXEOTXFOI-ZDUSSCGKSA-N 0 3 316.401 3.272 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)c2c1c(F)ccc2[O-] ZINC000756553594 621647681 /nfs/dbraw/zinc/64/76/81/621647681.db2.gz GYFSNNDIUQZLOE-OCCSQVGLSA-N 0 3 320.408 3.072 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)c2c1c(F)ccc2[O-] ZINC000756553589 621647864 /nfs/dbraw/zinc/64/78/64/621647864.db2.gz GYFSNNDIUQZLOE-JSGCOSHPSA-N 0 3 320.408 3.072 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c([O-])c1 ZINC000756741982 621661744 /nfs/dbraw/zinc/66/17/44/621661744.db2.gz ZJMHBJHTSLYUFN-BZNIZROVSA-N 0 3 307.340 3.363 20 10 DGCDHN C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000756741860 621661925 /nfs/dbraw/zinc/66/19/25/621661925.db2.gz XQDLROJHZYSICU-VFZGTOFNSA-N 0 3 311.303 3.194 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000756757529 621662395 /nfs/dbraw/zinc/66/23/95/621662395.db2.gz OMACARDKHXFAIS-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c([O-])c1 ZINC000756765779 621663243 /nfs/dbraw/zinc/66/32/43/621663243.db2.gz RBPUWQBWIMVGIV-CABCVRRESA-N 0 3 305.418 3.079 20 10 DGCDHN CC(=O)N1CC[C@@H](NCc2ccc(N(C)C)cc2)c2ccccc21 ZINC000757000998 621678149 /nfs/dbraw/zinc/67/81/49/621678149.db2.gz CXYSAXPYEMOGFM-LJQANCHMSA-N 0 3 323.440 3.340 20 10 DGCDHN CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000863543343 621682636 /nfs/dbraw/zinc/68/26/36/621682636.db2.gz MTOSVRNWGKWRGT-JIMOISOXSA-N 0 3 302.340 3.202 20 10 DGCDHN COC(=O)c1cc(CN[C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000839538788 621693046 /nfs/dbraw/zinc/69/30/46/621693046.db2.gz GOAQIBGYDXTILS-JTQLQIEISA-N 0 3 321.398 3.100 20 10 DGCDHN C[C@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCCCC1 ZINC000757659427 621731963 /nfs/dbraw/zinc/73/19/63/621731963.db2.gz XUINIBASHUJOIU-KGLIPLIRSA-N 0 3 321.421 3.216 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000758507673 621785690 /nfs/dbraw/zinc/78/56/90/621785690.db2.gz WSHUKBIDQOCDFD-GOSISDBHSA-N 0 3 319.408 3.429 20 10 DGCDHN C[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)(F)F ZINC000865712211 621981678 /nfs/dbraw/zinc/98/16/78/621981678.db2.gz YADMNMJLJUHEQE-DOMZBBRYSA-N 0 3 316.367 3.078 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c2c1c(F)ccc2[O-] ZINC000866447135 622119961 /nfs/dbraw/zinc/11/99/61/622119961.db2.gz ZDBLWWZOVMRZPC-DPBXLHMCSA-N 0 3 303.377 3.093 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1cc(F)ccc1[O-] ZINC000866563053 622138676 /nfs/dbraw/zinc/13/86/76/622138676.db2.gz JGJCBJSPIVCLTA-SJKOYZFVSA-N 0 3 300.377 3.369 20 10 DGCDHN CC[C@@H]1CN(Cc2cc(C)cc(C)c2O)CCN1CC(F)F ZINC000765719753 622283829 /nfs/dbraw/zinc/28/38/29/622283829.db2.gz YXPPCSAGYJCIKR-OAHLLOKOSA-N 0 3 312.404 3.170 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000768215680 622445913 /nfs/dbraw/zinc/44/59/13/622445913.db2.gz KYEROVHWHXLWEW-UHFFFAOYSA-N 0 3 311.381 3.396 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000768215680 622445915 /nfs/dbraw/zinc/44/59/15/622445915.db2.gz KYEROVHWHXLWEW-UHFFFAOYSA-N 0 3 311.381 3.396 20 10 DGCDHN C[C@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccccc1 ZINC000768449039 622457052 /nfs/dbraw/zinc/45/70/52/622457052.db2.gz DARQYBBEQLIJHF-ACJLOTCBSA-N 0 3 313.397 3.054 20 10 DGCDHN C[C@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccccc1 ZINC000768449039 622457054 /nfs/dbraw/zinc/45/70/54/622457054.db2.gz DARQYBBEQLIJHF-ACJLOTCBSA-N 0 3 313.397 3.054 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c([O-])c1 ZINC000769191866 622506855 /nfs/dbraw/zinc/50/68/55/622506855.db2.gz QZLHVJBIFBTIOM-UHFFFAOYSA-N 0 3 313.397 3.097 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)c([O-])c1 ZINC000769191866 622506857 /nfs/dbraw/zinc/50/68/57/622506857.db2.gz QZLHVJBIFBTIOM-UHFFFAOYSA-N 0 3 313.397 3.097 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CCOCc2ccccc2)c([O-])c1 ZINC000770305893 622619246 /nfs/dbraw/zinc/61/92/46/622619246.db2.gz MTEVCHVIHAEEBV-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CCOCc2ccccc2)c([O-])c1 ZINC000770305893 622619249 /nfs/dbraw/zinc/61/92/49/622619249.db2.gz MTEVCHVIHAEEBV-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN CCO[C@H]1C[C@@H]([N@H+](C)Cc2c([O-])cccc2OC)C12CCC2 ZINC000770351758 622624153 /nfs/dbraw/zinc/62/41/53/622624153.db2.gz KQPQYVYPOSCQHC-SJORKVTESA-N 0 3 305.418 3.180 20 10 DGCDHN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c([O-])cccc2OC)C12CCC2 ZINC000770351758 622624158 /nfs/dbraw/zinc/62/41/58/622624158.db2.gz KQPQYVYPOSCQHC-SJORKVTESA-N 0 3 305.418 3.180 20 10 DGCDHN COc1cc(O)c(CN2CC[C@@](C)(C(F)(F)F)C2)cc1OC ZINC000872803609 622982516 /nfs/dbraw/zinc/98/25/16/622982516.db2.gz CGUZQBYPSRFQJV-CQSZACIVSA-N 0 3 319.323 3.184 20 10 DGCDHN CCN(C)c1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000773810634 623074362 /nfs/dbraw/zinc/07/43/62/623074362.db2.gz VMHZHQCAZUCQEZ-HXUWFJFHSA-N 0 3 310.441 3.066 20 10 DGCDHN CCC(CC)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482085 623151099 /nfs/dbraw/zinc/15/10/99/623151099.db2.gz FOPLVHYOOLXXOX-UONOGXRCSA-N 0 3 305.466 3.097 20 10 DGCDHN CCOc1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c([O-])c1 ZINC000776257345 623402538 /nfs/dbraw/zinc/40/25/38/623402538.db2.gz LUPZKZMARDHAOL-AWEZNQCLSA-N 0 3 307.434 3.069 20 10 DGCDHN CCN(CC)c1ccc(CN(C)CCn2cccn2)cc1F ZINC000125272223 623411336 /nfs/dbraw/zinc/41/13/36/623411336.db2.gz BZURTCUIHPXFEC-UHFFFAOYSA-N 0 3 304.413 3.000 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1 ZINC000776948545 623478593 /nfs/dbraw/zinc/47/85/93/623478593.db2.gz FKSXFNCWOLXYMZ-RDJZCZTQSA-N 0 3 307.434 3.474 20 10 DGCDHN CCOP(=O)(CCC[N@H+](C)Cc1ccccc1[O-])OCC ZINC000876616031 623660329 /nfs/dbraw/zinc/66/03/29/623660329.db2.gz PIABNMVGMXOKKT-UHFFFAOYSA-N 0 3 315.350 3.480 20 10 DGCDHN CCOP(=O)(CCC[N@@H+](C)Cc1ccccc1[O-])OCC ZINC000876616031 623660332 /nfs/dbraw/zinc/66/03/32/623660332.db2.gz PIABNMVGMXOKKT-UHFFFAOYSA-N 0 3 315.350 3.480 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c([O-])c1 ZINC000876659010 623673192 /nfs/dbraw/zinc/67/31/92/623673192.db2.gz LHQMFKDRNBSQKQ-HNNXBMFYSA-N 0 3 318.461 3.073 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC(O)(C(F)F)CC2)cc1 ZINC000779208259 623741966 /nfs/dbraw/zinc/74/19/66/623741966.db2.gz GDZLIXWQFGLJOF-UHFFFAOYSA-N 0 3 312.404 3.125 20 10 DGCDHN Cc1ccc(CN[C@H](CN2CCCC2=O)c2ccccc2)c(O)c1 ZINC000876940284 623750296 /nfs/dbraw/zinc/75/02/96/623750296.db2.gz TVVWDAUSRVGPCV-GOSISDBHSA-N 0 3 324.424 3.154 20 10 DGCDHN COc1ccc(OC)c(CC[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000876979101 623758746 /nfs/dbraw/zinc/75/87/46/623758746.db2.gz TVWNWUMBCUKCNT-UHFFFAOYSA-N 0 3 301.386 3.050 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000779475817 623774423 /nfs/dbraw/zinc/77/44/23/623774423.db2.gz HRBOXULPFUUQTP-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000779475817 623774426 /nfs/dbraw/zinc/77/44/26/623774426.db2.gz HRBOXULPFUUQTP-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000877128177 623798866 /nfs/dbraw/zinc/79/88/66/623798866.db2.gz DXGFTOVBCLNHPM-MRXNPFEDSA-N 0 3 309.768 3.316 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000877189322 623822346 /nfs/dbraw/zinc/82/23/46/623822346.db2.gz MKWRILKFOFTHNQ-OCCSQVGLSA-N 0 3 324.415 3.413 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000877398703 623868157 /nfs/dbraw/zinc/86/81/57/623868157.db2.gz GVHITRZUBDHVIQ-UHFFFAOYSA-N 0 3 312.413 3.016 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000877476483 623900715 /nfs/dbraw/zinc/90/07/15/623900715.db2.gz FZIXITUIGSEABM-IEBWSBKVSA-N 0 3 315.388 3.096 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](OC)C1CCOCC1 ZINC000877503161 623915236 /nfs/dbraw/zinc/91/52/36/623915236.db2.gz DBGBBLBVSPJUBF-IBGZPJMESA-N 0 3 321.461 3.436 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](OC)C1CCOCC1 ZINC000877503161 623915238 /nfs/dbraw/zinc/91/52/38/623915238.db2.gz DBGBBLBVSPJUBF-IBGZPJMESA-N 0 3 321.461 3.436 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000877546984 623936128 /nfs/dbraw/zinc/93/61/28/623936128.db2.gz ZUOBYRQGVBDOQL-HNNXBMFYSA-N 0 3 300.377 3.208 20 10 DGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1CSC1 ZINC000877634021 623971720 /nfs/dbraw/zinc/97/17/20/623971720.db2.gz COARKJSJHGXPDG-UHFFFAOYSA-N 0 3 301.411 3.176 20 10 DGCDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000781895919 624166612 /nfs/dbraw/zinc/16/66/12/624166612.db2.gz YWWIQCGKXXFBGE-ZDUSSCGKSA-N 0 3 310.397 3.431 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC2(CCOCC2)O1 ZINC000878150869 624190604 /nfs/dbraw/zinc/19/06/04/624190604.db2.gz JVGREQSORZXKRD-QGZVFWFLSA-N 0 3 319.445 3.332 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC2(CCOCC2)O1 ZINC000878150869 624190605 /nfs/dbraw/zinc/19/06/05/624190605.db2.gz JVGREQSORZXKRD-QGZVFWFLSA-N 0 3 319.445 3.332 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000878362559 624256835 /nfs/dbraw/zinc/25/68/35/624256835.db2.gz CWIJEVHNKZCKKV-NVXWUHKLSA-N 0 3 319.445 3.409 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)c([O-])c1 ZINC000782535219 624261213 /nfs/dbraw/zinc/26/12/13/624261213.db2.gz LTHUANNFUGRCIK-GOSISDBHSA-N 0 3 307.434 3.212 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CCC2)C1=O ZINC000878565696 624309416 /nfs/dbraw/zinc/30/94/16/624309416.db2.gz RCACNUUSJINXHJ-QGZVFWFLSA-N 0 3 316.445 3.148 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CCC2)C1=O ZINC000878565696 624309419 /nfs/dbraw/zinc/30/94/19/624309419.db2.gz RCACNUUSJINXHJ-QGZVFWFLSA-N 0 3 316.445 3.148 20 10 DGCDHN C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccccc1[O-] ZINC000783519091 624360735 /nfs/dbraw/zinc/36/07/35/624360735.db2.gz SYDDUEMEQLPOGA-AWEZNQCLSA-N 0 3 316.445 3.224 20 10 DGCDHN CCC1([NH+](C)C)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000879287222 624484246 /nfs/dbraw/zinc/48/42/46/624484246.db2.gz MUKIIKGQWCYGKZ-UHFFFAOYSA-N 0 3 322.424 3.040 20 10 DGCDHN COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647887 624621038 /nfs/dbraw/zinc/62/10/38/624621038.db2.gz PGYPXXNFRHLPPJ-CHWSQXEVSA-N 0 3 314.385 3.079 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1ccccc1[O-] ZINC000879647710 624621276 /nfs/dbraw/zinc/62/12/76/624621276.db2.gz IZLMRPUHDWXUJW-SHARSMKWSA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCc2ccccc21)c1ccccc1[O-] ZINC000879649717 624622670 /nfs/dbraw/zinc/62/26/70/624622670.db2.gz SWXCBDMROIEUPZ-CABCVRRESA-N 0 3 324.424 3.411 20 10 DGCDHN C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879649063 624622734 /nfs/dbraw/zinc/62/27/34/624622734.db2.gz KXHQKTLMPGCZHC-KFWWJZLASA-N 0 3 312.413 3.309 20 10 DGCDHN C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879650137 624622758 /nfs/dbraw/zinc/62/27/58/624622758.db2.gz KXHQKTLMPGCZHC-ILXRZTDVSA-N 0 3 312.413 3.309 20 10 DGCDHN C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccccc1[O-] ZINC000879649313 624622850 /nfs/dbraw/zinc/62/28/50/624622850.db2.gz NBWBUIBDRIARFK-OAHLLOKOSA-N 0 3 324.424 3.018 20 10 DGCDHN COC(=O)c1ccc(OC)c(CN[C@H](C)c2ccccc2O)c1 ZINC000879650174 624623104 /nfs/dbraw/zinc/62/31/04/624623104.db2.gz NCZGWCUBFOCYEL-GFCCVEGCSA-N 0 3 315.369 3.038 20 10 DGCDHN COC(=O)c1ccc(OC)c(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879650174 624623112 /nfs/dbraw/zinc/62/31/12/624623112.db2.gz NCZGWCUBFOCYEL-GFCCVEGCSA-N 0 3 315.369 3.038 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)c1ccccc1[O-] ZINC000879649733 624623210 /nfs/dbraw/zinc/62/32/10/624623210.db2.gz TXJZJNACSMVBOR-FUUBYGMNSA-N 0 3 304.434 3.126 20 10 DGCDHN Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879651887 624624186 /nfs/dbraw/zinc/62/41/86/624624186.db2.gz OHZWCBWDCADBMU-GJZGRUSLSA-N 0 3 312.413 3.056 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879652370 624626348 /nfs/dbraw/zinc/62/63/48/624626348.db2.gz ZIVFGSXTDRHIGW-GXTWGEPZSA-N 0 3 321.804 3.136 20 10 DGCDHN CN(C)c1ccc(CN[C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000880568858 624979399 /nfs/dbraw/zinc/97/93/99/624979399.db2.gz FJEWIJNGPSBWIB-HXUWFJFHSA-N 0 3 320.440 3.480 20 10 DGCDHN CO[C@H](CC[NH2+]Cc1cc(Cl)cc(C)c1[O-])C(F)(F)F ZINC000787417748 625008465 /nfs/dbraw/zinc/00/84/65/625008465.db2.gz POPNQHMIHCDBOI-LLVKDONJSA-N 0 3 311.731 3.411 20 10 DGCDHN CO[C@@H](CC[NH2+]Cc1cc(Cl)cc(C)c1[O-])C(F)(F)F ZINC000787417750 625008488 /nfs/dbraw/zinc/00/84/88/625008488.db2.gz POPNQHMIHCDBOI-NSHDSACASA-N 0 3 311.731 3.411 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCc2cccn(CC)c2=O)cc1 ZINC000788606122 625227637 /nfs/dbraw/zinc/22/76/37/625227637.db2.gz WGUFHSBRWNTWHJ-HNNXBMFYSA-N 0 3 313.445 3.175 20 10 DGCDHN COC1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCC1 ZINC000792156763 625916474 /nfs/dbraw/zinc/91/64/74/625916474.db2.gz MHFWFXAEOFMRBS-QGZVFWFLSA-N 0 3 319.445 3.332 20 10 DGCDHN COC1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCC1 ZINC000792156763 625916478 /nfs/dbraw/zinc/91/64/78/625916478.db2.gz MHFWFXAEOFMRBS-QGZVFWFLSA-N 0 3 319.445 3.332 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000796481518 626054944 /nfs/dbraw/zinc/05/49/44/626054944.db2.gz IAAFTRJZQYVTDW-AUUYWEPGSA-N 0 3 315.413 3.311 20 10 DGCDHN CCOc1ccc(CNCc2cc(C)cc(Cl)n2)c(O)c1 ZINC000800285603 626348487 /nfs/dbraw/zinc/34/84/87/626348487.db2.gz MWJBDBAHGXICDX-UHFFFAOYSA-N 0 3 306.793 3.438 20 10 DGCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)nn1 ZINC000801517882 626406757 /nfs/dbraw/zinc/40/67/57/626406757.db2.gz WJVULVOHUHLDKK-UHFFFAOYSA-N 0 3 313.401 3.136 20 10 DGCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)nn1 ZINC000801517882 626406758 /nfs/dbraw/zinc/40/67/58/626406758.db2.gz WJVULVOHUHLDKK-UHFFFAOYSA-N 0 3 313.401 3.136 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@H](C)CC ZINC000801598169 626411950 /nfs/dbraw/zinc/41/19/50/626411950.db2.gz WOONZYLKLBJXSM-CABCVRRESA-N 0 3 306.450 3.298 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@H](C)CC ZINC000801598169 626411951 /nfs/dbraw/zinc/41/19/51/626411951.db2.gz WOONZYLKLBJXSM-CABCVRRESA-N 0 3 306.450 3.298 20 10 DGCDHN C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1[O-] ZINC000802657845 626565117 /nfs/dbraw/zinc/56/51/17/626565117.db2.gz AOHRPDKWYPZLPQ-UHFFFAOYSA-N 0 3 304.321 3.114 20 10 DGCDHN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1[O-] ZINC000802657845 626565119 /nfs/dbraw/zinc/56/51/19/626565119.db2.gz AOHRPDKWYPZLPQ-UHFFFAOYSA-N 0 3 304.321 3.114 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CSC2(C)C)c1[O-] ZINC000802660950 626565871 /nfs/dbraw/zinc/56/58/71/626565871.db2.gz AJSWTJFXURCXER-LLVKDONJSA-N 0 3 316.264 3.447 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](OC(F)F)C3)c2c1 ZINC000802748043 626569284 /nfs/dbraw/zinc/56/92/84/626569284.db2.gz YEAUJPLNFOCIQC-ZDUSSCGKSA-N 0 3 323.339 3.368 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](OC(F)F)C3)c2c1 ZINC000802748043 626569285 /nfs/dbraw/zinc/56/92/85/626569285.db2.gz YEAUJPLNFOCIQC-ZDUSSCGKSA-N 0 3 323.339 3.368 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2C=CCC2)c1[O-] ZINC000883238613 626619768 /nfs/dbraw/zinc/61/97/68/626619768.db2.gz IATWAPCZEFEGSW-JTQLQIEISA-N 0 3 312.207 3.219 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000883263428 626628435 /nfs/dbraw/zinc/62/84/35/626628435.db2.gz SKCYKFLMAYHCRJ-JKSUJKDBSA-N 0 3 319.445 3.327 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000808684430 626849170 /nfs/dbraw/zinc/84/91/70/626849170.db2.gz NVOXLMUEQPEZSH-WDEREUQCSA-N 0 3 312.841 3.308 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1[O-] ZINC000808694055 626850113 /nfs/dbraw/zinc/85/01/13/626850113.db2.gz ZGSYAGLNRKKFDK-WFASDCNBSA-N 0 3 308.853 3.489 20 10 DGCDHN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808697808 626850454 /nfs/dbraw/zinc/85/04/54/626850454.db2.gz WATORWZNKLSGCU-OUJBWJOFSA-N 0 3 303.855 3.117 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)c1[O-] ZINC000808695051 626850472 /nfs/dbraw/zinc/85/04/72/626850472.db2.gz DTJVQXRVVWZUDU-TZMCWYRMSA-N 0 3 313.825 3.200 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000808701789 626851032 /nfs/dbraw/zinc/85/10/32/626851032.db2.gz IRFJNAOPXYMFIN-GWCFXTLKSA-N 0 3 305.809 3.285 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c1[O-] ZINC000808701821 626851166 /nfs/dbraw/zinc/85/11/66/626851166.db2.gz JWKLOHAFBAEILM-BFQNTYOBSA-N 0 3 308.853 3.487 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNc2ncccn2)c1[O-] ZINC000808701025 626851209 /nfs/dbraw/zinc/85/12/09/626851209.db2.gz NYFCOQMENMDXIK-GFCCVEGCSA-N 0 3 320.824 3.297 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1[O-] ZINC000808707859 626851572 /nfs/dbraw/zinc/85/15/72/626851572.db2.gz AXQQACXKCGBOIN-WPRPVWTQSA-N 0 3 311.731 3.318 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1[O-] ZINC000808707527 626851960 /nfs/dbraw/zinc/85/19/60/626851960.db2.gz RHGMIQDQNVIJDE-WCQYABFASA-N 0 3 310.825 3.014 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1[O-] ZINC000808715533 626853198 /nfs/dbraw/zinc/85/31/98/626853198.db2.gz VLILYIHOQWRABP-YPMHNXCESA-N 0 3 305.809 3.216 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000809768624 626950477 /nfs/dbraw/zinc/95/04/77/626950477.db2.gz QTPVDXRMUXWRNT-INIZCTEOSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000809768624 626950479 /nfs/dbraw/zinc/95/04/79/626950479.db2.gz QTPVDXRMUXWRNT-INIZCTEOSA-N 0 3 315.417 3.468 20 10 DGCDHN C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767722 626950491 /nfs/dbraw/zinc/95/04/91/626950491.db2.gz SBDLNVKUHMTCTE-ABAIWWIYSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767722 626950493 /nfs/dbraw/zinc/95/04/93/626950493.db2.gz SBDLNVKUHMTCTE-ABAIWWIYSA-N 0 3 312.816 3.101 20 10 DGCDHN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000809778728 626950848 /nfs/dbraw/zinc/95/08/48/626950848.db2.gz VIHJKLXAOVOYQS-AWEZNQCLSA-N 0 3 324.852 3.092 20 10 DGCDHN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000809778728 626950850 /nfs/dbraw/zinc/95/08/50/626950850.db2.gz VIHJKLXAOVOYQS-AWEZNQCLSA-N 0 3 324.852 3.092 20 10 DGCDHN Cc1nnc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)s1 ZINC000810243370 626991949 /nfs/dbraw/zinc/99/19/49/626991949.db2.gz NQQPUMQTCQXDJR-LDYMZIIASA-N 0 3 307.394 3.072 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1C[C@@]12CCOC2 ZINC000886064744 627097324 /nfs/dbraw/zinc/09/73/24/627097324.db2.gz HPNJGSGKZZPCKE-VQIMIIECSA-N 0 3 313.397 3.414 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C[C@H]1C[C@@]12CCOC2 ZINC000886064744 627097327 /nfs/dbraw/zinc/09/73/27/627097327.db2.gz HPNJGSGKZZPCKE-VQIMIIECSA-N 0 3 313.397 3.414 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1C[C@]12CCOC2 ZINC000886064742 627097499 /nfs/dbraw/zinc/09/74/99/627097499.db2.gz HPNJGSGKZZPCKE-LPHOPBHVSA-N 0 3 313.397 3.414 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1C[C@]12CCOC2 ZINC000886064742 627097501 /nfs/dbraw/zinc/09/75/01/627097501.db2.gz HPNJGSGKZZPCKE-LPHOPBHVSA-N 0 3 313.397 3.414 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2F)c([O-])c1 ZINC000886674667 627186917 /nfs/dbraw/zinc/18/69/17/627186917.db2.gz PCOWLWVUEZAESV-DZGCQCFKSA-N 0 3 303.377 3.094 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c([O-])c1 ZINC000886676514 627187417 /nfs/dbraw/zinc/18/74/17/627187417.db2.gz IIHJHHFQNVBIJL-CJNGLKHVSA-N 0 3 303.377 3.094 20 10 DGCDHN COc1cc(C)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000811781141 627322043 /nfs/dbraw/zinc/32/20/43/627322043.db2.gz YYTZGTAXFNGBIV-PBHICJAKSA-N 0 3 305.418 3.099 20 10 DGCDHN CCN(C)c1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000815108471 627627830 /nfs/dbraw/zinc/62/78/30/627627830.db2.gz XGBYBSGBMDVEQU-NRFANRHFSA-N 0 3 324.468 3.456 20 10 DGCDHN COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000815122875 627631423 /nfs/dbraw/zinc/63/14/23/627631423.db2.gz QJTQQQWGJWMRSR-GOEBONIOSA-N 0 3 305.418 3.384 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c([O-])c1 ZINC000815557685 627684687 /nfs/dbraw/zinc/68/46/87/627684687.db2.gz ARGWYTNIZOTOJC-AWEZNQCLSA-N 0 3 316.445 3.061 20 10 DGCDHN COC(=O)N1CCC(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815626086 627692331 /nfs/dbraw/zinc/69/23/31/627692331.db2.gz VIOJCGSAOQYNJF-AWEZNQCLSA-N 0 3 320.433 3.138 20 10 DGCDHN Cc1nccnc1CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000815651063 627694958 /nfs/dbraw/zinc/69/49/58/627694958.db2.gz JCAPRSXHFWRGGE-IINYFYTJSA-N 0 3 301.365 3.010 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2[O-])[C@@H]1n1cccn1 ZINC000815659379 627695961 /nfs/dbraw/zinc/69/59/61/627695961.db2.gz AFYDAPWLTAHDGY-ATLSCFEFSA-N 0 3 315.417 3.048 20 10 DGCDHN COc1ccnc([C@H](C)NCCCSc2nccs2)c1 ZINC000925104416 627708927 /nfs/dbraw/zinc/70/89/27/627708927.db2.gz ZAPPGSCKHLBYBL-NSHDSACASA-N 0 3 309.460 3.380 20 10 DGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000816596229 627812184 /nfs/dbraw/zinc/81/21/84/627812184.db2.gz UCLOQHGHERNGMJ-UHFFFAOYSA-N 0 3 312.816 3.291 20 10 DGCDHN [O-]c1cc(F)c(Cl)cc1CNC1CC([NH+]2CCCCC2)C1 ZINC000816596229 627812187 /nfs/dbraw/zinc/81/21/87/627812187.db2.gz UCLOQHGHERNGMJ-UHFFFAOYSA-N 0 3 312.816 3.291 20 10 DGCDHN COC1([C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000817419354 627898261 /nfs/dbraw/zinc/89/82/61/627898261.db2.gz GEWLRFNVTASYQE-GFCCVEGCSA-N 0 3 313.825 3.028 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccc(C)cc1[O-] ZINC000817587287 627926810 /nfs/dbraw/zinc/92/68/10/627926810.db2.gz DKVOSHCBOAAZSB-GOEBONIOSA-N 0 3 307.434 3.325 20 10 DGCDHN CC[C@H]([NH2+]CCNC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817953560 627973323 /nfs/dbraw/zinc/97/33/23/627973323.db2.gz OFRPSKMLVVZLMT-ZDUSSCGKSA-N 0 3 302.340 3.204 20 10 DGCDHN CC[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817959686 627974834 /nfs/dbraw/zinc/97/48/34/627974834.db2.gz GIJGAACJWZEXRK-CHWSQXEVSA-N 0 3 302.340 3.189 20 10 DGCDHN CC[C@H]([NH3+])CN[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817979319 627981333 /nfs/dbraw/zinc/98/13/33/627981333.db2.gz JMRUBEBPHQOYOJ-APPZFPTMSA-N 0 3 321.646 3.196 20 10 DGCDHN C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1[O-] ZINC000817980284 627982306 /nfs/dbraw/zinc/98/23/06/627982306.db2.gz KMAQIPITWWNOHJ-ABAIWWIYSA-N 0 3 306.356 3.193 20 10 DGCDHN C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984320 627983847 /nfs/dbraw/zinc/98/38/47/627983847.db2.gz QJUSUAYEBBCWJN-VHSXEESVSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCCCNC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984320 627983848 /nfs/dbraw/zinc/98/38/48/627983848.db2.gz QJUSUAYEBBCWJN-VHSXEESVSA-N 0 3 303.233 3.492 20 10 DGCDHN Cc1ccc(O)c([C@H](C)NCc2cc(C(F)(F)F)nn2C)c1 ZINC000926929638 627984009 /nfs/dbraw/zinc/98/40/09/627984009.db2.gz YHVCKHZBFNYVHR-JTQLQIEISA-N 0 3 313.323 3.304 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c([O-])c1 ZINC000927015651 627998324 /nfs/dbraw/zinc/99/83/24/627998324.db2.gz RMXOSOZWFBUWDW-CABCVRRESA-N 0 3 305.418 3.079 20 10 DGCDHN CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)n1 ZINC000927055626 628003345 /nfs/dbraw/zinc/00/33/45/628003345.db2.gz GLRLNZBOUDHOII-HZSPNIEDSA-N 0 3 313.401 3.251 20 10 DGCDHN C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000927154868 628027397 /nfs/dbraw/zinc/02/73/97/628027397.db2.gz DZMJYFLIYBHYFN-NRXGSXMXSA-N 0 3 315.388 3.275 20 10 DGCDHN CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000822498492 628458089 /nfs/dbraw/zinc/45/80/89/628458089.db2.gz ZDWQYVBSTQCMOC-UHFFFAOYSA-N 0 3 311.397 3.379 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1[O-] ZINC000824500938 628665472 /nfs/dbraw/zinc/66/54/72/628665472.db2.gz BMMZXSUDEWYGOR-MRXNPFEDSA-N 0 3 323.795 3.186 20 10 DGCDHN CCC[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])OC ZINC000824543836 628669030 /nfs/dbraw/zinc/66/90/30/628669030.db2.gz QJKMTFIBDZJERU-ZDUSSCGKSA-N 0 3 316.239 3.368 20 10 DGCDHN Cc1cc([O-])c(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1Cl ZINC000824639083 628679345 /nfs/dbraw/zinc/67/93/45/628679345.db2.gz GBZSVKCEOKRMBA-UHFFFAOYSA-N 0 3 305.809 3.457 20 10 DGCDHN COc1cccc(O)c1CNCc1ccnc(C(F)(F)F)c1 ZINC000824660778 628680992 /nfs/dbraw/zinc/68/09/92/628680992.db2.gz ICGLCADCZUXVKZ-UHFFFAOYSA-N 0 3 312.291 3.104 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC000825104180 628728259 /nfs/dbraw/zinc/72/82/59/628728259.db2.gz QEQXVQFTPDDVNC-SJORKVTESA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC000825104180 628728262 /nfs/dbraw/zinc/72/82/62/628728262.db2.gz QEQXVQFTPDDVNC-SJORKVTESA-N 0 3 305.418 3.180 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2cccc(O)c2)c1[O-] ZINC000825124120 628730496 /nfs/dbraw/zinc/73/04/96/628730496.db2.gz IDAVGEQPVLJLOL-LLVKDONJSA-N 0 3 321.804 3.481 20 10 DGCDHN COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000825185902 628735458 /nfs/dbraw/zinc/73/54/58/628735458.db2.gz SVTDUOXUPJWYRV-OAHLLOKOSA-N 0 3 315.413 3.138 20 10 DGCDHN COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000825185901 628735681 /nfs/dbraw/zinc/73/56/81/628735681.db2.gz SVTDUOXUPJWYRV-HNNXBMFYSA-N 0 3 315.413 3.138 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000827237701 628940071 /nfs/dbraw/zinc/94/00/71/628940071.db2.gz WJRAAVIGOJZRCL-RDJZCZTQSA-N 0 3 301.361 3.194 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000827377067 628953829 /nfs/dbraw/zinc/95/38/29/628953829.db2.gz OOTWAYUAZDXYFA-YOEHRIQHSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000827377067 628953832 /nfs/dbraw/zinc/95/38/32/628953832.db2.gz OOTWAYUAZDXYFA-YOEHRIQHSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000827377359 628954357 /nfs/dbraw/zinc/95/43/57/628954357.db2.gz WOOLTCXEBWLCGW-ZBFHGGJFSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000827377359 628954361 /nfs/dbraw/zinc/95/43/61/628954361.db2.gz WOOLTCXEBWLCGW-ZBFHGGJFSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(CN2CCOC(C3CC3)(C3CC3)C2)c(O)c1 ZINC000827537835 628969488 /nfs/dbraw/zinc/96/94/88/628969488.db2.gz IWAUSHQZYDUMMN-UHFFFAOYSA-N 0 3 317.429 3.182 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c([O-])c1 ZINC000827537835 628969490 /nfs/dbraw/zinc/96/94/90/628969490.db2.gz IWAUSHQZYDUMMN-UHFFFAOYSA-N 0 3 317.429 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c([O-])c1 ZINC000827537835 628969492 /nfs/dbraw/zinc/96/94/92/628969492.db2.gz IWAUSHQZYDUMMN-UHFFFAOYSA-N 0 3 317.429 3.182 20 10 DGCDHN OCC1([C@@H](NCc2ccc3c(c2)CCO3)c2ccncc2)CCC1 ZINC000827934657 629005157 /nfs/dbraw/zinc/00/51/57/629005157.db2.gz MTCUZNTUAPJVTO-IBGZPJMESA-N 0 3 324.424 3.010 20 10 DGCDHN CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000828014108 629014830 /nfs/dbraw/zinc/01/48/30/629014830.db2.gz UKYWZOOOVVUHMG-UHFFFAOYSA-N 0 3 323.799 3.492 20 10 DGCDHN CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000828014108 629014835 /nfs/dbraw/zinc/01/48/35/629014835.db2.gz UKYWZOOOVVUHMG-UHFFFAOYSA-N 0 3 323.799 3.492 20 10 DGCDHN Cc1cc(CN(C)[C@@H](C)C[S@](C)=O)ccc1N1CCCCC1 ZINC000828785140 629091817 /nfs/dbraw/zinc/09/18/17/629091817.db2.gz CLMKNTQHTFUVHB-AOMKIAJQSA-N 0 3 322.518 3.184 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCN1CCc3ccccc3C1)CC2 ZINC000834501730 629718662 /nfs/dbraw/zinc/71/86/62/629718662.db2.gz IBMQOAYYIYRGLT-LJQANCHMSA-N 0 3 322.452 3.418 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cccc(Cn3ccnc3)c1)CC2 ZINC000834507710 629718948 /nfs/dbraw/zinc/71/89/48/629718948.db2.gz CNKCXWSMMFXVIL-SFHVURJKSA-N 0 3 319.408 3.414 20 10 DGCDHN C[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834531455 629721195 /nfs/dbraw/zinc/72/11/95/629721195.db2.gz ZMIQSRMYNUBNFZ-ZBFHGGJFSA-N 0 3 302.462 3.480 20 10 DGCDHN C[C@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834531453 629721395 /nfs/dbraw/zinc/72/13/95/629721395.db2.gz ZMIQSRMYNUBNFZ-GOEBONIOSA-N 0 3 302.462 3.480 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1COC3(CCCCCC3)O1)CC2 ZINC000834737881 629770239 /nfs/dbraw/zinc/77/02/39/629770239.db2.gz ZPYHLADURJOTOA-JKSUJKDBSA-N 0 3 317.429 3.435 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1COC3(CCCCCC3)O1)CC2 ZINC000834737878 629770492 /nfs/dbraw/zinc/77/04/92/629770492.db2.gz ZPYHLADURJOTOA-CVEARBPZSA-N 0 3 317.429 3.435 20 10 DGCDHN Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1C ZINC000834910141 629806613 /nfs/dbraw/zinc/80/66/13/629806613.db2.gz FRFVTJLHHOOLIW-ZWKOTPCHSA-N 0 3 311.425 3.190 20 10 DGCDHN Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCc3cccc([O-])c32)cc1C ZINC000834910131 629806877 /nfs/dbraw/zinc/80/68/77/629806877.db2.gz FRFVTJLHHOOLIW-MSOLQXFVSA-N 0 3 311.425 3.190 20 10 DGCDHN Cc1ccsc1[C@@H](CO)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835042886 629832713 /nfs/dbraw/zinc/83/27/13/629832713.db2.gz LCVCMXSKROOTOR-LAQIPUCWSA-N 0 3 316.470 3.459 20 10 DGCDHN CN(C)c1ccc(CNCC2=Cc3ccccc3OC2)cc1F ZINC000102425612 630105493 /nfs/dbraw/zinc/10/54/93/630105493.db2.gz NMHWUGRLDZGKIQ-UHFFFAOYSA-N 0 3 312.388 3.457 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000840899139 630374636 /nfs/dbraw/zinc/37/46/36/630374636.db2.gz ZHXCXVGOKGNZED-DOTOQJQBSA-N 0 3 312.388 3.387 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3)c([O-])c1 ZINC000841070894 630404389 /nfs/dbraw/zinc/40/43/89/630404389.db2.gz VUFKJXSDBDQTIH-UHFFFAOYSA-N 0 3 312.413 3.439 20 10 DGCDHN Nc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000841302325 630425503 /nfs/dbraw/zinc/42/55/03/630425503.db2.gz SXSKOFRKZAERPM-GOSISDBHSA-N 0 3 324.428 3.227 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)c2c1 ZINC000842622002 630555034 /nfs/dbraw/zinc/55/50/34/630555034.db2.gz GIGWESMNQXTRSY-KUHUBIRLSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)c2c1 ZINC000842622002 630555037 /nfs/dbraw/zinc/55/50/37/630555037.db2.gz GIGWESMNQXTRSY-KUHUBIRLSA-N 0 3 313.397 3.165 20 10 DGCDHN [NH3+]C[C@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1[O-] ZINC000843129445 630617603 /nfs/dbraw/zinc/61/76/03/630617603.db2.gz OUCLSTSNGCRMPN-INIZCTEOSA-N 0 3 302.805 3.104 20 10 DGCDHN [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1[O-] ZINC000843129450 630617760 /nfs/dbraw/zinc/61/77/60/630617760.db2.gz OUCLSTSNGCRMPN-MRXNPFEDSA-N 0 3 302.805 3.104 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CCOc1ccc(Br)cc1 ZINC000105461899 630712803 /nfs/dbraw/zinc/71/28/03/630712803.db2.gz IUBMBBXIGYYRJD-UHFFFAOYSA-N 0 3 322.202 3.323 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccccc1[O-] ZINC000844313389 630718309 /nfs/dbraw/zinc/71/83/09/630718309.db2.gz QWAASIIRJXIROV-GFCCVEGCSA-N 0 3 311.307 3.442 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc(C(=O)OC)c(C)n1C)c1ccccc1[O-] ZINC000845992860 631205084 /nfs/dbraw/zinc/20/50/84/631205084.db2.gz RZKCAMIRHOUXAM-MRXNPFEDSA-N 0 3 316.401 3.067 20 10 DGCDHN COc1cccc(O)c1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016164 631206368 /nfs/dbraw/zinc/20/63/68/631206368.db2.gz UCXSBEZWCJUHCM-UHFFFAOYSA-N 0 3 319.298 3.267 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016164 631206369 /nfs/dbraw/zinc/20/63/69/631206369.db2.gz UCXSBEZWCJUHCM-UHFFFAOYSA-N 0 3 319.298 3.267 20 10 DGCDHN COc1cccc([C@H](C)NCc2ccccc2[N+](=O)[O-])c1O ZINC000846146241 631212005 /nfs/dbraw/zinc/21/20/05/631212005.db2.gz LTPXHLPMYDWEML-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2cccc(OC)c2O)c(F)c1 ZINC000846153198 631212471 /nfs/dbraw/zinc/21/24/71/631212471.db2.gz HOVKNLQHXLJUOY-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN COc1cccc([C@H](C)NCc2cc(F)ccc2OC)c1O ZINC000846165297 631212955 /nfs/dbraw/zinc/21/29/55/631212955.db2.gz VBWYWFWMRWTRKH-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN COc1cccc([C@H](C)NCc2ccnc(OC(F)F)c2)c1O ZINC000846167920 631213350 /nfs/dbraw/zinc/21/33/50/631213350.db2.gz ODRVQJLCEMUBKZ-JTQLQIEISA-N 0 3 324.327 3.248 20 10 DGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H](CO)CCF ZINC000846210025 631214856 /nfs/dbraw/zinc/21/48/56/631214856.db2.gz WFFPZWYUZGWFSF-FUHWJXTLSA-N 0 3 317.404 3.376 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1[O-] ZINC000848558307 631692320 /nfs/dbraw/zinc/69/23/20/631692320.db2.gz LGICOAGQZZSTMI-MEDUHNTESA-N 0 3 314.360 3.135 20 10 DGCDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCC(F)(F)CC1 ZINC000848575263 631700482 /nfs/dbraw/zinc/70/04/82/631700482.db2.gz NJGWWLPCOGPOFL-JTQLQIEISA-N 0 3 313.344 3.425 20 10 DGCDHN CCc1cccc(CNCc2cccc3c2OCCCO3)c1O ZINC000848900169 631778436 /nfs/dbraw/zinc/77/84/36/631778436.db2.gz YDKDEZIJSNERCX-UHFFFAOYSA-N 0 3 313.397 3.406 20 10 DGCDHN CCc1cccc(CN[C@H](CCO)c2ccccc2F)c1O ZINC000848919431 631786276 /nfs/dbraw/zinc/78/62/76/631786276.db2.gz KSWULKIXIAZDNJ-QGZVFWFLSA-N 0 3 303.377 3.307 20 10 DGCDHN CC(C)N1CCN(CCCSc2ncc(Cl)s2)CC1 ZINC000850000511 632025356 /nfs/dbraw/zinc/02/53/56/632025356.db2.gz XRCANBIUNLCWFW-UHFFFAOYSA-N 0 3 319.927 3.305 20 10 DGCDHN CCc1cc(CNCc2cc(OC)cc(C(C)(C)C)c2O)[nH]n1 ZINC000850137119 632064093 /nfs/dbraw/zinc/06/40/93/632064093.db2.gz JDAPUJDAEMUPMU-UHFFFAOYSA-N 0 3 317.433 3.274 20 10 DGCDHN Oc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CC2 ZINC000850386491 632135019 /nfs/dbraw/zinc/13/50/19/632135019.db2.gz JUJUZVVLIMYGRA-FQEVSTJZSA-N 0 3 324.424 3.006 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000850393747 632137955 /nfs/dbraw/zinc/13/79/55/632137955.db2.gz VVFLKCPQUPZDSH-PJXYFTJBSA-N 0 3 312.207 3.051 20 10 DGCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cncs3)C2)cc1 ZINC000850488424 632168210 /nfs/dbraw/zinc/16/82/10/632168210.db2.gz MRHHIOCKKBTSBA-QWHCGFSZSA-N 0 3 303.431 3.081 20 10 DGCDHN CC[C@@H]([NH2+][C@H](COC)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000850494747 632170837 /nfs/dbraw/zinc/17/08/37/632170837.db2.gz XXXJSMFCZAMDEU-IAGOWNOFSA-N 0 3 307.434 3.183 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)c2c1c(F)ccc2[O-] ZINC000850521333 632178201 /nfs/dbraw/zinc/17/82/01/632178201.db2.gz RZPLKHXSAKPTGX-UBHAPETDSA-N 0 3 301.308 3.093 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1[O-] ZINC000850555417 632191521 /nfs/dbraw/zinc/19/15/21/632191521.db2.gz IFDJQNHWLGJIII-UKRRQHHQSA-N 0 3 304.434 3.080 20 10 DGCDHN CC[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccccc1[O-] ZINC000850573053 632198263 /nfs/dbraw/zinc/19/82/63/632198263.db2.gz ISGZBUODQSCMEC-HNNXBMFYSA-N 0 3 304.434 3.259 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000850583520 632202108 /nfs/dbraw/zinc/20/21/08/632202108.db2.gz OLSNBFBEGRYOCI-PSLIRLAXSA-N 0 3 311.303 3.194 20 10 DGCDHN CCOc1ccc(OCC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000109771343 632316674 /nfs/dbraw/zinc/31/66/74/632316674.db2.gz SBAQBAOMBKHHKE-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN CCOc1ccc(OCC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000109771343 632316680 /nfs/dbraw/zinc/31/66/80/632316680.db2.gz SBAQBAOMBKHHKE-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN COc1cc(CN(Cc2ccccc2O)C2CCCC2)on1 ZINC000851771769 632489375 /nfs/dbraw/zinc/48/93/75/632489375.db2.gz OCOVWSNZGXTIMP-UHFFFAOYSA-N 0 3 302.374 3.334 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000851792103 632494563 /nfs/dbraw/zinc/49/45/63/632494563.db2.gz KTMVVQTVYVHIRJ-USXIJHARSA-N 0 3 316.445 3.052 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000851792103 632494566 /nfs/dbraw/zinc/49/45/66/632494566.db2.gz KTMVVQTVYVHIRJ-USXIJHARSA-N 0 3 316.445 3.052 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000851841367 632506478 /nfs/dbraw/zinc/50/64/78/632506478.db2.gz PUKGCEFSOLFVSS-BZZMCLGOSA-N 0 3 301.430 3.419 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000851841367 632506484 /nfs/dbraw/zinc/50/64/84/632506484.db2.gz PUKGCEFSOLFVSS-BZZMCLGOSA-N 0 3 301.430 3.419 20 10 DGCDHN C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(F)ccc1[O-] ZINC000184896995 660194307 /nfs/dbraw/zinc/19/43/07/660194307.db2.gz HHXLFUWSPNBTMZ-LLVKDONJSA-N 0 3 303.333 3.153 20 10 DGCDHN C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000185111589 660202070 /nfs/dbraw/zinc/20/20/70/660202070.db2.gz JFPWDJARXYHLCA-AWEZNQCLSA-N 0 3 302.393 3.314 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cc(F)ccc1[O-] ZINC000186230738 660350596 /nfs/dbraw/zinc/35/05/96/660350596.db2.gz CAVVEUFUNNVVMQ-GXTWGEPZSA-N 0 3 309.381 3.258 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)c([O-])c1 ZINC000186474114 660446617 /nfs/dbraw/zinc/44/66/17/660446617.db2.gz CTRCTRQNFBYCEM-AWEZNQCLSA-N 0 3 309.413 3.481 20 10 DGCDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000701914406 660691504 /nfs/dbraw/zinc/69/15/04/660691504.db2.gz FPVZLLLBCOQPSA-GXTWGEPZSA-N 0 3 320.433 3.225 20 10 DGCDHN CCC(C)(C)OCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000308760251 655744865 /nfs/dbraw/zinc/74/48/65/655744865.db2.gz XRPCXBWAECYDLE-UHFFFAOYSA-N 0 3 301.814 3.349 20 10 DGCDHN CN(Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)OCCO2 ZINC000161637119 655809707 /nfs/dbraw/zinc/80/97/07/655809707.db2.gz GNCKDEDSAVWNPW-UHFFFAOYSA-N 0 3 312.413 3.156 20 10 DGCDHN C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cc(F)ccc1[O-] ZINC000176980635 655885503 /nfs/dbraw/zinc/88/55/03/655885503.db2.gz XZXDLEGXZSFYGM-GFCCVEGCSA-N 0 3 317.360 3.196 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC000176985429 655885882 /nfs/dbraw/zinc/88/58/82/655885882.db2.gz MPBLSABUNJLDLM-GHMZBOCLSA-N 0 3 317.364 3.434 20 10 DGCDHN COC[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000307764782 655996446 /nfs/dbraw/zinc/99/64/46/655996446.db2.gz NSXJDAMYHGQMLV-CQSZACIVSA-N 0 3 311.809 3.249 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc3c2OCCO3)c1 ZINC000182412020 656105739 /nfs/dbraw/zinc/10/57/39/656105739.db2.gz IHHLZPWEPCKXQW-GFCCVEGCSA-N 0 3 315.369 3.023 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC(C)(CO)CC2)cc1F ZINC000184074828 656116541 /nfs/dbraw/zinc/11/65/41/656116541.db2.gz WOZNYFIFFMLXRO-UHFFFAOYSA-N 0 3 308.441 3.266 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188807580 656149181 /nfs/dbraw/zinc/14/91/81/656149181.db2.gz YNZCGZBFNFYOAI-FZMZJTMJSA-N 0 3 321.314 3.105 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000320153768 656848771 /nfs/dbraw/zinc/84/87/71/656848771.db2.gz JVIAYRHARFFHIF-AWEZNQCLSA-N 0 3 318.461 3.388 20 10 DGCDHN COc1ccc(F)cc1[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000237179320 657370370 /nfs/dbraw/zinc/37/03/70/657370370.db2.gz IBGIAOMUSGMDFG-SNVBAGLBSA-N 0 3 319.332 3.119 20 10 DGCDHN CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[O-] ZINC000320188093 657430166 /nfs/dbraw/zinc/43/01/66/657430166.db2.gz OZGKWRAXXFYHRQ-BXUZGUMPSA-N 0 3 311.385 3.364 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000164210978 658921556 /nfs/dbraw/zinc/92/15/56/658921556.db2.gz LRGBHEDNKIYZJU-SFHVURJKSA-N 0 3 324.424 3.072 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000189999063 659269454 /nfs/dbraw/zinc/26/94/54/659269454.db2.gz SHTGTISOAGFANH-GXTWGEPZSA-N 0 3 308.422 3.346 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1[O-] ZINC000246120488 659884819 /nfs/dbraw/zinc/88/48/19/659884819.db2.gz KHKWTVBPNFIPAH-UWVGGRQHSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1[O-] ZINC000246120488 659884822 /nfs/dbraw/zinc/88/48/22/659884822.db2.gz KHKWTVBPNFIPAH-UWVGGRQHSA-N 0 3 314.223 3.394 20 10 DGCDHN C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179578933 659933724 /nfs/dbraw/zinc/93/37/24/659933724.db2.gz JLEZCIKBEFEHNU-KRWDZBQOSA-N 0 3 310.441 3.489 20 10 DGCDHN C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1[O-] ZINC000179578933 659933725 /nfs/dbraw/zinc/93/37/25/659933725.db2.gz JLEZCIKBEFEHNU-KRWDZBQOSA-N 0 3 310.441 3.489 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(CC)CC ZINC000076074119 660086591 /nfs/dbraw/zinc/08/65/91/660086591.db2.gz CVJDXSTVTCSARS-CQSZACIVSA-N 0 3 306.450 3.298 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(CC)CC ZINC000076074119 660086593 /nfs/dbraw/zinc/08/65/93/660086593.db2.gz CVJDXSTVTCSARS-CQSZACIVSA-N 0 3 306.450 3.298 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccccc1[O-] ZINC000183396459 660109508 /nfs/dbraw/zinc/10/95/08/660109508.db2.gz RPNHUDORTLBRQN-OAHLLOKOSA-N 0 3 307.397 3.488 20 10 DGCDHN C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccccc1[O-] ZINC000183415204 660109833 /nfs/dbraw/zinc/10/98/33/660109833.db2.gz QTJVLLNPYCAVJV-HNNXBMFYSA-N 0 3 320.502 3.404 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccccc1[O-] ZINC000183671796 660129680 /nfs/dbraw/zinc/12/96/80/660129680.db2.gz VNJJPCCTWGPJGR-DIODGJHASA-N 0 3 305.418 3.365 20 10 DGCDHN CCCCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183703117 660131595 /nfs/dbraw/zinc/13/15/95/660131595.db2.gz TVIABJPXOBBKLK-UHFFFAOYSA-N 0 3 322.449 3.025 20 10 DGCDHN Cc1nnc(CC[N@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000929635989 661322920 /nfs/dbraw/zinc/32/29/20/661322920.db2.gz PHBSDTQYZXWJHG-UHFFFAOYSA-N 0 3 301.390 3.071 20 10 DGCDHN Cc1nnc(CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000929635989 661322923 /nfs/dbraw/zinc/32/29/23/661322923.db2.gz PHBSDTQYZXWJHG-UHFFFAOYSA-N 0 3 301.390 3.071 20 10 DGCDHN CC[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000155576716 661849546 /nfs/dbraw/zinc/84/95/46/661849546.db2.gz JZOWFOSOSFQUED-AWEZNQCLSA-N 0 3 308.422 3.300 20 10 DGCDHN C[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000090221161 662257566 /nfs/dbraw/zinc/25/75/66/662257566.db2.gz GWJRRLXDDPKBFR-JLCFBVMHSA-N 0 3 316.470 3.341 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@H](CC(N)=O)c1ccccc1 ZINC001620950495 1192644832 /nfs/dbraw/zinc/64/48/32/1192644832.db2.gz CTUWIDWZLILWRP-QGZVFWFLSA-N 0 3 321.424 3.193 20 10 DGCDHN CCC(=O)N[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000129687149 1176465694 /nfs/dbraw/zinc/46/56/94/1176465694.db2.gz OQBIOAYHXPNTBK-OAHLLOKOSA-N 0 3 312.413 3.036 20 10 DGCDHN CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000129687149 1176465696 /nfs/dbraw/zinc/46/56/96/1176465696.db2.gz OQBIOAYHXPNTBK-OAHLLOKOSA-N 0 3 312.413 3.036 20 10 DGCDHN Nc1ccc(CN[C@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC001336118828 1178995646 /nfs/dbraw/zinc/99/56/46/1178995646.db2.gz KYKLJAHHVCLTCN-MRXNPFEDSA-N 0 3 308.784 3.275 20 10 DGCDHN CC(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001439960257 1182023033 /nfs/dbraw/zinc/02/30/33/1182023033.db2.gz LFTAGNYPXGXCMA-QAPCUYQASA-N 0 3 319.493 3.154 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccnc(Br)c1)c1ccccc1[O-] ZINC001460638947 1182701848 /nfs/dbraw/zinc/70/18/48/1182701848.db2.gz QHJKFSWOQAGQRA-SNVBAGLBSA-N 0 3 307.191 3.401 20 10 DGCDHN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CN1CCCCC1 ZINC001461084060 1182765511 /nfs/dbraw/zinc/76/55/11/1182765511.db2.gz FGGRNXLIILPIKC-LBPRGKRZSA-N 0 3 314.832 3.396 20 10 DGCDHN C[C@H](N[C@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(N(C)C)cc1 ZINC001474116799 1183870232 /nfs/dbraw/zinc/87/02/32/1183870232.db2.gz HAYJVTHDECRTLR-XKQJLSEDSA-N 0 3 322.424 3.037 20 10 DGCDHN CN(Cc1ccc(Br)nc1)Cc1ccccc1O ZINC001474377011 1183911620 /nfs/dbraw/zinc/91/16/20/1183911620.db2.gz YOCBKUVGNMMAHV-UHFFFAOYSA-N 0 3 307.191 3.182 20 10 DGCDHN CO[C@@]1(C(F)(F)F)CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC001474683690 1183961787 /nfs/dbraw/zinc/96/17/87/1183961787.db2.gz PWEWSPAMYWYJGR-HNNXBMFYSA-N 0 3 316.367 3.214 20 10 DGCDHN CCCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001537477920 1188077133 /nfs/dbraw/zinc/07/71/33/1188077133.db2.gz OLNNVMBIMACELQ-GOSISDBHSA-N 0 3 319.493 3.442 20 10 DGCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C ZINC001537484510 1188078158 /nfs/dbraw/zinc/07/81/58/1188078158.db2.gz WXPKUGSCNQOJDN-WMLDXEAASA-N 0 3 319.493 3.154 20 10 DGCDHN CCC[C@@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539707381 1188200056 /nfs/dbraw/zinc/20/00/56/1188200056.db2.gz RCXHWQOUAIWBBG-QAPCUYQASA-N 0 3 319.493 3.298 20 10 DGCDHN CCC(=CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CC ZINC001616858234 1193549546 /nfs/dbraw/zinc/54/95/46/1193549546.db2.gz JJSINMZCQAMYIG-GOSISDBHSA-N 0 3 317.477 3.218 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1ccc(NC(N)=O)cc1 ZINC001560259015 1189301623 /nfs/dbraw/zinc/30/16/23/1189301623.db2.gz UHCFEVPCEKMGAC-UHFFFAOYSA-N 0 3 322.412 3.267 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H](O)C2CCCCC2)cc1F ZINC001560307859 1189308882 /nfs/dbraw/zinc/30/88/82/1189308882.db2.gz OKKYMFVYXZEERN-KRWDZBQOSA-N 0 3 312.404 3.062 20 10 DGCDHN COC(=O)c1c(CN2C[C@@H](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC001560687727 1189360477 /nfs/dbraw/zinc/36/04/77/1189360477.db2.gz OGMAXGMZJLPJSG-VXGBXAGGSA-N 0 3 318.392 3.192 20 10 DGCDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001560890701 1189401097 /nfs/dbraw/zinc/40/10/97/1189401097.db2.gz ONENTSLGQRSSKN-JSGCOSHPSA-N 0 3 323.408 3.331 20 10 DGCDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001560890701 1189401100 /nfs/dbraw/zinc/40/11/00/1189401100.db2.gz ONENTSLGQRSSKN-JSGCOSHPSA-N 0 3 323.408 3.331 20 10 DGCDHN COc1cc(C)c(CN2CCC[C@@H]2c2cc(C)no2)c(O)c1 ZINC001621184151 1193813263 /nfs/dbraw/zinc/81/32/63/1193813263.db2.gz IAWCXVHOHOOUQP-OAHLLOKOSA-N 0 3 302.374 3.343 20 10 DGCDHN Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001621279546 1193826357 /nfs/dbraw/zinc/82/63/57/1193826357.db2.gz ZMLZSIXKEARLCT-UHFFFAOYSA-N 0 3 300.358 3.283 20 10 DGCDHN Cc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001621279546 1193826369 /nfs/dbraw/zinc/82/63/69/1193826369.db2.gz ZMLZSIXKEARLCT-UHFFFAOYSA-N 0 3 300.358 3.283 20 10 DGCDHN CCC(C)(CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001627463758 1194130409 /nfs/dbraw/zinc/13/04/09/1194130409.db2.gz FGFFZEPWTQRXNV-KRWDZBQOSA-N 0 3 319.493 3.298 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001641902229 1194878351 /nfs/dbraw/zinc/87/83/51/1194878351.db2.gz KJIDDQHRPPSZIJ-PKOBYXMFSA-N 0 3 319.445 3.332 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001641902229 1194878353 /nfs/dbraw/zinc/87/83/53/1194878353.db2.gz KJIDDQHRPPSZIJ-PKOBYXMFSA-N 0 3 319.445 3.332 20 10 DGCDHN CCCN(CCC)c1ccc(CNCC2OCCCO2)cc1 ZINC001651365937 1195450292 /nfs/dbraw/zinc/45/02/92/1195450292.db2.gz ISNMQGZIURFPTJ-UHFFFAOYSA-N 0 3 306.450 3.166 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)CCOc2ccc(F)cc2)c([O-])c1 ZINC001652066682 1195543370 /nfs/dbraw/zinc/54/33/70/1195543370.db2.gz CQDRWJCISISMGB-UHFFFAOYSA-N 0 3 319.376 3.359 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)CCOc2ccc(F)cc2)c([O-])c1 ZINC001652066682 1195543373 /nfs/dbraw/zinc/54/33/73/1195543373.db2.gz CQDRWJCISISMGB-UHFFFAOYSA-N 0 3 319.376 3.359 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cnc3ccccc3n2)c1 ZINC001652404445 1195593678 /nfs/dbraw/zinc/59/36/78/1195593678.db2.gz PKOUZGBGNGUJQF-GFCCVEGCSA-N 0 3 309.369 3.195 20 10 DGCDHN COC(=O)c1ccc(CN[C@H](C)c2ccccc2O)c(F)c1 ZINC001655349470 1195907007 /nfs/dbraw/zinc/90/70/07/1195907007.db2.gz JKRSXYZGTYPMFZ-LLVKDONJSA-N 0 3 303.333 3.169 20 10 DGCDHN COc1ccccc1-n1nccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001658523797 1196269759 /nfs/dbraw/zinc/26/97/59/1196269759.db2.gz KHKBARXDALDDIS-AWEZNQCLSA-N 0 3 323.396 3.437 20 10 DGCDHN CCN1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H](C)C1 ZINC001659766203 1196413264 /nfs/dbraw/zinc/41/32/64/1196413264.db2.gz PMISHDASNQHBDK-AWEZNQCLSA-N 0 3 320.477 3.224 20 10 DGCDHN CCC[C@H](CCO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001659841591 1196420304 /nfs/dbraw/zinc/42/03/04/1196420304.db2.gz PMSFGGHJTBHLND-CYBMUJFWSA-N 0 3 316.239 3.104 20 10 DGCDHN CC[C@H](C)[C@@H](CNCc1cc(F)c(N(C)C)cc1F)OC ZINC001662495344 1196725281 /nfs/dbraw/zinc/72/52/81/1196725281.db2.gz HGGUHYRGUYBEDK-MEDUHNTESA-N 0 3 300.393 3.182 20 10 DGCDHN COc1cccc(CNCc2cnn(-c3ccccc3C)c2)c1O ZINC001664594886 1197018601 /nfs/dbraw/zinc/01/86/01/1197018601.db2.gz HNHVSIZSJBRKRO-UHFFFAOYSA-N 0 3 323.396 3.185 20 10 DGCDHN Cc1ccc(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001664762021 1197054032 /nfs/dbraw/zinc/05/40/32/1197054032.db2.gz UJMKKUCJQBSFTQ-UHFFFAOYSA-N 0 3 320.433 3.188 20 10 DGCDHN Cc1ccc(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001664762021 1197054038 /nfs/dbraw/zinc/05/40/38/1197054038.db2.gz UJMKKUCJQBSFTQ-UHFFFAOYSA-N 0 3 320.433 3.188 20 10 DGCDHN CC(C)CCOC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001666608719 1197272781 /nfs/dbraw/zinc/27/27/81/1197272781.db2.gz HRVDROLRBZNMRS-QGZVFWFLSA-N 0 3 321.465 3.128 20 10 DGCDHN Cc1ccc(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)c([O-])c1 ZINC001181206748 1083426714 /nfs/dbraw/zinc/42/67/14/1083426714.db2.gz YOVYTLHMRXGAPN-LUAWRHEFSA-N 0 3 324.424 3.010 20 10 DGCDHN CCC(=O)N[C@@H]1CCCN(Cc2ccc(N(CC)CC)cc2)C1 ZINC000092705816 1084663458 /nfs/dbraw/zinc/66/34/58/1084663458.db2.gz GHVTZNGQEHOWSC-QGZVFWFLSA-N 0 3 317.477 3.023 20 10 DGCDHN CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272619354 1088324872 /nfs/dbraw/zinc/32/48/72/1088324872.db2.gz VBMAPABMYPHLPN-KXBFYZLASA-N 0 3 316.445 3.148 20 10 DGCDHN CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272619354 1088324880 /nfs/dbraw/zinc/32/48/80/1088324880.db2.gz VBMAPABMYPHLPN-KXBFYZLASA-N 0 3 316.445 3.148 20 10 DGCDHN CC(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272619784 1088328377 /nfs/dbraw/zinc/32/83/77/1088328377.db2.gz ZHJDZELRYAGRIR-IBGZPJMESA-N 0 3 316.445 3.005 20 10 DGCDHN CC(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272619784 1088328394 /nfs/dbraw/zinc/32/83/94/1088328394.db2.gz ZHJDZELRYAGRIR-IBGZPJMESA-N 0 3 316.445 3.005 20 10 DGCDHN COc1ccccc1[C@H](O)C[N@H+](Cc1ccccc1[O-])C(C)C ZINC001203558456 1090613609 /nfs/dbraw/zinc/61/36/09/1090613609.db2.gz HTANVMVZHVDPRJ-GOSISDBHSA-N 0 3 315.413 3.345 20 10 DGCDHN COc1ccccc1[C@H](O)C[N@@H+](Cc1ccccc1[O-])C(C)C ZINC001203558456 1090613611 /nfs/dbraw/zinc/61/36/11/1090613611.db2.gz HTANVMVZHVDPRJ-GOSISDBHSA-N 0 3 315.413 3.345 20 10 DGCDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2[O-])C1 ZINC001203558553 1090614110 /nfs/dbraw/zinc/61/41/10/1090614110.db2.gz MVNAEWFGALSTSK-DZGCQCFKSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC001203558553 1090614113 /nfs/dbraw/zinc/61/41/13/1090614113.db2.gz MVNAEWFGALSTSK-DZGCQCFKSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[O-] ZINC001203550140 1090753326 /nfs/dbraw/zinc/75/33/26/1090753326.db2.gz JPOWJZZZMRGISB-AWEZNQCLSA-N 0 3 320.433 3.224 20 10 DGCDHN C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[O-] ZINC001203550140 1090753330 /nfs/dbraw/zinc/75/33/30/1090753330.db2.gz JPOWJZZZMRGISB-AWEZNQCLSA-N 0 3 320.433 3.224 20 10 DGCDHN Oc1ccc(CN2CCC3(COc4ccccc43)CC2)cc1O ZINC001203881854 1090826301 /nfs/dbraw/zinc/82/63/01/1090826301.db2.gz VEJIHRVECSZLKH-UHFFFAOYSA-N 0 3 311.381 3.024 20 10 DGCDHN CN(C)c1ccc(CN2CCN3CCc4ccccc4[C@H]3C2)cc1 ZINC001203937645 1090844120 /nfs/dbraw/zinc/84/41/20/1090844120.db2.gz IMIGFLORZAZHOV-OAQYLSRUSA-N 0 3 321.468 3.168 20 10 DGCDHN C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(O)cc1[O-] ZINC001204275615 1090938084 /nfs/dbraw/zinc/93/80/84/1090938084.db2.gz XGBMEAWGJYHWTD-UHFFFAOYSA-N 0 3 322.202 3.492 20 10 DGCDHN C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(O)cc1[O-] ZINC001204275615 1090938085 /nfs/dbraw/zinc/93/80/85/1090938085.db2.gz XGBMEAWGJYHWTD-UHFFFAOYSA-N 0 3 322.202 3.492 20 10 DGCDHN O=C(c1ccccc1)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204273090 1090938148 /nfs/dbraw/zinc/93/81/48/1090938148.db2.gz XMOWNEJFZGMHCV-UHFFFAOYSA-N 0 3 311.381 3.193 20 10 DGCDHN C[C@]1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCCO1 ZINC001205101919 1091102637 /nfs/dbraw/zinc/10/26/37/1091102637.db2.gz YOHVOEMNGXQVSA-IEBWSBKVSA-N 0 3 319.445 3.332 20 10 DGCDHN C[C@]1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCCO1 ZINC001205101919 1091102638 /nfs/dbraw/zinc/10/26/38/1091102638.db2.gz YOHVOEMNGXQVSA-IEBWSBKVSA-N 0 3 319.445 3.332 20 10 DGCDHN CN1CCCc2cc(C[N@@H+]3CCc4cccc([O-])c4C3)ccc21 ZINC001138356971 1091152342 /nfs/dbraw/zinc/15/23/42/1091152342.db2.gz WPXWIRSATGTSCE-UHFFFAOYSA-N 0 3 308.425 3.333 20 10 DGCDHN CN1CCCc2cc(C[N@H+]3CCc4cccc([O-])c4C3)ccc21 ZINC001138356971 1091152348 /nfs/dbraw/zinc/15/23/48/1091152348.db2.gz WPXWIRSATGTSCE-UHFFFAOYSA-N 0 3 308.425 3.333 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@H]3CCO[C@H]3C2)c(OC)c1 ZINC001138386524 1091161608 /nfs/dbraw/zinc/16/16/08/1091161608.db2.gz POZXTMNOLDPZSV-BEFAXECRSA-N 0 3 318.461 3.152 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H]3OCC[C@H]3C2)c(OC)c1 ZINC001138390436 1091164939 /nfs/dbraw/zinc/16/49/39/1091164939.db2.gz WZQQUAWHVCQKMF-FUHWJXTLSA-N 0 3 318.461 3.152 20 10 DGCDHN C[C@H]1[C@H](C[NH3+])CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001205916172 1091412295 /nfs/dbraw/zinc/41/22/95/1091412295.db2.gz SGYMDEUOKFJRHH-UWVGGRQHSA-N 0 3 303.233 3.258 20 10 DGCDHN Oc1cccc2c1CN(Cc1ccc(N3CCCCC3)nc1)CC2 ZINC001139344593 1091524982 /nfs/dbraw/zinc/52/49/82/1091524982.db2.gz AVOJVKIODZVUDJ-UHFFFAOYSA-N 0 3 323.440 3.336 20 10 DGCDHN Cc1cc(CN2CC[C@@]3(C2)CC(F)(F)CO3)ccc1N(C)C ZINC001139673204 1091639737 /nfs/dbraw/zinc/63/97/37/1091639737.db2.gz CLKPCRWFRMCCFL-INIZCTEOSA-N 0 3 310.388 3.061 20 10 DGCDHN C[C@@]1(C[NH3+])CCCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001206574160 1091674639 /nfs/dbraw/zinc/67/46/39/1091674639.db2.gz PVAPMUZKPQTZOF-HNNXBMFYSA-N 0 3 300.805 3.136 20 10 DGCDHN [O-]c1ccc(F)cc1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001140063759 1091755038 /nfs/dbraw/zinc/75/50/38/1091755038.db2.gz YWNUSQYYUNXXIL-UHFFFAOYSA-N 0 3 318.436 3.372 20 10 DGCDHN [O-]c1ccc(F)cc1CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001140063759 1091755042 /nfs/dbraw/zinc/75/50/42/1091755042.db2.gz YWNUSQYYUNXXIL-UHFFFAOYSA-N 0 3 318.436 3.372 20 10 DGCDHN C[N@H+](Cc1ccc(-c2cncnc2)cc1)Cc1ccccc1[O-] ZINC001140356579 1091840659 /nfs/dbraw/zinc/84/06/59/1091840659.db2.gz LEUIUFJPMZXXIL-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN C[N@@H+](Cc1ccc(-c2cncnc2)cc1)Cc1ccccc1[O-] ZINC001140356579 1091840662 /nfs/dbraw/zinc/84/06/62/1091840662.db2.gz LEUIUFJPMZXXIL-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN Cc1ccc(O)c(CN2CCC[C@H]2C(=O)Nc2ccccc2)c1 ZINC001140624259 1091936471 /nfs/dbraw/zinc/93/64/71/1091936471.db2.gz NJVPYVOYAHTGAY-KRWDZBQOSA-N 0 3 310.397 3.304 20 10 DGCDHN Cc1ccc(CN2CCN(c3cc(Cl)ccn3)CC2)c(O)c1 ZINC001140951078 1092077338 /nfs/dbraw/zinc/07/73/38/1092077338.db2.gz XXVIRXNMFTZDPM-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140952391 1092078106 /nfs/dbraw/zinc/07/81/06/1092078106.db2.gz PXGJBJUISWOYLX-QFBILLFUSA-N 0 3 319.445 3.108 20 10 DGCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140952391 1092078111 /nfs/dbraw/zinc/07/81/11/1092078111.db2.gz PXGJBJUISWOYLX-QFBILLFUSA-N 0 3 319.445 3.108 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC001140953866 1092078915 /nfs/dbraw/zinc/07/89/15/1092078915.db2.gz ICFYVMDOFGSPRP-GJZGRUSLSA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC001140953866 1092078922 /nfs/dbraw/zinc/07/89/22/1092078922.db2.gz ICFYVMDOFGSPRP-GJZGRUSLSA-N 0 3 305.418 3.112 20 10 DGCDHN C[N@H+](Cc1cccc(-c2ncccn2)c1)Cc1ccccc1[O-] ZINC001140980770 1092093831 /nfs/dbraw/zinc/09/38/31/1092093831.db2.gz KDNOVVLBPAEGTB-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN C[N@@H+](Cc1cccc(-c2ncccn2)c1)Cc1ccccc1[O-] ZINC001140980770 1092093837 /nfs/dbraw/zinc/09/38/37/1092093837.db2.gz KDNOVVLBPAEGTB-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]CCC2CSC2)c1[O-] ZINC001207844500 1092118324 /nfs/dbraw/zinc/11/83/24/1092118324.db2.gz NVJRVHBTLDTCLO-UHFFFAOYSA-N 0 3 316.264 3.306 20 10 DGCDHN CN1CCOc2cc(CN3CC[C@H](Oc4ccccc4)C3)ccc21 ZINC001141143151 1092148430 /nfs/dbraw/zinc/14/84/30/1092148430.db2.gz PBEUCEGWPKQVCX-SFHVURJKSA-N 0 3 324.424 3.169 20 10 DGCDHN CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCCN2C ZINC001141139158 1092148459 /nfs/dbraw/zinc/14/84/59/1092148459.db2.gz LCRVPZLQAXFXKI-UHFFFAOYSA-N 0 3 300.377 3.286 20 10 DGCDHN CN1CCOc2cc(CN3CC[C@@H](F)C(F)(F)CC3)ccc21 ZINC001141141110 1092149224 /nfs/dbraw/zinc/14/92/24/1092149224.db2.gz UDUZZDAJQOTABM-OAHLLOKOSA-N 0 3 314.351 3.084 20 10 DGCDHN CC[N@H+](Cc1ccc2c(c1)OCCN2C)Cc1ccccc1[O-] ZINC001141144810 1092150439 /nfs/dbraw/zinc/15/04/39/1092150439.db2.gz LJYCXOBJVUVHOM-UHFFFAOYSA-N 0 3 312.413 3.243 20 10 DGCDHN CC[N@@H+](Cc1ccc2c(c1)OCCN2C)Cc1ccccc1[O-] ZINC001141144810 1092150441 /nfs/dbraw/zinc/15/04/41/1092150441.db2.gz LJYCXOBJVUVHOM-UHFFFAOYSA-N 0 3 312.413 3.243 20 10 DGCDHN CN(CCC(=O)c1ccccc1)Cc1ccc2c(c1)OCCN2C ZINC001141144069 1092150720 /nfs/dbraw/zinc/15/07/20/1092150720.db2.gz VNDRVMZFJHIRIR-UHFFFAOYSA-N 0 3 324.424 3.220 20 10 DGCDHN C[N@H+](Cc1ccc(-c2ncccn2)cc1)Cc1ccccc1[O-] ZINC001141190712 1092167718 /nfs/dbraw/zinc/16/77/18/1092167718.db2.gz RTEFVMQZUWIFOR-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN C[N@@H+](Cc1ccc(-c2ncccn2)cc1)Cc1ccccc1[O-] ZINC001141190712 1092167721 /nfs/dbraw/zinc/16/77/21/1092167721.db2.gz RTEFVMQZUWIFOR-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+](C)Cc1ccccc1[O-] ZINC001208228442 1092285676 /nfs/dbraw/zinc/28/56/76/1092285676.db2.gz ZTZOQVQEFUFPNW-CQSZACIVSA-N 0 3 313.397 3.432 20 10 DGCDHN C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](C)Cc1ccccc1[O-] ZINC001208228442 1092285681 /nfs/dbraw/zinc/28/56/81/1092285681.db2.gz ZTZOQVQEFUFPNW-CQSZACIVSA-N 0 3 313.397 3.432 20 10 DGCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001168819993 1092396205 /nfs/dbraw/zinc/39/62/05/1092396205.db2.gz XABWROMBTCSVEX-RDBSUJKOSA-N 0 3 320.433 3.441 20 10 DGCDHN CC(C)(C)c1cccc(CN2CCN(CC3CC3)CC2)c1O ZINC001143111053 1092616640 /nfs/dbraw/zinc/61/66/40/1092616640.db2.gz VSDVDDUTIVWDRS-UHFFFAOYSA-N 0 3 302.462 3.217 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(CN2CC(N3CCCC3)C2)cc1 ZINC001209517200 1092805894 /nfs/dbraw/zinc/80/58/94/1092805894.db2.gz FAAXINOFWLPRED-UHFFFAOYSA-N 0 3 309.457 3.374 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210311785 1093121107 /nfs/dbraw/zinc/12/11/07/1093121107.db2.gz OJXSHRNPBBFDBS-QGZVFWFLSA-N 0 3 316.832 3.062 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210355008 1093134670 /nfs/dbraw/zinc/13/46/70/1093134670.db2.gz GZZBGKGSUJAHDG-QGZVFWFLSA-N 0 3 316.832 3.062 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC000183212100 1093995548 /nfs/dbraw/zinc/99/55/48/1093995548.db2.gz DKDIGJVHTCPONS-KRWDZBQOSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC000183212100 1093995550 /nfs/dbraw/zinc/99/55/50/1093995550.db2.gz DKDIGJVHTCPONS-KRWDZBQOSA-N 0 3 317.360 3.193 20 10 DGCDHN CC(C)C(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134883235 1094323408 /nfs/dbraw/zinc/32/34/08/1094323408.db2.gz ZLCYWWPYKTVTKS-KRWDZBQOSA-N 0 3 319.493 3.154 20 10 DGCDHN c1ccc(/N=N/c2ccc(O[C@@H]3CN4C[C@H]3NCC4)cc2)cc1 ZINC001218109263 1094608746 /nfs/dbraw/zinc/60/87/46/1094608746.db2.gz KUAQHGQQDFYCBX-CQOSDQHZSA-N 0 3 308.385 3.137 20 10 DGCDHN C[C@@H](N)C(=O)N(c1ccc(N)cc1)c1ccc2ccccc2c1N ZINC001219471836 1094980544 /nfs/dbraw/zinc/98/05/44/1094980544.db2.gz VEEYIRIWTHVUME-GFCCVEGCSA-N 0 3 320.396 3.016 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171099763 1095364409 /nfs/dbraw/zinc/36/44/09/1095364409.db2.gz KYZRNYWTJILHCM-HNNXBMFYSA-N 0 3 303.789 3.398 20 10 DGCDHN CCOc1ccc(N2CCN(CCCOC(C)(C)C)CC2)cc1 ZINC001116415602 1095543902 /nfs/dbraw/zinc/54/39/02/1095543902.db2.gz CAZZFCHJNYZEDK-UHFFFAOYSA-N 0 3 320.477 3.413 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171513077 1096915448 /nfs/dbraw/zinc/91/54/48/1096915448.db2.gz TUTKQYDRWJZHTA-LLVKDONJSA-N 0 3 323.314 3.162 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+](C)CCC2CC2)c1[O-] ZINC001231556681 1097778980 /nfs/dbraw/zinc/77/89/80/1097778980.db2.gz LUGVXEWAWWYEPV-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1ccc(Br)c(CN(C)CCC2CC2)c1O ZINC001231556681 1097778983 /nfs/dbraw/zinc/77/89/83/1097778983.db2.gz LUGVXEWAWWYEPV-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN CCCCN(C)Cc1c(Br)ccc(OC)c1O ZINC001231547863 1097777295 /nfs/dbraw/zinc/77/72/95/1097777295.db2.gz KOOPOBAGOXFTLJ-UHFFFAOYSA-N 0 3 302.212 3.395 20 10 DGCDHN COc1ccc(Br)c(C[N@H+](C)CCC2CC2)c1[O-] ZINC001231556681 1097778976 /nfs/dbraw/zinc/77/89/76/1097778976.db2.gz LUGVXEWAWWYEPV-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c(C)cc(C)cc1O ZINC001231846140 1097861610 /nfs/dbraw/zinc/86/16/10/1097861610.db2.gz BXSOWSZKUGLNOS-MPGHIAIKSA-N 0 3 317.429 3.173 20 10 DGCDHN COc1cc(N(C)C)ccc1CN1CCC(OC2CCC2)CC1 ZINC001231851477 1097865119 /nfs/dbraw/zinc/86/51/19/1097865119.db2.gz HYBLYLOXCULZRD-UHFFFAOYSA-N 0 3 318.461 3.295 20 10 DGCDHN CCC[N@H+]1C[C@H]2CN(Cc3cc(Cl)c(C)cc3[O-])C[C@H]2C1 ZINC001231871457 1097872185 /nfs/dbraw/zinc/87/21/85/1097872185.db2.gz KZRQACDBZZZWCE-GASCZTMLSA-N 0 3 308.853 3.128 20 10 DGCDHN CCC[N@@H+]1C[C@H]2CN(Cc3cc(Cl)c(C)cc3[O-])C[C@H]2C1 ZINC001231871457 1097872194 /nfs/dbraw/zinc/87/21/94/1097872194.db2.gz KZRQACDBZZZWCE-GASCZTMLSA-N 0 3 308.853 3.128 20 10 DGCDHN COc1cccc2[nH]cc(C[N@@H+]3CCc4cccc([O-])c4C3)c21 ZINC001232038849 1097923356 /nfs/dbraw/zinc/92/33/56/1097923356.db2.gz QNAZBASVSLCWSD-UHFFFAOYSA-N 0 3 308.381 3.440 20 10 DGCDHN COc1cccc2[nH]cc(C[N@H+]3CCc4cccc([O-])c4C3)c21 ZINC001232038849 1097923362 /nfs/dbraw/zinc/92/33/62/1097923362.db2.gz QNAZBASVSLCWSD-UHFFFAOYSA-N 0 3 308.381 3.440 20 10 DGCDHN Cc1nc(Br)ccc1CN(C)Cc1ccccc1O ZINC001232325624 1098005114 /nfs/dbraw/zinc/00/51/14/1098005114.db2.gz XXOLSWIXTOZEDR-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN COC(=O)c1c(CN2CCC[C@H](F)CC2)c2ccccc2n1C ZINC001232403133 1098029246 /nfs/dbraw/zinc/02/92/46/1098029246.db2.gz URXIORFVRUJZDF-ZDUSSCGKSA-N 0 3 318.392 3.289 20 10 DGCDHN COC(=O)c1cccc2c(C[N@H+](C)Cc3ccccc3[O-])c[nH]c21 ZINC001232709849 1098119174 /nfs/dbraw/zinc/11/91/74/1098119174.db2.gz GRUQKXHDWVIMBN-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN COC(=O)c1cccc2c(C[N@@H+](C)Cc3ccccc3[O-])c[nH]c21 ZINC001232709849 1098119177 /nfs/dbraw/zinc/11/91/77/1098119177.db2.gz GRUQKXHDWVIMBN-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2CCOC3(CCOCC3)C2)c1 ZINC001233286869 1098275931 /nfs/dbraw/zinc/27/59/31/1098275931.db2.gz MDFYVESMDLGQKG-UHFFFAOYSA-N 0 3 319.445 3.071 20 10 DGCDHN CC(=O)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233760890 1098425564 /nfs/dbraw/zinc/42/55/64/1098425564.db2.gz NBULXEYWAIXCPA-UHFFFAOYSA-N 0 3 317.307 3.092 20 10 DGCDHN c1[nH]nc(-c2ccccc2)c1CNCc1ccc2c(c1)CCO2 ZINC001177586786 1098559084 /nfs/dbraw/zinc/55/90/84/1098559084.db2.gz KDWJOJNDBHSMHL-UHFFFAOYSA-N 0 3 305.381 3.301 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@](C)(O)[C@H](C)C3)c2c1 ZINC001234526247 1098580037 /nfs/dbraw/zinc/58/00/37/1098580037.db2.gz RMXBERSNCNWRHF-BFUOFWGJSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@](C)(O)[C@H](C)C3)c2c1 ZINC001234526247 1098580043 /nfs/dbraw/zinc/58/00/43/1098580043.db2.gz RMXBERSNCNWRHF-BFUOFWGJSA-N 0 3 315.413 3.147 20 10 DGCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234992084 1098735509 /nfs/dbraw/zinc/73/55/09/1098735509.db2.gz AILQATDEFVCZOC-MRXNPFEDSA-N 0 3 311.381 3.054 20 10 DGCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234992084 1098735519 /nfs/dbraw/zinc/73/55/19/1098735519.db2.gz AILQATDEFVCZOC-MRXNPFEDSA-N 0 3 311.381 3.054 20 10 DGCDHN C[N@H+](CCC1OCCO1)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993878 1098739350 /nfs/dbraw/zinc/73/93/50/1098739350.db2.gz CGDVYPCFKGRWCW-UHFFFAOYSA-N 0 3 313.397 3.254 20 10 DGCDHN C[N@@H+](CCC1OCCO1)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993878 1098739360 /nfs/dbraw/zinc/73/93/60/1098739360.db2.gz CGDVYPCFKGRWCW-UHFFFAOYSA-N 0 3 313.397 3.254 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@H]3[NH2+]CC[C@@H]32)cc1Cl ZINC001235238846 1098911045 /nfs/dbraw/zinc/91/10/45/1098911045.db2.gz ATNGGAKACNRCDB-CABCVRRESA-N 0 3 308.853 3.279 20 10 DGCDHN Cc1cc(C[N@@H+](C)Cc2ccccc2[O-])cc(C)c1OCCO ZINC001235372291 1098984324 /nfs/dbraw/zinc/98/43/24/1098984324.db2.gz IQEBKSPKGSEMNN-UHFFFAOYSA-N 0 3 315.413 3.012 20 10 DGCDHN Cc1cc(C[N@H+](C)Cc2ccccc2[O-])cc(C)c1OCCO ZINC001235372291 1098984332 /nfs/dbraw/zinc/98/43/32/1098984332.db2.gz IQEBKSPKGSEMNN-UHFFFAOYSA-N 0 3 315.413 3.012 20 10 DGCDHN CCC[C@H](CNCc1cc(F)c(N(C)C)cc1F)OCC ZINC001179247740 1099045720 /nfs/dbraw/zinc/04/57/20/1099045720.db2.gz KHXOMISCKTYURU-CYBMUJFWSA-N 0 3 300.393 3.326 20 10 DGCDHN CC(C)(C)c1ccc(CN2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001235673958 1099118429 /nfs/dbraw/zinc/11/84/29/1099118429.db2.gz BYPQSVDCVWBFNU-OAHLLOKOSA-N 0 3 317.351 3.189 20 10 DGCDHN C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001235679211 1099122194 /nfs/dbraw/zinc/12/21/94/1099122194.db2.gz DNFVHVZTGFPWEW-MRXNPFEDSA-N 0 3 319.445 3.417 20 10 DGCDHN C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001235679211 1099122198 /nfs/dbraw/zinc/12/21/98/1099122198.db2.gz DNFVHVZTGFPWEW-MRXNPFEDSA-N 0 3 319.445 3.417 20 10 DGCDHN COC(=O)C1(C)CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235681656 1099123709 /nfs/dbraw/zinc/12/37/09/1099123709.db2.gz BPRDTDXZXBFIAI-UHFFFAOYSA-N 0 3 319.445 3.465 20 10 DGCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c([O-])c1 ZINC001235682138 1099124165 /nfs/dbraw/zinc/12/41/65/1099124165.db2.gz NPSJOPYFEZFDFW-UHFFFAOYSA-N 0 3 317.429 3.014 20 10 DGCDHN CC(=O)N1CCC([N@H+](C)Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235685929 1099126069 /nfs/dbraw/zinc/12/60/69/1099126069.db2.gz VOYHDSOLXICVPQ-UHFFFAOYSA-N 0 3 318.461 3.132 20 10 DGCDHN CC(=O)N1CCC([N@@H+](C)Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235685929 1099126073 /nfs/dbraw/zinc/12/60/73/1099126073.db2.gz VOYHDSOLXICVPQ-UHFFFAOYSA-N 0 3 318.461 3.132 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235734088 1099154168 /nfs/dbraw/zinc/15/41/68/1099154168.db2.gz AZNXWLHLIGGXHY-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236127110 1099416150 /nfs/dbraw/zinc/41/61/50/1099416150.db2.gz YMIIISGLJUGWHX-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN CC[C@H](C)[N@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236744678 1099767004 /nfs/dbraw/zinc/76/70/04/1099767004.db2.gz AUOBGBOPXBTNMA-VIFPVBQESA-N 0 3 302.212 3.394 20 10 DGCDHN CC[C@H](C)[N@@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236744678 1099767012 /nfs/dbraw/zinc/76/70/12/1099767012.db2.gz AUOBGBOPXBTNMA-VIFPVBQESA-N 0 3 302.212 3.394 20 10 DGCDHN COC[C@@H]1CCN1Cc1cc(OCc2ccccc2)ccc1O ZINC001236782049 1099780824 /nfs/dbraw/zinc/78/08/24/1099780824.db2.gz IHYWAICAYITASJ-KRWDZBQOSA-N 0 3 313.397 3.192 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(CC)cc2[O-])C[C@H]1C ZINC001236786726 1099783948 /nfs/dbraw/zinc/78/39/48/1099783948.db2.gz FAWRIPOIGATPCJ-GDBMZVCRSA-N 0 3 319.445 3.366 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(CC)cc2[O-])C[C@H]1C ZINC001236786726 1099783958 /nfs/dbraw/zinc/78/39/58/1099783958.db2.gz FAWRIPOIGATPCJ-GDBMZVCRSA-N 0 3 319.445 3.366 20 10 DGCDHN CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(CC)cc1[O-])C2 ZINC001236788152 1099785497 /nfs/dbraw/zinc/78/54/97/1099785497.db2.gz SFWLEEABPOVRNZ-PKOBYXMFSA-N 0 3 319.445 3.115 20 10 DGCDHN CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(CC)cc1[O-])C2 ZINC001236788152 1099785507 /nfs/dbraw/zinc/78/55/07/1099785507.db2.gz SFWLEEABPOVRNZ-PKOBYXMFSA-N 0 3 319.445 3.115 20 10 DGCDHN COc1cc([O-])c(CN2CCC([N@H+](C)C3CC3)CC2)c(Cl)c1 ZINC001236807754 1099798982 /nfs/dbraw/zinc/79/89/82/1099798982.db2.gz IIWWSGXBCKWONC-UHFFFAOYSA-N 0 3 324.852 3.113 20 10 DGCDHN COc1cc([O-])c(CN2CCC([N@@H+](C)C3CC3)CC2)c(Cl)c1 ZINC001236807754 1099798988 /nfs/dbraw/zinc/79/89/88/1099798988.db2.gz IIWWSGXBCKWONC-UHFFFAOYSA-N 0 3 324.852 3.113 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001236827883 1099812446 /nfs/dbraw/zinc/81/24/46/1099812446.db2.gz VYMLPTYXLZCIOT-GOSISDBHSA-N 0 3 303.377 3.232 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001236827883 1099812451 /nfs/dbraw/zinc/81/24/51/1099812451.db2.gz VYMLPTYXLZCIOT-GOSISDBHSA-N 0 3 303.377 3.232 20 10 DGCDHN CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc2ccccc2cc1[O-] ZINC001236829601 1099815217 /nfs/dbraw/zinc/81/52/17/1099815217.db2.gz IZCBGRIGBAMXKZ-HXUWFJFHSA-N 0 3 324.424 3.132 20 10 DGCDHN CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc2ccccc2cc1[O-] ZINC001236829601 1099815231 /nfs/dbraw/zinc/81/52/31/1099815231.db2.gz IZCBGRIGBAMXKZ-HXUWFJFHSA-N 0 3 324.424 3.132 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001236832643 1099818206 /nfs/dbraw/zinc/81/82/06/1099818206.db2.gz JQIDUFHKJMSPAM-IYBDPMFKSA-N 0 3 319.351 3.259 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001236832643 1099818213 /nfs/dbraw/zinc/81/82/13/1099818213.db2.gz JQIDUFHKJMSPAM-IYBDPMFKSA-N 0 3 319.351 3.259 20 10 DGCDHN O=C1CC[C@]2(CCC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)O1 ZINC001236834681 1099821764 /nfs/dbraw/zinc/82/17/64/1099821764.db2.gz BBQDBYOFAZOUPT-IBGZPJMESA-N 0 3 311.381 3.217 20 10 DGCDHN O=C1CC[C@]2(CCC[N@H+](Cc3cc4ccccc4cc3[O-])C2)O1 ZINC001236834681 1099821775 /nfs/dbraw/zinc/82/17/75/1099821775.db2.gz BBQDBYOFAZOUPT-IBGZPJMESA-N 0 3 311.381 3.217 20 10 DGCDHN COC(=O)c1cccc([C@H]2CCCN2Cc2ccc(N)cc2)c1 ZINC001236848118 1099831675 /nfs/dbraw/zinc/83/16/75/1099831675.db2.gz MVEKBSXXGGRUJV-GOSISDBHSA-N 0 3 310.397 3.393 20 10 DGCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC001237138158 1099988529 /nfs/dbraw/zinc/98/85/29/1099988529.db2.gz UNAFSFOGLLXIQT-JOCQHMNTSA-N 0 3 303.324 3.146 20 10 DGCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC001237138158 1099988535 /nfs/dbraw/zinc/98/85/35/1099988535.db2.gz UNAFSFOGLLXIQT-JOCQHMNTSA-N 0 3 303.324 3.146 20 10 DGCDHN COC[C@@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138872 1099988934 /nfs/dbraw/zinc/98/89/34/1099988934.db2.gz ZPIVNYXHOCOQHB-ZDUSSCGKSA-N 0 3 303.324 3.412 20 10 DGCDHN COC[C@@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138872 1099988944 /nfs/dbraw/zinc/98/89/44/1099988944.db2.gz ZPIVNYXHOCOQHB-ZDUSSCGKSA-N 0 3 303.324 3.412 20 10 DGCDHN COC[C@@H]1CCCCN1Cc1cc(C(F)(F)F)ccc1O ZINC001237138872 1099988956 /nfs/dbraw/zinc/98/89/56/1099988956.db2.gz ZPIVNYXHOCOQHB-ZDUSSCGKSA-N 0 3 303.324 3.412 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@H]1O ZINC001237138151 1099989395 /nfs/dbraw/zinc/98/93/95/1099989395.db2.gz UGJHXSUKRYAUTN-ZWNOBZJWSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@H]1O ZINC001237138151 1099989405 /nfs/dbraw/zinc/98/94/05/1099989405.db2.gz UGJHXSUKRYAUTN-ZWNOBZJWSA-N 0 3 303.324 3.004 20 10 DGCDHN CCCO[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138443 1099989886 /nfs/dbraw/zinc/98/98/86/1099989886.db2.gz DAOKADJDKWICHB-ZDUSSCGKSA-N 0 3 303.324 3.412 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC2(CCO2)CC1 ZINC001237141683 1099991664 /nfs/dbraw/zinc/99/16/64/1099991664.db2.gz ZLMKZVSXLHRMEE-UHFFFAOYSA-N 0 3 301.308 3.166 20 10 DGCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237485360 1100139748 /nfs/dbraw/zinc/13/97/48/1100139748.db2.gz HRYCTIWYYLSGOU-APWZRJJASA-N 0 3 319.445 3.108 20 10 DGCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237485360 1100139753 /nfs/dbraw/zinc/13/97/53/1100139753.db2.gz HRYCTIWYYLSGOU-APWZRJJASA-N 0 3 319.445 3.108 20 10 DGCDHN CC[C@@H]1[N@H+](Cc2c(C)cccc2[O-])CCC[C@]12CCC(=O)N2C ZINC001237487795 1100141514 /nfs/dbraw/zinc/14/15/14/1100141514.db2.gz DJMPRAGJKPQPOO-HKUYNNGSSA-N 0 3 316.445 3.066 20 10 DGCDHN CC[C@@H]1[N@@H+](Cc2c(C)cccc2[O-])CCC[C@]12CCC(=O)N2C ZINC001237487795 1100141515 /nfs/dbraw/zinc/14/15/15/1100141515.db2.gz DJMPRAGJKPQPOO-HKUYNNGSSA-N 0 3 316.445 3.066 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001237489909 1100141626 /nfs/dbraw/zinc/14/16/26/1100141626.db2.gz NUIFADJCECBBIA-UHFFFAOYSA-N 0 3 315.388 3.323 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCC[C@@H]1CO ZINC001237640949 1100199683 /nfs/dbraw/zinc/19/96/83/1100199683.db2.gz IKZLLXAZCQRZCJ-QGZVFWFLSA-N 0 3 301.361 3.155 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCC[C@@H]1CO ZINC001237640949 1100199687 /nfs/dbraw/zinc/19/96/87/1100199687.db2.gz IKZLLXAZCQRZCJ-QGZVFWFLSA-N 0 3 301.361 3.155 20 10 DGCDHN COc1cc(CN2CCc3c(C)cccc3C2)c(O)c(OC)c1 ZINC001237675395 1100210183 /nfs/dbraw/zinc/21/01/83/1100210183.db2.gz XBDKMIXPJHLGDK-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN COc1cc(CN(C)Cc2cccc(C)c2)c(O)c(OC)c1 ZINC001237675332 1100211023 /nfs/dbraw/zinc/21/10/23/1100211023.db2.gz WCLRMESIEVUXJU-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1cc(CN2CCC[C@@H]2c2ccccn2)c(O)c(OC)c1 ZINC001237677104 1100212331 /nfs/dbraw/zinc/21/23/31/1100212331.db2.gz XCZXHEAQBUOENU-MRXNPFEDSA-N 0 3 314.385 3.142 20 10 DGCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c1[O-] ZINC001237685186 1100213990 /nfs/dbraw/zinc/21/39/90/1100213990.db2.gz FHOCJOCNMRFWFA-CQSZACIVSA-N 0 3 313.800 3.447 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237688088 1100215068 /nfs/dbraw/zinc/21/50/68/1100215068.db2.gz DVBAQWAGJSCWPQ-LBPRGKRZSA-N 0 3 311.809 3.129 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237688088 1100215075 /nfs/dbraw/zinc/21/50/75/1100215075.db2.gz DVBAQWAGJSCWPQ-LBPRGKRZSA-N 0 3 311.809 3.129 20 10 DGCDHN CCN(CC[NH+]1CCCCC1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237949258 1100301284 /nfs/dbraw/zinc/30/12/84/1100301284.db2.gz JCEKPXOJAVVBFM-UHFFFAOYSA-N 0 3 314.832 3.493 20 10 DGCDHN CCc1noc(C2CCN(Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238068927 1100348007 /nfs/dbraw/zinc/34/80/07/1100348007.db2.gz GZOAUFZJBCFQGL-UHFFFAOYSA-N 0 3 319.380 3.165 20 10 DGCDHN Cn1ccc2c1cccc2-c1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001241822402 1101727857 /nfs/dbraw/zinc/72/78/57/1101727857.db2.gz TUZFCPVTNAXZEP-QGZVFWFLSA-N 0 3 318.424 3.445 20 10 DGCDHN O=C(Nc1ccc(CNCc2ccc3c(c2)CCO3)cc1)C1CC1 ZINC001199077627 1102059450 /nfs/dbraw/zinc/05/94/50/1102059450.db2.gz LAAGSYVYMLBFDW-UHFFFAOYSA-N 0 3 322.408 3.260 20 10 DGCDHN Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c(C)n1 ZINC001201573242 1102658106 /nfs/dbraw/zinc/65/81/06/1102658106.db2.gz PRFYFAUQIFVVFV-UHFFFAOYSA-N 0 3 310.445 3.062 20 10 DGCDHN C[C@H](O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001327263997 1103607107 /nfs/dbraw/zinc/60/71/07/1103607107.db2.gz NRICZDYLHXESRX-OXJNMPFZSA-N 0 3 310.441 3.499 20 10 DGCDHN COc1ccc2c(c1)CCN(Cc1cc(OC)c(C)cc1O)C2 ZINC001330045440 1104463074 /nfs/dbraw/zinc/46/30/74/1104463074.db2.gz JRIQOGUERGZVMD-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883943 1105186636 /nfs/dbraw/zinc/18/66/36/1105186636.db2.gz TYXOIVYKVTYCCQ-CYBMUJFWSA-N 0 3 310.869 3.479 20 10 DGCDHN CN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883943 1105186638 /nfs/dbraw/zinc/18/66/38/1105186638.db2.gz TYXOIVYKVTYCCQ-CYBMUJFWSA-N 0 3 310.869 3.479 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC23CCCCC3)c([O-])c1 ZINC001249178981 1105241202 /nfs/dbraw/zinc/24/12/02/1105241202.db2.gz XOYKQHVTXNUSJN-UHFFFAOYSA-N 0 3 303.402 3.016 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CCC23CCCCC3)c([O-])c1 ZINC001249178981 1105241204 /nfs/dbraw/zinc/24/12/04/1105241204.db2.gz XOYKQHVTXNUSJN-UHFFFAOYSA-N 0 3 303.402 3.016 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+](C)CC2CCCCC2)c([O-])c1 ZINC001249208211 1105247751 /nfs/dbraw/zinc/24/77/51/1105247751.db2.gz PZBNBMJGOPLOQK-UHFFFAOYSA-N 0 3 305.418 3.120 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+](C)CC2CCCCC2)c([O-])c1 ZINC001249208211 1105247755 /nfs/dbraw/zinc/24/77/55/1105247755.db2.gz PZBNBMJGOPLOQK-UHFFFAOYSA-N 0 3 305.418 3.120 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001249216533 1105248821 /nfs/dbraw/zinc/24/88/21/1105248821.db2.gz CPMZFQLYWOPZMY-HZPDHXFCSA-N 0 3 317.429 3.120 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001249216533 1105248823 /nfs/dbraw/zinc/24/88/23/1105248823.db2.gz CPMZFQLYWOPZMY-HZPDHXFCSA-N 0 3 317.429 3.120 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@]4(CCCO4)C3)ccc2O1 ZINC001249230628 1105252258 /nfs/dbraw/zinc/25/22/58/1105252258.db2.gz NSZLGWKNGXNNBC-LJQANCHMSA-N 0 3 315.413 3.331 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@]4(CCCO4)C3)ccc2O1 ZINC001249230628 1105252261 /nfs/dbraw/zinc/25/22/61/1105252261.db2.gz NSZLGWKNGXNNBC-LJQANCHMSA-N 0 3 315.413 3.331 20 10 DGCDHN Cc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1F ZINC001249339111 1105270771 /nfs/dbraw/zinc/27/07/71/1105270771.db2.gz JEQVSDCVRUOMIJ-CYBMUJFWSA-N 0 3 313.332 3.132 20 10 DGCDHN CC(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2[O-])cc1 ZINC001250768775 1105579940 /nfs/dbraw/zinc/57/99/40/1105579940.db2.gz GOSYDYXHDGLMNT-QGZVFWFLSA-N 0 3 315.413 3.045 20 10 DGCDHN C[C@H]([NH2+]C[C@H](O)CCOCc1ccccc1)c1ccccc1[O-] ZINC001253295354 1105921242 /nfs/dbraw/zinc/92/12/42/1105921242.db2.gz YXPCELQOIFNYBM-DOTOQJQBSA-N 0 3 315.413 3.011 20 10 DGCDHN CC1=C(C)CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001321091546 1107246113 /nfs/dbraw/zinc/24/61/13/1107246113.db2.gz YOPPNYSOSFZWLZ-UHFFFAOYSA-N 0 3 317.452 3.120 20 10 DGCDHN COc1ccc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c([O-])c1OC ZINC001262357186 1107687555 /nfs/dbraw/zinc/68/75/55/1107687555.db2.gz BSCHMLKRCRXYGM-OLZOCXBDSA-N 0 3 311.447 3.125 20 10 DGCDHN COc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c([O-])c1OC ZINC001262357186 1107687559 /nfs/dbraw/zinc/68/75/59/1107687559.db2.gz BSCHMLKRCRXYGM-OLZOCXBDSA-N 0 3 311.447 3.125 20 10 DGCDHN CN(Cc1ccc(-c2ccccn2)nc1)Cc1ccccc1O ZINC001307537737 1111312984 /nfs/dbraw/zinc/31/29/84/1111312984.db2.gz IYLHHEXAPJUXTH-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN CN1CCCc2cc(CNCc3cnn4ccccc34)ccc21 ZINC001308229660 1111401545 /nfs/dbraw/zinc/40/15/45/1111401545.db2.gz HFUWKLNACCKZJH-UHFFFAOYSA-N 0 3 306.413 3.007 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2CCCCS2)cc1F ZINC001308342522 1111419150 /nfs/dbraw/zinc/41/91/50/1111419150.db2.gz IKBYGNLPFHWGDP-GFCCVEGCSA-N 0 3 300.418 3.406 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(-c3cc[nH]n3)o2)c1 ZINC001308449749 1111429983 /nfs/dbraw/zinc/42/99/83/1111429983.db2.gz AXZICBQALXYJMT-LLVKDONJSA-N 0 3 313.357 3.235 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1 ZINC001308638761 1111454413 /nfs/dbraw/zinc/45/44/13/1111454413.db2.gz IWPDTQFPVDNCKA-ZBFHGGJFSA-N 0 3 307.434 3.393 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC001308766504 1111472287 /nfs/dbraw/zinc/47/22/87/1111472287.db2.gz NOVVHDBKCFLBNJ-UHFFFAOYSA-N 0 3 313.731 3.492 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c([O-])c1 ZINC001308938648 1111496367 /nfs/dbraw/zinc/49/63/67/1111496367.db2.gz OVNZYFIUFHDECJ-OXJNMPFZSA-N 0 3 309.409 3.483 20 10 DGCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c([O-])c1 ZINC001308938648 1111496370 /nfs/dbraw/zinc/49/63/70/1111496370.db2.gz OVNZYFIUFHDECJ-OXJNMPFZSA-N 0 3 309.409 3.483 20 10 DGCDHN CCOc1cccc(CN(C)Cc2ccc(OC)c(O)c2)c1O ZINC000092404968 185316312 /nfs/dbraw/zinc/31/63/12/185316312.db2.gz LCWRBJCNRAZFBW-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnn(C)c2)c1[O-] ZINC000187048941 301070640 /nfs/dbraw/zinc/07/06/40/301070640.db2.gz CRYYYLWBQBSHLG-SNVBAGLBSA-N 0 3 324.222 3.047 20 10 DGCDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccccc1O ZINC000179585175 432063849 /nfs/dbraw/zinc/06/38/49/432063849.db2.gz PISXLGGYPIOIFG-LRTDBIEQSA-N 0 3 303.427 3.323 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCC([NH+]3CCCC3)CC2)c1[O-] ZINC000179670134 432066964 /nfs/dbraw/zinc/06/69/64/432066964.db2.gz PNPCLWKBGKMHLF-UHFFFAOYSA-N 0 3 308.853 3.414 20 10 DGCDHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)cc1 ZINC000134647682 432082923 /nfs/dbraw/zinc/08/29/23/432082923.db2.gz HHABNARSKCUGAF-XYJFISCASA-N 0 3 300.446 3.265 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCCc3sccc31)OCO2 ZINC000061360343 184168941 /nfs/dbraw/zinc/16/89/41/184168941.db2.gz RBNJPBOPEWNCPT-LBPRGKRZSA-N 0 3 303.383 3.350 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000272421165 130029459 /nfs/dbraw/zinc/02/94/59/130029459.db2.gz LZCQUHNYOGHGAQ-WSVYEEACSA-N 0 3 307.390 3.120 20 10 DGCDHN COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2)c1 ZINC000272831030 130067357 /nfs/dbraw/zinc/06/73/57/130067357.db2.gz HXJTUFCFCCSTLC-HUUCEWRRSA-N 0 3 312.413 3.330 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1[O-] ZINC000273391145 130115411 /nfs/dbraw/zinc/11/54/11/130115411.db2.gz KSHUKPZTAWYEMM-GFCCVEGCSA-N 0 3 316.376 3.084 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c([O-])c1C ZINC000273570616 130138686 /nfs/dbraw/zinc/13/86/86/130138686.db2.gz KNELLEVKZBJYNB-OAHLLOKOSA-N 0 3 322.412 3.441 20 10 DGCDHN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273617222 130145933 /nfs/dbraw/zinc/14/59/33/130145933.db2.gz XRINLYZMHAMTPS-KDOFPFPSSA-N 0 3 315.413 3.402 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1[O-] ZINC000282660312 130934238 /nfs/dbraw/zinc/93/42/38/130934238.db2.gz LVMWIVFKCQBXTJ-MRXNPFEDSA-N 0 3 305.418 3.230 20 10 DGCDHN COC(=O)Nc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000285533187 131178994 /nfs/dbraw/zinc/17/89/94/131178994.db2.gz PGGZAIBHSTUBAM-UHFFFAOYSA-N 0 3 312.369 3.090 20 10 DGCDHN Cc1cnn(C)c1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000286681020 131246658 /nfs/dbraw/zinc/24/66/58/131246658.db2.gz VOLRFASSOFCNQA-UHFFFAOYSA-N 0 3 312.461 3.255 20 10 DGCDHN C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000287136565 131265888 /nfs/dbraw/zinc/26/58/88/131265888.db2.gz RYJCBBNPAVCNFL-CXAGYDPISA-N 0 3 302.393 3.485 20 10 DGCDHN COc1cccc(CN[C@H](CCO)c2ccc(Cl)cc2)c1O ZINC000288481054 131327428 /nfs/dbraw/zinc/32/74/28/131327428.db2.gz PVMYIDQXRKTEER-OAHLLOKOSA-N 0 3 321.804 3.268 20 10 DGCDHN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)ccc1[O-] ZINC000289563849 131396579 /nfs/dbraw/zinc/39/65/79/131396579.db2.gz RYMRLTGNKVUHFO-UHFFFAOYSA-N 0 3 304.321 3.114 20 10 DGCDHN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)ccc1[O-] ZINC000289563849 131396581 /nfs/dbraw/zinc/39/65/81/131396581.db2.gz RYMRLTGNKVUHFO-UHFFFAOYSA-N 0 3 304.321 3.114 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000291027638 131537282 /nfs/dbraw/zinc/53/72/82/131537282.db2.gz IGTVAKHCFKHLHO-HNNXBMFYSA-N 0 3 314.404 3.456 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)c2ccccn2)c1 ZINC000294923851 131871140 /nfs/dbraw/zinc/87/11/40/131871140.db2.gz YYGPXVUEISZGMD-CYBMUJFWSA-N 0 3 300.402 3.424 20 10 DGCDHN COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297794789 132034793 /nfs/dbraw/zinc/03/47/93/132034793.db2.gz QBWDNFVCKAGABT-UKRRQHHQSA-N 0 3 313.397 3.445 20 10 DGCDHN CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297839329 132036728 /nfs/dbraw/zinc/03/67/28/132036728.db2.gz SGLWEJCCPOGJLF-QGZVFWFLSA-N 0 3 310.397 3.170 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([O-])c1 ZINC000092073227 400153479 /nfs/dbraw/zinc/15/34/79/400153479.db2.gz RTRUQOYYWKWMAO-HNNXBMFYSA-N 0 3 315.417 3.284 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c([O-])c1 ZINC000092073227 400153483 /nfs/dbraw/zinc/15/34/83/400153483.db2.gz RTRUQOYYWKWMAO-HNNXBMFYSA-N 0 3 315.417 3.284 20 10 DGCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093360736 400242875 /nfs/dbraw/zinc/24/28/75/400242875.db2.gz QZNOKCZCGOQHLR-QGZVFWFLSA-N 0 3 324.424 3.017 20 10 DGCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093360736 400242878 /nfs/dbraw/zinc/24/28/78/400242878.db2.gz QZNOKCZCGOQHLR-QGZVFWFLSA-N 0 3 324.424 3.017 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000270090841 432226813 /nfs/dbraw/zinc/22/68/13/432226813.db2.gz KRGGLWZNOGDDFQ-LRTDBIEQSA-N 0 3 303.427 3.289 20 10 DGCDHN Cc1ccc(O)c(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000270090841 432226819 /nfs/dbraw/zinc/22/68/19/432226819.db2.gz KRGGLWZNOGDDFQ-LRTDBIEQSA-N 0 3 303.427 3.289 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000179877822 228353309 /nfs/dbraw/zinc/35/33/09/228353309.db2.gz ZKLHYMDQEOGXBY-MAUKXSAKSA-N 0 3 324.424 3.234 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1cnccc1N(C)C ZINC000355120446 229303993 /nfs/dbraw/zinc/30/39/93/229303993.db2.gz JWGXWAVBHSZEMZ-UHFFFAOYSA-N 0 3 308.429 3.238 20 10 DGCDHN CC(=O)Nc1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297839324 275491056 /nfs/dbraw/zinc/49/10/56/275491056.db2.gz SGLWEJCCPOGJLF-KRWDZBQOSA-N 0 3 310.397 3.170 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000289814583 276379480 /nfs/dbraw/zinc/37/94/80/276379480.db2.gz SZPQCVHWADAXMK-ZBFHGGJFSA-N 0 3 307.434 3.306 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000289814583 276379482 /nfs/dbraw/zinc/37/94/82/276379482.db2.gz SZPQCVHWADAXMK-ZBFHGGJFSA-N 0 3 307.434 3.306 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1[O-] ZINC000074336707 431414451 /nfs/dbraw/zinc/41/44/51/431414451.db2.gz JUPFBGZHBVOXRR-AWEZNQCLSA-N 0 3 320.458 3.245 20 10 DGCDHN COCCOC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000116868540 431536331 /nfs/dbraw/zinc/53/63/31/431536331.db2.gz KZODRSCZOOJWFG-UHFFFAOYSA-N 0 3 315.413 3.173 20 10 DGCDHN CCCCOCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000119632874 431713333 /nfs/dbraw/zinc/71/33/33/431713333.db2.gz HXOIDFPEBHDZHM-HNNXBMFYSA-N 0 3 324.440 3.130 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@H](c2ccco2)N(C)C)c([O-])c1 ZINC000101589050 431986294 /nfs/dbraw/zinc/98/62/94/431986294.db2.gz BRBKBMYOEZNMRX-MRXNPFEDSA-N 0 3 318.417 3.167 20 10 DGCDHN C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccccc1[O-] ZINC000183371544 432286290 /nfs/dbraw/zinc/28/62/90/432286290.db2.gz PBGGBFNWVPBAJG-SUMWQHHRSA-N 0 3 302.393 3.485 20 10 DGCDHN C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000183544318 432302115 /nfs/dbraw/zinc/30/21/15/432302115.db2.gz IVKJKFJGOTXFMM-AWEZNQCLSA-N 0 3 302.393 3.314 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)CCc2ccncc2)c([O-])c1 ZINC000183760152 432324461 /nfs/dbraw/zinc/32/44/61/432324461.db2.gz QQEYZLCCJWXWCC-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)CCc2ccncc2)c([O-])c1 ZINC000183760152 432324464 /nfs/dbraw/zinc/32/44/64/432324464.db2.gz QQEYZLCCJWXWCC-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000248890277 432326782 /nfs/dbraw/zinc/32/67/82/432326782.db2.gz RYDHCBMZDNAAAC-FZMZJTMJSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000248890277 432326785 /nfs/dbraw/zinc/32/67/85/432326785.db2.gz RYDHCBMZDNAAAC-FZMZJTMJSA-N 0 3 311.809 3.055 20 10 DGCDHN CCCN(CC(=O)N1CCCC[C@@H]1C)Cc1ccccc1O ZINC000174371762 432341655 /nfs/dbraw/zinc/34/16/55/432341655.db2.gz FWGHMBSKRVDIAR-HNNXBMFYSA-N 0 3 304.434 3.005 20 10 DGCDHN C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1[O-] ZINC000183600770 432306305 /nfs/dbraw/zinc/30/63/05/432306305.db2.gz WYAGCESEUGNMKP-INIZCTEOSA-N 0 3 318.461 3.078 20 10 DGCDHN C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1[O-] ZINC000183600787 432306633 /nfs/dbraw/zinc/30/66/33/432306633.db2.gz WYAGCESEUGNMKP-MRXNPFEDSA-N 0 3 318.461 3.078 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)c1[O-] ZINC000271331572 432375797 /nfs/dbraw/zinc/37/57/97/432375797.db2.gz FQGDJBSWUDWAKD-SGTLLEGYSA-N 0 3 319.376 3.406 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271233938 432359085 /nfs/dbraw/zinc/35/90/85/432359085.db2.gz CWHZSMZKBOQJGL-QZTJIDSGSA-N 0 3 314.429 3.434 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OC)c(OC)c2)c1 ZINC000192915725 432428846 /nfs/dbraw/zinc/42/88/46/432428846.db2.gz GPVSWCFIUBZTAX-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)c1 ZINC000192915725 432428848 /nfs/dbraw/zinc/42/88/48/432428848.db2.gz GPVSWCFIUBZTAX-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1[O-] ZINC000271952679 432431553 /nfs/dbraw/zinc/43/15/53/432431553.db2.gz DUPLMPYMSGRTRC-CVEARBPZSA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@H](NCc1cccc(C(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000184926937 432446064 /nfs/dbraw/zinc/44/60/64/432446064.db2.gz BJMXNCPDEXLUIF-ZDUSSCGKSA-N 0 3 324.424 3.221 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000184997681 432453766 /nfs/dbraw/zinc/45/37/66/432453766.db2.gz VMYULVXJILNGIL-LSDHHAIUSA-N 0 3 314.473 3.406 20 10 DGCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272183382 432457399 /nfs/dbraw/zinc/45/73/99/432457399.db2.gz KNSVTZPQIHCRBO-QFBILLFUSA-N 0 3 310.441 3.392 20 10 DGCDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000271539106 432418761 /nfs/dbraw/zinc/41/87/61/432418761.db2.gz PFHBEBZOBYJCCA-FZKQIMNGSA-N 0 3 301.386 3.267 20 10 DGCDHN C[C@@H](NCCOc1ncccc1F)c1ccc(N(C)C)cc1 ZINC000271554740 432420864 /nfs/dbraw/zinc/42/08/64/432420864.db2.gz VMUHKGWXIOHKBN-CYBMUJFWSA-N 0 3 303.381 3.016 20 10 DGCDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1[N+](=O)[O-] ZINC000271639931 432422979 /nfs/dbraw/zinc/42/29/79/432422979.db2.gz GTOFQBHOGQBTNR-LLVKDONJSA-N 0 3 302.330 3.160 20 10 DGCDHN COc1cccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N(C)C)c1 ZINC000192865290 432423446 /nfs/dbraw/zinc/42/34/46/432423446.db2.gz WWAOJVLAYLKEOP-KSSFIOAISA-N 0 3 314.429 3.354 20 10 DGCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000271762247 432425430 /nfs/dbraw/zinc/42/54/30/432425430.db2.gz FBGZHDQLBDKXAC-HZPDHXFCSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000271762247 432425435 /nfs/dbraw/zinc/42/54/35/432425435.db2.gz FBGZHDQLBDKXAC-HZPDHXFCSA-N 0 3 301.386 3.382 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)c1 ZINC000271850131 432425904 /nfs/dbraw/zinc/42/59/04/432425904.db2.gz SWSOWQVVIZJRFY-KPZWWZAWSA-N 0 3 319.376 3.406 20 10 DGCDHN CN1CC=C(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271832661 432426106 /nfs/dbraw/zinc/42/61/06/432426106.db2.gz OZNRPGNZJCNWPF-UHFFFAOYSA-N 0 3 301.217 3.051 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1[O-] ZINC000193504275 432477447 /nfs/dbraw/zinc/47/74/47/432477447.db2.gz BQVGLWQCVIKKPR-OCCSQVGLSA-N 0 3 316.367 3.317 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193505549 432478140 /nfs/dbraw/zinc/47/81/40/432478140.db2.gz ABMCZOKPAXVSJV-STQMWFEESA-N 0 3 316.367 3.235 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464171 432502104 /nfs/dbraw/zinc/50/21/04/432502104.db2.gz BWUFORWYRUTNCC-GOEBONIOSA-N 0 3 324.424 3.436 20 10 DGCDHN COCCOCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153993970 432463499 /nfs/dbraw/zinc/46/34/99/432463499.db2.gz KNNCVRNZNMJFBI-OAHLLOKOSA-N 0 3 324.440 3.130 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c([O-])c1 ZINC000185091171 432465034 /nfs/dbraw/zinc/46/50/34/432465034.db2.gz UMPGZTZEARVSIM-CQSZACIVSA-N 0 3 304.434 3.190 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1 ZINC000185111651 432466400 /nfs/dbraw/zinc/46/64/00/432466400.db2.gz WYXBPQCHMJNTDD-QGZVFWFLSA-N 0 3 305.805 3.351 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](OC)c2ccccc2)c1 ZINC000185101891 432466625 /nfs/dbraw/zinc/46/66/25/432466625.db2.gz JBWVEXFXVSRCKB-SCLBCKFNSA-N 0 3 301.386 3.439 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000186107661 432558640 /nfs/dbraw/zinc/55/86/40/432558640.db2.gz MQOVWCAXOIGXKO-NSHDSACASA-N 0 3 322.792 3.179 20 10 DGCDHN CC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000155543934 432560627 /nfs/dbraw/zinc/56/06/27/432560627.db2.gz DBEKLPZKDJECBU-AWEZNQCLSA-N 0 3 316.367 3.460 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)c1 ZINC000186157627 432562857 /nfs/dbraw/zinc/56/28/57/432562857.db2.gz NYSYMQMYMJXKDU-QWRGUYRKSA-N 0 3 304.390 3.460 20 10 DGCDHN CCc1noc(CC)c1CN[C@H](C)c1cc(OC)ccc1O ZINC000185678532 432524624 /nfs/dbraw/zinc/52/46/24/432524624.db2.gz XIAVOULXFLWUTD-LLVKDONJSA-N 0 3 304.390 3.364 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000272805510 432534489 /nfs/dbraw/zinc/53/44/89/432534489.db2.gz BZUTUJHKETZXOI-UKRRQHHQSA-N 0 3 303.377 3.033 20 10 DGCDHN CCNC(=O)c1ccc(C[NH2+][C@H](CC)c2ccccc2[O-])cc1 ZINC000155162037 432542234 /nfs/dbraw/zinc/54/22/34/432542234.db2.gz VNSGPCXUXSCGFJ-QGZVFWFLSA-N 0 3 312.413 3.383 20 10 DGCDHN COc1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1O ZINC000155181690 432542377 /nfs/dbraw/zinc/54/23/77/432542377.db2.gz BAFKNCAAUMSJGW-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1[O-] ZINC000155181690 432542379 /nfs/dbraw/zinc/54/23/79/432542379.db2.gz BAFKNCAAUMSJGW-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1[O-] ZINC000155181690 432542383 /nfs/dbraw/zinc/54/23/83/432542383.db2.gz BAFKNCAAUMSJGW-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN CC(C)C[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273376985 432591763 /nfs/dbraw/zinc/59/17/63/432591763.db2.gz HJNCPAMRDOKUCU-CYBMUJFWSA-N 0 3 321.421 3.071 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCO2)c1[O-] ZINC000186919342 432637200 /nfs/dbraw/zinc/63/72/00/432637200.db2.gz NPAOWVWPSMTAEQ-CMPLNLGQSA-N 0 3 314.223 3.293 20 10 DGCDHN C[C@@H](NCCC(=O)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000178294599 432716151 /nfs/dbraw/zinc/71/61/51/432716151.db2.gz DAOGXFMBGLUEPH-MRXNPFEDSA-N 0 3 317.477 3.196 20 10 DGCDHN COCCC1(C[NH2+]Cc2cc(OC)ccc2[O-])CCCCC1 ZINC000187698275 432678633 /nfs/dbraw/zinc/67/86/33/432678633.db2.gz YWMIZGCBPORQFU-UHFFFAOYSA-N 0 3 307.434 3.477 20 10 DGCDHN Cc1cc([C@](C)(O)CNCc2ccc(N(C)C)c(F)c2)c(C)o1 ZINC000266166128 432751892 /nfs/dbraw/zinc/75/18/92/432751892.db2.gz PLQVDIMFIPMUHC-GOSISDBHSA-N 0 3 320.408 3.099 20 10 DGCDHN CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000276755545 432824726 /nfs/dbraw/zinc/82/47/26/432824726.db2.gz UEFCTVGLNZLURL-AWEZNQCLSA-N 0 3 312.413 3.016 20 10 DGCDHN C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000268408189 432869407 /nfs/dbraw/zinc/86/94/07/432869407.db2.gz GMIGBLMRJGAGBC-RCDICMHDSA-N 0 3 317.454 3.306 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)CC2 ZINC000296199996 432882849 /nfs/dbraw/zinc/88/28/49/432882849.db2.gz YWDVIJUBWJBULJ-JKSUJKDBSA-N 0 3 312.413 3.399 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(OC)CC2)c1[O-] ZINC000280107041 433002232 /nfs/dbraw/zinc/00/22/32/433002232.db2.gz AUJUIZOHOZSMRD-INIZCTEOSA-N 0 3 313.825 3.445 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(OC)CC2)c1[O-] ZINC000280107041 433002236 /nfs/dbraw/zinc/00/22/36/433002236.db2.gz AUJUIZOHOZSMRD-INIZCTEOSA-N 0 3 313.825 3.445 20 10 DGCDHN CC[C@@H](NCc1ccc(C)n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000279571895 432984359 /nfs/dbraw/zinc/98/43/59/432984359.db2.gz SYIQECJNBUOYJW-GOSISDBHSA-N 0 3 313.445 3.001 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1[O-] ZINC000280075816 433002530 /nfs/dbraw/zinc/00/25/30/433002530.db2.gz LKXARXHEJIOJJL-WBVHZDCISA-N 0 3 311.429 3.415 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(C)cc1[O-] ZINC000280113108 433001744 /nfs/dbraw/zinc/00/17/44/433001744.db2.gz NSKRAFFMCPHDML-GDBMZVCRSA-N 0 3 305.418 3.427 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)c(OC)n1 ZINC000290275066 433025164 /nfs/dbraw/zinc/02/51/64/433025164.db2.gz WOGQLSPHPMLFPJ-ZDUSSCGKSA-N 0 3 316.401 3.272 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)CCCn2ccnc2C)c1[O-] ZINC000290461510 433057552 /nfs/dbraw/zinc/05/75/52/433057552.db2.gz NBJUTVNSQKXDLS-UHFFFAOYSA-N 0 3 323.824 3.081 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCCn2ccnc2C)c1[O-] ZINC000290461510 433057558 /nfs/dbraw/zinc/05/75/58/433057558.db2.gz NBJUTVNSQKXDLS-UHFFFAOYSA-N 0 3 323.824 3.081 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000291060817 433219613 /nfs/dbraw/zinc/21/96/13/433219613.db2.gz PJTFVKLAVYWNPX-HNNXBMFYSA-N 0 3 314.404 3.456 20 10 DGCDHN C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1[O-] ZINC000281430264 433297049 /nfs/dbraw/zinc/29/70/49/433297049.db2.gz CCNYJEVXBZSCJH-LBPRGKRZSA-N 0 3 303.431 3.168 20 10 DGCDHN CN(C)C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000282953201 433643459 /nfs/dbraw/zinc/64/34/59/433643459.db2.gz XXKYCRRVSWLQLA-INIZCTEOSA-N 0 3 304.821 3.438 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000292856274 433603039 /nfs/dbraw/zinc/60/30/39/433603039.db2.gz UTHNVAJBLXTUGX-DIFFPNOSSA-N 0 3 319.426 3.254 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000293272384 433677789 /nfs/dbraw/zinc/67/77/89/433677789.db2.gz CLLOBTSVIWPFIG-KBPBESRZSA-N 0 3 300.377 3.461 20 10 DGCDHN CC(C)SCCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000283336767 433709070 /nfs/dbraw/zinc/70/90/70/433709070.db2.gz ANCDPKNZMSNECR-UHFFFAOYSA-N 0 3 308.491 3.097 20 10 DGCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293794856 433873022 /nfs/dbraw/zinc/87/30/22/433873022.db2.gz UPACSVFMBKLPKF-ZFWWWQNUSA-N 0 3 306.450 3.212 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c([O-])c1 ZINC000294063813 433983694 /nfs/dbraw/zinc/98/36/94/433983694.db2.gz HJFSPUIZASGMRZ-CYBMUJFWSA-N 0 3 317.458 3.205 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000305749317 434077624 /nfs/dbraw/zinc/07/76/24/434077624.db2.gz XCFDZIABRWAVPN-LJQANCHMSA-N 0 3 315.388 3.477 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000294604527 434123583 /nfs/dbraw/zinc/12/35/83/434123583.db2.gz DJCIYTIMCGPSBA-KBPBESRZSA-N 0 3 304.434 3.059 20 10 DGCDHN CCN(CC)c1ccc(CN2CC([C@@H]3CCOC3)C2)cc1F ZINC000366251478 434369590 /nfs/dbraw/zinc/36/95/90/434369590.db2.gz OZSVKRSIWTWOFY-OAHLLOKOSA-N 0 3 306.425 3.140 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN(Cc3ccccn3)CC1)CC2 ZINC000295925921 434445598 /nfs/dbraw/zinc/44/55/98/434445598.db2.gz JXXPINPJXLTBRL-SFHVURJKSA-N 0 3 323.440 3.029 20 10 DGCDHN O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000361067901 434785984 /nfs/dbraw/zinc/78/59/84/434785984.db2.gz OLJQGJJNVMGOPF-LJQANCHMSA-N 0 3 322.408 3.340 20 10 DGCDHN CO[C@@H](Cc1ccc(F)cc1)C[N@H+](C)Cc1ccccc1[O-] ZINC000528420338 435023193 /nfs/dbraw/zinc/02/31/93/435023193.db2.gz UQMNDRLJPVNTLF-KRWDZBQOSA-N 0 3 303.377 3.221 20 10 DGCDHN CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)Cc1ccccc1[O-] ZINC000528420338 435023195 /nfs/dbraw/zinc/02/31/95/435023195.db2.gz UQMNDRLJPVNTLF-KRWDZBQOSA-N 0 3 303.377 3.221 20 10 DGCDHN O=C(c1cccc2c1CCNC2)N1CCc2c1cccc2Cl ZINC000662606582 436367667 /nfs/dbraw/zinc/36/76/67/436367667.db2.gz SSTLVNRPSMECSX-UHFFFAOYSA-N 0 3 312.800 3.189 20 10 DGCDHN O=C(c1cccc2c1CCNC2)N(CC1CC1)c1ccccc1 ZINC000662639699 436373182 /nfs/dbraw/zinc/37/31/82/436373182.db2.gz KUCGRHKWRHGMFW-UHFFFAOYSA-N 0 3 306.409 3.389 20 10 DGCDHN C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000185705011 333212457 /nfs/dbraw/zinc/21/24/57/333212457.db2.gz JEKUMYOJWRXXTJ-PBHICJAKSA-N 0 3 319.445 3.117 20 10 DGCDHN COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2[O-])c(C)c1OC ZINC000286244092 334152154 /nfs/dbraw/zinc/15/21/54/334152154.db2.gz UBPTZHZYRHTVHE-ZDUSSCGKSA-N 0 3 315.413 3.439 20 10 DGCDHN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000289846532 334168681 /nfs/dbraw/zinc/16/86/81/334168681.db2.gz QEWVNDGLWGECRD-BOFPYLFWSA-N 0 3 315.388 3.348 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@@H](O)c2ccsc2)cc1 ZINC000219097365 340501730 /nfs/dbraw/zinc/50/17/30/340501730.db2.gz OMDPNIVYYQKMSQ-QGZVFWFLSA-N 0 3 304.459 3.418 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCCC(=O)N2CCCCC2)cc1 ZINC000163500493 520284550 /nfs/dbraw/zinc/28/45/50/520284550.db2.gz LCQDSSXMJNJOGJ-MRXNPFEDSA-N 0 3 317.477 3.196 20 10 DGCDHN CC[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000127400891 522599106 /nfs/dbraw/zinc/59/91/06/522599106.db2.gz WYXOKQBWMSBMQO-KKSFZXQISA-N 0 3 310.507 3.341 20 10 DGCDHN COc1ccc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)cc1C ZINC000267168871 524088712 /nfs/dbraw/zinc/08/87/12/524088712.db2.gz HLMTUDGOTNCWJF-FZKQIMNGSA-N 0 3 303.377 3.354 20 10 DGCDHN Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000189092527 524474156 /nfs/dbraw/zinc/47/41/56/524474156.db2.gz SLRHPKGNINZSNN-QAPCUYQASA-N 0 3 324.424 3.152 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180717849 524741302 /nfs/dbraw/zinc/74/13/02/524741302.db2.gz RWRJCFTWODZKIQ-PBHICJAKSA-N 0 3 317.385 3.082 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180717849 524741309 /nfs/dbraw/zinc/74/13/09/524741309.db2.gz RWRJCFTWODZKIQ-PBHICJAKSA-N 0 3 317.385 3.082 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136375 524766614 /nfs/dbraw/zinc/76/66/14/524766614.db2.gz OYHOBVWRQLINDC-IIYDPXPESA-N 0 3 323.458 3.106 20 10 DGCDHN Cc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000179875702 524977237 /nfs/dbraw/zinc/97/72/37/524977237.db2.gz UMNDPUDODBTSCB-PBHICJAKSA-N 0 3 310.397 3.157 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cc1C ZINC000267251116 525322805 /nfs/dbraw/zinc/32/28/05/525322805.db2.gz ZLEKLLVGRZDITA-ACJLOTCBSA-N 0 3 303.377 3.360 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000184953887 525364454 /nfs/dbraw/zinc/36/44/54/525364454.db2.gz WBXWTICQGXFWJV-HNNXBMFYSA-N 0 3 322.412 3.191 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000160548464 525445496 /nfs/dbraw/zinc/44/54/96/525445496.db2.gz XGINOKLIHLBKJL-RCDICMHDSA-N 0 3 316.470 3.341 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000180152903 527550412 /nfs/dbraw/zinc/55/04/12/527550412.db2.gz YHSPSLBFKJFNOI-KRWDZBQOSA-N 0 3 301.361 3.013 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000180152903 527550414 /nfs/dbraw/zinc/55/04/14/527550414.db2.gz YHSPSLBFKJFNOI-KRWDZBQOSA-N 0 3 301.361 3.013 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])[C@]12CCCO2 ZINC000285394042 535513157 /nfs/dbraw/zinc/51/31/57/535513157.db2.gz WVUFQYIHZVLISX-ITQYTPKQSA-N 0 3 319.445 3.386 20 10 DGCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC1CCCC1 ZINC000731848333 574560379 /nfs/dbraw/zinc/56/03/79/574560379.db2.gz WOPKGOIWRSPDAN-UHFFFAOYSA-N 0 3 316.445 3.196 20 10 DGCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC1CCCC1 ZINC000731848333 574560380 /nfs/dbraw/zinc/56/03/80/574560380.db2.gz WOPKGOIWRSPDAN-UHFFFAOYSA-N 0 3 316.445 3.196 20 10 DGCDHN COc1cccc(CN[C@H]2CCOc3c(OC)cccc32)c1O ZINC000733331616 574617068 /nfs/dbraw/zinc/61/70/68/574617068.db2.gz FDCNJYZKAWBNLI-AWEZNQCLSA-N 0 3 315.369 3.023 20 10 DGCDHN CCCC[N@H+](C)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000735519512 574706099 /nfs/dbraw/zinc/70/60/99/574706099.db2.gz ASANVYWWIKSLDD-UHFFFAOYSA-N 0 3 310.463 3.038 20 10 DGCDHN CCCC[N@@H+](C)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000735519512 574706101 /nfs/dbraw/zinc/70/61/01/574706101.db2.gz ASANVYWWIKSLDD-UHFFFAOYSA-N 0 3 310.463 3.038 20 10 DGCDHN Cn1cc(C(C)(C)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000742373763 574993687 /nfs/dbraw/zinc/99/36/87/574993687.db2.gz ITFQIVRBCDNDML-UHFFFAOYSA-N 0 3 312.461 3.435 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000729681964 575260342 /nfs/dbraw/zinc/26/03/42/575260342.db2.gz PJSAIXDMOVJPPK-SFHVURJKSA-N 0 3 308.425 3.386 20 10 DGCDHN CCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000729682311 575260641 /nfs/dbraw/zinc/26/06/41/575260641.db2.gz NEWSRRUSQOPRIL-UHFFFAOYSA-N 0 3 316.357 3.031 20 10 DGCDHN COC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000751945628 575813613 /nfs/dbraw/zinc/81/36/13/575813613.db2.gz ALKJDXKTOOCDIX-CQSZACIVSA-N 0 3 301.386 3.165 20 10 DGCDHN COC[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000751945628 575813614 /nfs/dbraw/zinc/81/36/14/575813614.db2.gz ALKJDXKTOOCDIX-CQSZACIVSA-N 0 3 301.386 3.165 20 10 DGCDHN CS[C@H](C)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000752099414 575823473 /nfs/dbraw/zinc/82/34/73/575823473.db2.gz IBKPAHLKHSIKIA-CYBMUJFWSA-N 0 3 323.462 3.426 20 10 DGCDHN CN(C)c1ccc(CN2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000852648767 620637173 /nfs/dbraw/zinc/63/71/73/620637173.db2.gz DIZHPHMSVQWMPV-UHFFFAOYSA-N 0 3 300.446 3.144 20 10 DGCDHN CCOc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1 ZINC000852844953 620652102 /nfs/dbraw/zinc/65/21/02/620652102.db2.gz OYGPIUJCEKKFMV-UHFFFAOYSA-N 0 3 310.397 3.008 20 10 DGCDHN CC[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000154994313 620752904 /nfs/dbraw/zinc/75/29/04/620752904.db2.gz XLIZSLNSCVYUTC-IBGZPJMESA-N 0 3 310.441 3.491 20 10 DGCDHN COc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)c(O)c1OC ZINC000891404785 617793400 /nfs/dbraw/zinc/79/34/00/617793400.db2.gz OAKKMWHOTTZMHQ-CQSZACIVSA-N 0 3 302.374 3.075 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc(F)cc2)c(O)c1OC ZINC000891482074 617813489 /nfs/dbraw/zinc/81/34/89/617813489.db2.gz SDJWAUNEGABQKU-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN COc1ccc(CN2Cc3ccccc3C[C@H]2C)c(O)c1OC ZINC000892112117 617964616 /nfs/dbraw/zinc/96/46/16/617964616.db2.gz PNNBPNIMHDIHMG-CYBMUJFWSA-N 0 3 313.397 3.356 20 10 DGCDHN COc1ccccc1[C@H](C)NCc1ccc(OC)c(OC)c1O ZINC000892410654 618059723 /nfs/dbraw/zinc/05/97/23/618059723.db2.gz SSCMDLQUICMCPO-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN COc1ccc(CNC2(c3cccc(F)c3)CC2)c(O)c1OC ZINC000892988594 618379929 /nfs/dbraw/zinc/37/99/29/618379929.db2.gz IUSCCDSIVKGEHQ-UHFFFAOYSA-N 0 3 317.360 3.327 20 10 DGCDHN CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CN1CCCC1 ZINC000792195113 618434227 /nfs/dbraw/zinc/43/42/27/618434227.db2.gz CNWRVMYBRLWICK-UHFFFAOYSA-N 0 3 314.832 3.396 20 10 DGCDHN CC(C)(C)c1ccncc1CNCc1cc2c(cc1O)OCO2 ZINC000840958031 618634457 /nfs/dbraw/zinc/63/44/57/618634457.db2.gz HRCMAYGPQGVTMR-UHFFFAOYSA-N 0 3 314.385 3.103 20 10 DGCDHN COc1ccc(OC)c(CNCc2cc(C)cc(OC)c2O)c1 ZINC000894163424 618722212 /nfs/dbraw/zinc/72/22/12/618722212.db2.gz WBNSHYXHLCEHFU-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[O-])[nH]c1C(C)C ZINC000895459428 618786925 /nfs/dbraw/zinc/78/69/25/618786925.db2.gz BYNZNTZVOJFDRO-GFCCVEGCSA-N 0 3 316.401 3.481 20 10 DGCDHN COc1ccc(C[N@H+](CCC2CC2)CC2CC2)c([O-])c1OC ZINC000895460270 618787012 /nfs/dbraw/zinc/78/70/12/618787012.db2.gz GMJABHQDRHAZQD-UHFFFAOYSA-N 0 3 305.418 3.422 20 10 DGCDHN COc1ccc(C[N@@H+](CCC2CC2)CC2CC2)c([O-])c1OC ZINC000895460270 618787013 /nfs/dbraw/zinc/78/70/13/618787013.db2.gz GMJABHQDRHAZQD-UHFFFAOYSA-N 0 3 305.418 3.422 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCC3)O2)c1[O-] ZINC000895677181 618814986 /nfs/dbraw/zinc/81/49/86/618814986.db2.gz KCDLFBFOFDTSCQ-CYBMUJFWSA-N 0 3 311.809 3.246 20 10 DGCDHN Cc1cc([O-])c(CN2CCC(C)([NH+]3CCC3)CC2)cc1Cl ZINC000895670252 618815781 /nfs/dbraw/zinc/81/57/81/618815781.db2.gz DIXMZYIHZUCNEL-UHFFFAOYSA-N 0 3 308.853 3.414 20 10 DGCDHN Cc1cc([O-])c(CN2CCC(C)([NH+]3CCC3)CC2)c(Cl)c1 ZINC000895670318 618815809 /nfs/dbraw/zinc/81/58/09/618815809.db2.gz DRIZCKRMVFULDJ-UHFFFAOYSA-N 0 3 308.853 3.414 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895843814 618838552 /nfs/dbraw/zinc/83/85/52/618838552.db2.gz CRULTQHQPLETIY-FZMZJTMJSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895843814 618838554 /nfs/dbraw/zinc/83/85/54/618838554.db2.gz CRULTQHQPLETIY-FZMZJTMJSA-N 0 3 311.809 3.055 20 10 DGCDHN CN(C)c1ccc(CN2CCC(O)(C3CCC3)CC2)cc1F ZINC000897035784 619004637 /nfs/dbraw/zinc/00/46/37/619004637.db2.gz VLKYPYSTQHVDRY-UHFFFAOYSA-N 0 3 306.425 3.019 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CCC(O)(C3CCC3)CC2)cc1 ZINC000897035221 619004785 /nfs/dbraw/zinc/00/47/85/619004785.db2.gz DGJCSXIRZRLKCE-SNAWJCMRSA-N 0 3 314.473 3.393 20 10 DGCDHN Cc1csc(C[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000897299162 619048416 /nfs/dbraw/zinc/04/84/16/619048416.db2.gz WCALSOAOHDQTDQ-GFCCVEGCSA-N 0 3 306.406 3.361 20 10 DGCDHN Cc1csc(C[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000897299162 619048419 /nfs/dbraw/zinc/04/84/19/619048419.db2.gz WCALSOAOHDQTDQ-GFCCVEGCSA-N 0 3 306.406 3.361 20 10 DGCDHN COc1ccc(N2CCN(C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC000929152867 619226460 /nfs/dbraw/zinc/22/64/60/619226460.db2.gz HGGUPNBNIBKTRA-AYGBPOKTSA-N 0 3 322.399 3.109 20 10 DGCDHN CC[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccccc1[O-] ZINC000926966215 619254135 /nfs/dbraw/zinc/25/41/35/619254135.db2.gz ZFLKBVJPDDOCPS-GXTWGEPZSA-N 0 3 304.356 3.316 20 10 DGCDHN COc1cccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000898516210 619283087 /nfs/dbraw/zinc/28/30/87/619283087.db2.gz NZAZILZDBKMSMR-HOCLYGCPSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000898516210 619283088 /nfs/dbraw/zinc/28/30/88/619283088.db2.gz NZAZILZDBKMSMR-HOCLYGCPSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]Cc2cc(C)cc(N)c2)c1[O-] ZINC000841071917 619474566 /nfs/dbraw/zinc/47/45/66/619474566.db2.gz VKFXIRIXGJFOSA-UHFFFAOYSA-N 0 3 306.793 3.235 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902478410 619638816 /nfs/dbraw/zinc/63/88/16/619638816.db2.gz WMMMXWPBOXYUQX-VZJNWSLWSA-N 0 3 301.217 3.243 20 10 DGCDHN CC(C)O[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCOC1 ZINC000903357236 619764761 /nfs/dbraw/zinc/76/47/61/619764761.db2.gz LJLUCJYYOZYPSL-WRSAYESZSA-N 0 3 323.408 3.253 20 10 DGCDHN C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1 ZINC000903447735 619778053 /nfs/dbraw/zinc/77/80/53/619778053.db2.gz BUDQXFCOXAWCEH-CJNGLKHVSA-N 0 3 318.490 3.163 20 10 DGCDHN Cc1nc([C@@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000905684889 620018850 /nfs/dbraw/zinc/01/88/50/620018850.db2.gz GHBRASPUYNLVNY-CQSZACIVSA-N 0 3 309.369 3.226 20 10 DGCDHN Cc1nc([C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000905684889 620018852 /nfs/dbraw/zinc/01/88/52/620018852.db2.gz GHBRASPUYNLVNY-CQSZACIVSA-N 0 3 309.369 3.226 20 10 DGCDHN Oc1cc2c(cc1CNC1(c3cccc(F)c3)CC1)OCO2 ZINC000152868772 620526547 /nfs/dbraw/zinc/52/65/47/620526547.db2.gz GBONHQPIKNBGQW-UHFFFAOYSA-N 0 3 301.317 3.039 20 10 DGCDHN C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1[O-] ZINC000154037320 620633634 /nfs/dbraw/zinc/63/36/34/620633634.db2.gz UHEWHIVUINEKDD-HNNXBMFYSA-N 0 3 307.397 3.488 20 10 DGCDHN c1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)nc1 ZINC000922585704 621062127 /nfs/dbraw/zinc/06/21/27/621062127.db2.gz NTRDAIWANAYFKS-FQEVSTJZSA-N 0 3 323.440 3.159 20 10 DGCDHN C[NH+](C)CC[C@H](NCc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000922629862 621070066 /nfs/dbraw/zinc/07/00/66/621070066.db2.gz AEGZPQGIJBNKKZ-INIZCTEOSA-N 0 3 319.836 3.223 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c([O-])c1 ZINC000922896304 621127620 /nfs/dbraw/zinc/12/76/20/621127620.db2.gz IKXBSZWHKWRAPY-YJBOKZPZSA-N 0 3 305.418 3.086 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000922951453 621136422 /nfs/dbraw/zinc/13/64/22/621136422.db2.gz OIFNSUFRMQRTOE-AWEZNQCLSA-N 0 3 307.434 3.474 20 10 DGCDHN CCOC(=O)C1=CC[C@H]([NH2+][C@H](CC)c2ccc(C)cc2[O-])C1 ZINC000858508727 621200156 /nfs/dbraw/zinc/20/01/56/621200156.db2.gz OPDLDEJURATYJE-GOEBONIOSA-N 0 3 303.402 3.393 20 10 DGCDHN CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000858583994 621207368 /nfs/dbraw/zinc/20/73/68/621207368.db2.gz KDWALLYVNWSBTA-YUSALJHKSA-N 0 3 314.223 3.291 20 10 DGCDHN CCn1nncc1CN(Cc1ccccc1O)C1CCCCC1 ZINC000838846685 621289809 /nfs/dbraw/zinc/28/98/09/621289809.db2.gz YRMFKINFDGOSKH-UHFFFAOYSA-N 0 3 314.433 3.339 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c1[O-] ZINC000839182841 621343890 /nfs/dbraw/zinc/34/38/90/621343890.db2.gz QILNZRSRYKPBPO-UONOGXRCSA-N 0 3 311.809 3.101 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)c([O-])c1 ZINC000839191820 621346720 /nfs/dbraw/zinc/34/67/20/621346720.db2.gz KCINWTXROVEREV-HOTGVXAUSA-N 0 3 307.434 3.473 20 10 DGCDHN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C2 ZINC000753576344 621450542 /nfs/dbraw/zinc/45/05/42/621450542.db2.gz RAMRIYBAGWHFOD-MRXNPFEDSA-N 0 3 301.361 3.187 20 10 DGCDHN C[C@H](NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000753728564 621462062 /nfs/dbraw/zinc/46/20/62/621462062.db2.gz AICXTCJNYFNMNH-LBPRGKRZSA-N 0 3 310.401 3.185 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@@H]3COCC[C@@H]32)cc1F ZINC000862252419 621568116 /nfs/dbraw/zinc/56/81/16/621568116.db2.gz TWJVLSKDOZJSIH-WBMJQRKESA-N 0 3 310.388 3.032 20 10 DGCDHN COc1cccc(CNCc2ccc(F)c(F)c2N(C)C)c1O ZINC000862366202 621579475 /nfs/dbraw/zinc/57/94/75/621579475.db2.gz DEMXYRNVEUXSPU-UHFFFAOYSA-N 0 3 322.355 3.035 20 10 DGCDHN CN1C[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])CCC1=O ZINC000862428438 621588622 /nfs/dbraw/zinc/58/86/22/621588622.db2.gz QGHFIPAJGMOBKB-SFHVURJKSA-N 0 3 324.424 3.112 20 10 DGCDHN CN1C[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])CCC1=O ZINC000862428438 621588625 /nfs/dbraw/zinc/58/86/25/621588625.db2.gz QGHFIPAJGMOBKB-SFHVURJKSA-N 0 3 324.424 3.112 20 10 DGCDHN O=C1C[C@@]2(CCCN(Cc3ccccc3O)C2)Oc2ccccc21 ZINC000862481501 621593397 /nfs/dbraw/zinc/59/33/97/621593397.db2.gz IDQQZNLTUOBIQQ-HXUWFJFHSA-N 0 3 323.392 3.392 20 10 DGCDHN O=C1C[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)Oc2ccccc21 ZINC000862481501 621593399 /nfs/dbraw/zinc/59/33/99/621593399.db2.gz IDQQZNLTUOBIQQ-HXUWFJFHSA-N 0 3 323.392 3.392 20 10 DGCDHN O=C1C[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)Oc2ccccc21 ZINC000862481501 621593401 /nfs/dbraw/zinc/59/34/01/621593401.db2.gz IDQQZNLTUOBIQQ-HXUWFJFHSA-N 0 3 323.392 3.392 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485138 621594933 /nfs/dbraw/zinc/59/49/33/621594933.db2.gz HSBDAWPSZCKOBZ-DOMZBBRYSA-N 0 3 323.408 3.331 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485138 621594935 /nfs/dbraw/zinc/59/49/35/621594935.db2.gz HSBDAWPSZCKOBZ-DOMZBBRYSA-N 0 3 323.408 3.331 20 10 DGCDHN C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363660 621631409 /nfs/dbraw/zinc/63/14/09/621631409.db2.gz QCZQDTLRLTUVAM-KBPBESRZSA-N 0 3 321.421 3.216 20 10 DGCDHN CC(C)[NH+](CCN[C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756369617 621632241 /nfs/dbraw/zinc/63/22/41/621632241.db2.gz CRZZVZMKGRFYBL-GFCCVEGCSA-N 0 3 300.393 3.440 20 10 DGCDHN COc1cccc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1OC ZINC000756420079 621637350 /nfs/dbraw/zinc/63/73/50/621637350.db2.gz BCSGGKRIQABORG-LBPRGKRZSA-N 0 3 319.376 3.442 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CO)c2c1c(F)ccc2[O-] ZINC000756459502 621639973 /nfs/dbraw/zinc/63/99/73/621639973.db2.gz ORKDJHMXMWKENR-ABAIWWIYSA-N 0 3 301.361 3.362 20 10 DGCDHN CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756546346 621646403 /nfs/dbraw/zinc/64/64/03/621646403.db2.gz OWFDCATVSIKMCA-QWHCGFSZSA-N 0 3 312.404 3.441 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c2c1c(F)ccc2[O-] ZINC000756644443 621655795 /nfs/dbraw/zinc/65/57/95/621655795.db2.gz AGGLJAWMJFRHEW-PKIAMQTDSA-N 0 3 304.409 3.152 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c([O-])c1 ZINC000756661232 621657058 /nfs/dbraw/zinc/65/70/58/621657058.db2.gz ZHISBLNFKOWEHD-ZBFHGGJFSA-N 0 3 316.445 3.142 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c([O-])c1 ZINC000756661226 621657255 /nfs/dbraw/zinc/65/72/55/621657255.db2.gz ZHISBLNFKOWEHD-HOCLYGCPSA-N 0 3 316.445 3.142 20 10 DGCDHN Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)[nH]n1 ZINC000756764333 621662887 /nfs/dbraw/zinc/66/28/87/621662887.db2.gz GGSHYFICUVYOAF-PKFCDNJMSA-N 0 3 303.381 3.332 20 10 DGCDHN Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)n[nH]1 ZINC000756764333 621662889 /nfs/dbraw/zinc/66/28/89/621662889.db2.gz GGSHYFICUVYOAF-PKFCDNJMSA-N 0 3 303.381 3.332 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)n2)c2c1c(F)ccc2[O-] ZINC000756770275 621663256 /nfs/dbraw/zinc/66/32/56/621663256.db2.gz VTVSXOOMLYOEDW-RISCZKNCSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@@H]1C[C@H](NCc2cccc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756770275 621663258 /nfs/dbraw/zinc/66/32/58/621663258.db2.gz VTVSXOOMLYOEDW-RISCZKNCSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)c2c1c(F)ccc2[O-] ZINC000756788876 621664808 /nfs/dbraw/zinc/66/48/08/621664808.db2.gz FVWAVODJYRPWPN-BLLLJJGKSA-N 0 3 315.388 3.404 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000863548551 621682835 /nfs/dbraw/zinc/68/28/35/621682835.db2.gz ZVTBRCOWNHWGRE-BBBLOLIVSA-N 0 3 303.233 3.490 20 10 DGCDHN C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000863548551 621682837 /nfs/dbraw/zinc/68/28/37/621682837.db2.gz ZVTBRCOWNHWGRE-BBBLOLIVSA-N 0 3 303.233 3.490 20 10 DGCDHN [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC[C@@H]1C(F)(F)F ZINC000863646019 621693215 /nfs/dbraw/zinc/69/32/15/621693215.db2.gz FTUBLRIYCZKJLP-PWSUYJOCSA-N 0 3 322.758 3.005 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)c([O-])c1 ZINC000757801866 621740766 /nfs/dbraw/zinc/74/07/66/621740766.db2.gz YBUKBGBATNJDPH-YJBOKZPZSA-N 0 3 321.417 3.002 20 10 DGCDHN Cc1cc(O)c(CNCc2ccc(Br)cn2)cc1C ZINC000865811866 622000038 /nfs/dbraw/zinc/00/00/38/622000038.db2.gz YTCFPRFBVFOXSZ-UHFFFAOYSA-N 0 3 321.218 3.456 20 10 DGCDHN COc1cc(CN[C@@H](C)c2ccnn2C)c(O)c(C(C)(C)C)c1 ZINC000865837513 622004544 /nfs/dbraw/zinc/00/45/44/622004544.db2.gz HIFZWJQYZRVINS-LBPRGKRZSA-N 0 3 317.433 3.283 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000764980131 622237349 /nfs/dbraw/zinc/23/73/49/622237349.db2.gz QFYOCTBJUIJKAU-QGZVFWFLSA-N 0 3 321.804 3.052 20 10 DGCDHN CCn1nc(C)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000765658677 622280427 /nfs/dbraw/zinc/28/04/27/622280427.db2.gz IXBPONCOMXBHGY-CYBMUJFWSA-N 0 3 300.450 3.437 20 10 DGCDHN CC1CC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000768226000 622445878 /nfs/dbraw/zinc/44/58/78/622445878.db2.gz XPTBWPYWRIPDLK-DSSZZKGTSA-N 0 3 308.853 3.398 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccc1)[C@H](O)CO2 ZINC000768441434 622456471 /nfs/dbraw/zinc/45/64/71/622456471.db2.gz LNUKAKRRNSFNSB-SJLPKXTDSA-N 0 3 311.381 3.155 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1)[C@H](O)CO2 ZINC000768441434 622456474 /nfs/dbraw/zinc/45/64/74/622456474.db2.gz LNUKAKRRNSFNSB-SJLPKXTDSA-N 0 3 311.381 3.155 20 10 DGCDHN CC(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768446239 622456846 /nfs/dbraw/zinc/45/68/46/622456846.db2.gz LROPACMFOGHOBO-WMLDXEAASA-N 0 3 319.445 3.466 20 10 DGCDHN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768446239 622456848 /nfs/dbraw/zinc/45/68/48/622456848.db2.gz LROPACMFOGHOBO-WMLDXEAASA-N 0 3 319.445 3.466 20 10 DGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(C3CCCC3)CC1)[C@H](O)CO2 ZINC000768466692 622458759 /nfs/dbraw/zinc/45/87/59/622458759.db2.gz UUQYZIKDJNUJIV-GOSISDBHSA-N 0 3 317.429 3.220 20 10 DGCDHN CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000770353766 622623813 /nfs/dbraw/zinc/62/38/13/622623813.db2.gz ULPQTLAUAJYDLQ-HOTGVXAUSA-N 0 3 307.434 3.426 20 10 DGCDHN CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000770353766 622623815 /nfs/dbraw/zinc/62/38/15/622623815.db2.gz ULPQTLAUAJYDLQ-HOTGVXAUSA-N 0 3 307.434 3.426 20 10 DGCDHN CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000770353767 622623896 /nfs/dbraw/zinc/62/38/96/622623896.db2.gz ULPQTLAUAJYDLQ-HZPDHXFCSA-N 0 3 307.434 3.426 20 10 DGCDHN CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000770353767 622623900 /nfs/dbraw/zinc/62/39/00/622623900.db2.gz ULPQTLAUAJYDLQ-HZPDHXFCSA-N 0 3 307.434 3.426 20 10 DGCDHN CCO[C@H]1C[C@H]([N@H+](C)Cc2c([O-])cccc2OC)C12CCC2 ZINC000770351756 622624298 /nfs/dbraw/zinc/62/42/98/622624298.db2.gz KQPQYVYPOSCQHC-IRXDYDNUSA-N 0 3 305.418 3.180 20 10 DGCDHN CCO[C@H]1C[C@H]([N@@H+](C)Cc2c([O-])cccc2OC)C12CCC2 ZINC000770351756 622624301 /nfs/dbraw/zinc/62/43/01/622624301.db2.gz KQPQYVYPOSCQHC-IRXDYDNUSA-N 0 3 305.418 3.180 20 10 DGCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2c([O-])cccc2OC)C12CCC2 ZINC000770351752 622624354 /nfs/dbraw/zinc/62/43/54/622624354.db2.gz KQPQYVYPOSCQHC-DLBZAZTESA-N 0 3 305.418 3.180 20 10 DGCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c([O-])cccc2OC)C12CCC2 ZINC000770351752 622624357 /nfs/dbraw/zinc/62/43/57/622624357.db2.gz KQPQYVYPOSCQHC-DLBZAZTESA-N 0 3 305.418 3.180 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCc3cnccn3)c2c1 ZINC000770662726 622657709 /nfs/dbraw/zinc/65/77/09/622657709.db2.gz XQFHOHFKWHDEAH-UHFFFAOYSA-N 0 3 323.396 3.019 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCc3cnccn3)c2c1 ZINC000770662726 622657712 /nfs/dbraw/zinc/65/77/12/622657712.db2.gz XQFHOHFKWHDEAH-UHFFFAOYSA-N 0 3 323.396 3.019 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)CC2 ZINC000872110492 622812777 /nfs/dbraw/zinc/81/27/77/622812777.db2.gz JMEBOEOUFUXTEA-VIFPVBQESA-N 0 3 311.250 3.141 20 10 DGCDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc2c(c1)CCO2 ZINC000873036728 623023416 /nfs/dbraw/zinc/02/34/16/623023416.db2.gz YLDCHXZREUIYRZ-UHFFFAOYSA-N 0 3 312.369 3.436 20 10 DGCDHN CCCOc1ccc(CNCc2ccc(C)n(C)c2=O)cc1C ZINC000873115985 623039821 /nfs/dbraw/zinc/03/98/21/623039821.db2.gz XZPRTQKGPQVQLT-UHFFFAOYSA-N 0 3 314.429 3.081 20 10 DGCDHN COc1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1Cn1cccn1 ZINC000873149314 623050045 /nfs/dbraw/zinc/05/00/45/623050045.db2.gz CATQGESRXOCBGP-DLBZAZTESA-N 0 3 317.408 3.310 20 10 DGCDHN CC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccccc1[O-] ZINC000775504319 623281816 /nfs/dbraw/zinc/28/18/16/623281816.db2.gz XKDWXNWWDHYGRK-SJLPKXTDSA-N 0 3 318.461 3.076 20 10 DGCDHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000775579835 623292890 /nfs/dbraw/zinc/29/28/90/623292890.db2.gz PQSUIANVDXXLES-KKUMJFAQSA-N 0 3 320.433 3.218 20 10 DGCDHN Cc1cccc(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000775709590 623316944 /nfs/dbraw/zinc/31/69/44/623316944.db2.gz VBFRRGMQPQGXQD-SFHVURJKSA-N 0 3 324.424 3.328 20 10 DGCDHN CC(C)C[C@@H](C)N(C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837448 623339547 /nfs/dbraw/zinc/33/95/47/623339547.db2.gz SRCBKJJVHOJDGK-CVEARBPZSA-N 0 3 319.493 3.296 20 10 DGCDHN CCC1(CC)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000776771656 623461201 /nfs/dbraw/zinc/46/12/01/623461201.db2.gz LPHLURXJYXLNTM-MRXNPFEDSA-N 0 3 305.418 3.220 20 10 DGCDHN CC[C@@H](NC[C@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000777012294 623485650 /nfs/dbraw/zinc/48/56/50/623485650.db2.gz PCYBNDGKFMKGFQ-KGLIPLIRSA-N 0 3 304.356 3.371 20 10 DGCDHN COc1cc2c(cc1OC)CN(Cc1c(C)cccc1O)CC2 ZINC000876531981 623635410 /nfs/dbraw/zinc/63/54/10/623635410.db2.gz WHOZYZBPTHQXIA-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN CCCCCNC(=O)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876577907 623649496 /nfs/dbraw/zinc/64/94/96/623649496.db2.gz UJYBZJDWCDNYJY-UHFFFAOYSA-N 0 3 318.461 3.219 20 10 DGCDHN C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000779035399 623723993 /nfs/dbraw/zinc/72/39/93/623723993.db2.gz ZJAZMWONOHSJQV-SGTLLEGYSA-N 0 3 301.361 3.355 20 10 DGCDHN C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000779035399 623724001 /nfs/dbraw/zinc/72/40/01/623724001.db2.gz ZJAZMWONOHSJQV-SGTLLEGYSA-N 0 3 301.361 3.355 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)CO)c1[O-] ZINC000779039954 623724240 /nfs/dbraw/zinc/72/42/40/623724240.db2.gz TWMSXTGUFPAKMX-SNVBAGLBSA-N 0 3 316.239 3.132 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)c1[O-] ZINC000779050363 623724509 /nfs/dbraw/zinc/72/45/09/623724509.db2.gz OUNVRXJUIJPOGJ-DCAQKATOSA-N 0 3 316.239 3.273 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c([O-])c1 ZINC000876883814 623735448 /nfs/dbraw/zinc/73/54/48/623735448.db2.gz BZSCHRRDYAGAMD-KRWDZBQOSA-N 0 3 302.393 3.232 20 10 DGCDHN CCCNC(=O)C1(NCc2ccc(OC)c(C)c2)CCCCC1 ZINC000779169725 623738578 /nfs/dbraw/zinc/73/85/78/623738578.db2.gz RZFJRDLBOQZSFV-UHFFFAOYSA-N 0 3 318.461 3.322 20 10 DGCDHN COc1cc2c(cc1CNCc1ccc(C)cc1O)O[C@@H](C)C2 ZINC000876924354 623745186 /nfs/dbraw/zinc/74/51/86/623745186.db2.gz PWUXTEKJHCUHQQ-ZDUSSCGKSA-N 0 3 313.397 3.322 20 10 DGCDHN COc1cccc(CC[NH2+]Cc2ccc(C)cc2[O-])c1OC ZINC000876945707 623750957 /nfs/dbraw/zinc/75/09/57/623750957.db2.gz AJVYKLJYJRPLOE-UHFFFAOYSA-N 0 3 301.386 3.050 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000876970210 623757434 /nfs/dbraw/zinc/75/74/34/623757434.db2.gz LGSLIDHCEVIJBQ-OAHLLOKOSA-N 0 3 314.404 3.456 20 10 DGCDHN COc1ccc(CC[NH2+]Cc2c(C)cccc2[O-])c(OC)c1 ZINC000876988476 623760587 /nfs/dbraw/zinc/76/05/87/623760587.db2.gz HQKBZYWIEMCEPF-UHFFFAOYSA-N 0 3 301.386 3.050 20 10 DGCDHN COc1cccc(N2CC[C@@H]([NH2+]Cc3c(C)cccc3[O-])C2)c1 ZINC000877004914 623764485 /nfs/dbraw/zinc/76/44/85/623764485.db2.gz NPCHJDGHMOQZDD-OAHLLOKOSA-N 0 3 312.413 3.078 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000877058211 623778683 /nfs/dbraw/zinc/77/86/83/623778683.db2.gz VFNQSPDDABYIFP-OAHLLOKOSA-N 0 3 309.768 3.316 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000877130946 623799473 /nfs/dbraw/zinc/79/94/73/623799473.db2.gz VJPIMHFCFJGBIU-MRXNPFEDSA-N 0 3 309.768 3.316 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000877163942 623812349 /nfs/dbraw/zinc/81/23/49/623812349.db2.gz WXFCHJZDCLJQRK-OAHLLOKOSA-N 0 3 320.433 3.094 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000877189316 623822854 /nfs/dbraw/zinc/82/28/54/623822854.db2.gz MKWRILKFOFTHNQ-GXTWGEPZSA-N 0 3 324.415 3.413 20 10 DGCDHN CCOc1ccc(CN[C@H](CCOC)c2ccco2)c(O)c1 ZINC000779990517 623846356 /nfs/dbraw/zinc/84/63/56/623846356.db2.gz HIBNHZORYGBTEZ-OAHLLOKOSA-N 0 3 305.374 3.251 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c([O-])c1 ZINC000877377600 623862163 /nfs/dbraw/zinc/86/21/63/623862163.db2.gz RISAZNDKQWHDBY-HNNXBMFYSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c([O-])c1 ZINC000877377600 623862171 /nfs/dbraw/zinc/86/21/71/623862171.db2.gz RISAZNDKQWHDBY-HNNXBMFYSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cscc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877483082 623904554 /nfs/dbraw/zinc/90/45/54/623904554.db2.gz JNLCKRUGZNKZMX-UHFFFAOYSA-N 0 3 316.470 3.307 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000877533513 623928959 /nfs/dbraw/zinc/92/89/59/623928959.db2.gz QVMJFALXEZQXFZ-OAHLLOKOSA-N 0 3 305.805 3.220 20 10 DGCDHN CC[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])NC(=O)OC(C)(C)C ZINC000877561895 623942466 /nfs/dbraw/zinc/94/24/66/623942466.db2.gz MYGLXOYRHGTHBF-AWEZNQCLSA-N 0 3 308.422 3.094 20 10 DGCDHN CC1(c2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc2)OCCO1 ZINC000877667444 623983999 /nfs/dbraw/zinc/98/39/99/623983999.db2.gz GYEJEDRSYMGMSM-UHFFFAOYSA-N 0 3 317.360 3.041 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)c1[O-] ZINC000877684620 623991640 /nfs/dbraw/zinc/99/16/40/623991640.db2.gz YSTIMBHKYVMNFY-CHWSQXEVSA-N 0 3 313.825 3.083 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1[O-] ZINC000877755545 624021677 /nfs/dbraw/zinc/02/16/77/624021677.db2.gz DPIPZUCPRRTANS-RHSMWYFYSA-N 0 3 313.397 3.411 20 10 DGCDHN C[C@H]([NH2+]CC1(CNC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000877758060 624023781 /nfs/dbraw/zinc/02/37/81/624023781.db2.gz HORXHBBDHZAFGU-ZDUSSCGKSA-N 0 3 320.433 3.348 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c1[O-] ZINC000877796331 624037248 /nfs/dbraw/zinc/03/72/48/624037248.db2.gz DDKSTYVBAKSYNF-LBPRGKRZSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(C)(C)O)C2)c1[O-] ZINC000877796331 624037249 /nfs/dbraw/zinc/03/72/49/624037249.db2.gz DDKSTYVBAKSYNF-LBPRGKRZSA-N 0 3 313.825 3.037 20 10 DGCDHN Cc1ccc(O)c(CN2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC000877825389 624058281 /nfs/dbraw/zinc/05/82/81/624058281.db2.gz ZLCYKFPBEHERSJ-BXUZGUMPSA-N 0 3 303.324 3.242 20 10 DGCDHN COc1cccc2c1CCN(Cc1cc3c(cc1O)CCC3)C2 ZINC000782290611 624233562 /nfs/dbraw/zinc/23/35/62/624233562.db2.gz HVUURDPDOLQJAP-UHFFFAOYSA-N 0 3 309.409 3.448 20 10 DGCDHN COCCOc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000783505997 624359922 /nfs/dbraw/zinc/35/99/22/624359922.db2.gz YEPOTPMWMJKNLD-AWEZNQCLSA-N 0 3 301.386 3.268 20 10 DGCDHN COc1cccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648472 624620918 /nfs/dbraw/zinc/62/09/18/624620918.db2.gz QMCIKJTZNCMNLF-CYBMUJFWSA-N 0 3 314.385 3.080 20 10 DGCDHN C[C@@H](NCc1cc(F)cc2c1OCOC2)c1ccccc1O ZINC000879647767 624621094 /nfs/dbraw/zinc/62/10/94/624621094.db2.gz KRYJZIQRRJYUSX-LLVKDONJSA-N 0 3 303.333 3.249 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ccccc1[O-] ZINC000879647526 624621316 /nfs/dbraw/zinc/62/13/16/624621316.db2.gz COUGPMPODFGINX-LSDHHAIUSA-N 0 3 324.424 3.411 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccccc1[O-] ZINC000879650082 624622862 /nfs/dbraw/zinc/62/28/62/624622862.db2.gz ZXCQMSJMXKTYFX-XQLPTFJDSA-N 0 3 304.434 3.221 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879651345 624624252 /nfs/dbraw/zinc/62/42/52/624624252.db2.gz RRZVNLWXYBDNPS-IJEWVQPXSA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC000879650621 624624358 /nfs/dbraw/zinc/62/43/58/624624358.db2.gz KBBIKOKXJJCUHR-HOTGVXAUSA-N 0 3 324.424 3.205 20 10 DGCDHN CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccccc1[O-])C1CCCC1 ZINC000879651086 624624638 /nfs/dbraw/zinc/62/46/38/624624638.db2.gz HDYLWIMHTNONAI-AWEZNQCLSA-N 0 3 304.434 3.222 20 10 DGCDHN C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879652371 624626055 /nfs/dbraw/zinc/62/60/55/624626055.db2.gz ZIVFGSXTDRHIGW-JSGCOSHPSA-N 0 3 321.804 3.136 20 10 DGCDHN CC[C@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652829 624626723 /nfs/dbraw/zinc/62/67/23/624626723.db2.gz ITBYCNKAXDQJPK-KKUMJFAQSA-N 0 3 304.434 3.222 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCc2ccccc21 ZINC000879652806 624626747 /nfs/dbraw/zinc/62/67/47/624626747.db2.gz IPNWASAOSJRRLV-UONOGXRCSA-N 0 3 310.397 3.021 20 10 DGCDHN CN(C)CC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCCC1 ZINC000790985764 625731066 /nfs/dbraw/zinc/73/10/66/625731066.db2.gz BRODYUNABNUSME-UHFFFAOYSA-N 0 3 314.832 3.396 20 10 DGCDHN CCC[N@H+](CCN1CCCC1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000796378388 626044529 /nfs/dbraw/zinc/04/45/29/626044529.db2.gz IXYHUMAJPRDTAW-UHFFFAOYSA-N 0 3 322.424 3.042 20 10 DGCDHN CCC[N@@H+](CCN1CCCC1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000796378388 626044532 /nfs/dbraw/zinc/04/45/32/626044532.db2.gz IXYHUMAJPRDTAW-UHFFFAOYSA-N 0 3 322.424 3.042 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)C(C)C ZINC000801596882 626411639 /nfs/dbraw/zinc/41/16/39/626411639.db2.gz SKMOREBBUXXMAM-HNNXBMFYSA-N 0 3 306.450 3.250 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)C(C)C ZINC000801596882 626411642 /nfs/dbraw/zinc/41/16/42/626411642.db2.gz SKMOREBBUXXMAM-HNNXBMFYSA-N 0 3 306.450 3.250 20 10 DGCDHN CCCC[N@H+](CCC(=O)NC1CCCC1)Cc1ccccc1[O-] ZINC000801596849 626411893 /nfs/dbraw/zinc/41/18/93/626411893.db2.gz QZOZZMJSNWHAJG-UHFFFAOYSA-N 0 3 318.461 3.443 20 10 DGCDHN CCCC[N@@H+](CCC(=O)NC1CCCC1)Cc1ccccc1[O-] ZINC000801596849 626411894 /nfs/dbraw/zinc/41/18/94/626411894.db2.gz QZOZZMJSNWHAJG-UHFFFAOYSA-N 0 3 318.461 3.443 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000883263425 626628674 /nfs/dbraw/zinc/62/86/74/626628674.db2.gz SKCYKFLMAYHCRJ-CVEARBPZSA-N 0 3 319.445 3.327 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c1[O-] ZINC000883277394 626634259 /nfs/dbraw/zinc/63/42/59/626634259.db2.gz ZCELEYLOQUSEHV-JSGCOSHPSA-N 0 3 323.820 3.449 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1[O-] ZINC000808695530 626850388 /nfs/dbraw/zinc/85/03/88/626850388.db2.gz ITDJDTNLMFMTFW-LLVKDONJSA-N 0 3 310.825 3.050 20 10 DGCDHN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808697807 626850404 /nfs/dbraw/zinc/85/04/04/626850404.db2.gz WATORWZNKLSGCU-OPQQBVKSSA-N 0 3 303.855 3.117 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c1[O-] ZINC000808695531 626850498 /nfs/dbraw/zinc/85/04/98/626850498.db2.gz OANOFMCZKVWLBA-OLZOCXBDSA-N 0 3 313.825 3.058 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNc2ncccn2)c1[O-] ZINC000808701026 626851239 /nfs/dbraw/zinc/85/12/39/626851239.db2.gz NYFCOQMENMDXIK-LBPRGKRZSA-N 0 3 320.824 3.297 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1[O-] ZINC000808708568 626852170 /nfs/dbraw/zinc/85/21/70/626852170.db2.gz NHHFOJZAXVZSFM-PELKAZGASA-N 0 3 311.731 3.318 20 10 DGCDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808714002 626853103 /nfs/dbraw/zinc/85/31/03/626853103.db2.gz LHXRQHLHHWJTNS-TUKIKUTGSA-N 0 3 313.825 3.199 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000134475428 626878364 /nfs/dbraw/zinc/87/83/64/626878364.db2.gz VOVYXVDSGXOLMS-UHFFFAOYSA-N 0 3 313.184 3.263 20 10 DGCDHN COc1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1O ZINC000809740132 626944353 /nfs/dbraw/zinc/94/43/53/626944353.db2.gz MMZAWJWILIBPEM-UHFFFAOYSA-N 0 3 307.777 3.358 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC000809758691 626948106 /nfs/dbraw/zinc/94/81/06/626948106.db2.gz TXVYTQMQRBFDGZ-HZPDHXFCSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC000809758691 626948107 /nfs/dbraw/zinc/94/81/07/626948107.db2.gz TXVYTQMQRBFDGZ-HZPDHXFCSA-N 0 3 319.445 3.430 20 10 DGCDHN Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C2 ZINC000810259811 626993843 /nfs/dbraw/zinc/99/38/43/626993843.db2.gz TVXISLYSXACOHX-IUODEOHRSA-N 0 3 301.361 3.494 20 10 DGCDHN CCN(CC)c1ccc(CNCc2n[nH]c(C)c2C)cc1F ZINC000885975001 627074346 /nfs/dbraw/zinc/07/43/46/627074346.db2.gz IEXUGISRYUZDLJ-UHFFFAOYSA-N 0 3 304.413 3.302 20 10 DGCDHN COc1ccc(CN[C@H](C)c2ccccc2O)c(F)c1OC ZINC000886186289 627118795 /nfs/dbraw/zinc/11/87/95/627118795.db2.gz USDQAHDGGGMRIS-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN C[C@@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000886708666 627195362 /nfs/dbraw/zinc/19/53/62/627195362.db2.gz ADYDFCHCGVOOLE-CVEARBPZSA-N 0 3 319.445 3.409 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c([O-])c1 ZINC000886772526 627203286 /nfs/dbraw/zinc/20/32/86/627203286.db2.gz ZVEKBLYLEWEAPL-KSPMYQCISA-N 0 3 319.445 3.324 20 10 DGCDHN CC(C)(C)OC(=O)N(CCC[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000222042496 627233484 /nfs/dbraw/zinc/23/34/84/627233484.db2.gz DETRLXIMNUJZQO-UHFFFAOYSA-N 0 3 320.433 3.271 20 10 DGCDHN COc1cccc(C2(C[NH2+]Cc3cc(F)ccc3[O-])CC2)c1 ZINC000811509967 627284473 /nfs/dbraw/zinc/28/44/73/627284473.db2.gz NSCJPEIJYWDSOL-UHFFFAOYSA-N 0 3 301.361 3.361 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1[O-] ZINC000813882673 627518902 /nfs/dbraw/zinc/51/89/02/627518902.db2.gz GVEULVMDHSDYQL-CYBMUJFWSA-N 0 3 308.381 3.095 20 10 DGCDHN Cc1cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815119746 627630059 /nfs/dbraw/zinc/63/00/59/627630059.db2.gz GHQOGZRTALGZEF-ZWKOTPCHSA-N 0 3 302.462 3.450 20 10 DGCDHN CCN1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816543520 627804823 /nfs/dbraw/zinc/80/48/23/627804823.db2.gz DMYALFKQYSXFOH-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN CN1CCC[C@]2(CC[N@H+](Cc3ccc4ccccc4c3[O-])C2)C1 ZINC000816642073 627818574 /nfs/dbraw/zinc/81/85/74/627818574.db2.gz OQHMNSMIXZPZOH-FQEVSTJZSA-N 0 3 310.441 3.463 20 10 DGCDHN CN1CCC[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)C1 ZINC000816642073 627818576 /nfs/dbraw/zinc/81/85/76/627818576.db2.gz OQHMNSMIXZPZOH-FQEVSTJZSA-N 0 3 310.441 3.463 20 10 DGCDHN Oc1cc2c(cc1CN1CCC[C@H](CC(F)(F)F)C1)OCO2 ZINC000817365391 627889907 /nfs/dbraw/zinc/88/99/07/627889907.db2.gz OTDOCYIIBDDRRD-SNVBAGLBSA-N 0 3 317.307 3.285 20 10 DGCDHN COC1([C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCOCC1 ZINC000817587700 627927546 /nfs/dbraw/zinc/92/75/46/627927546.db2.gz HISIRIFOKMWFQI-OBJOEFQTSA-N 0 3 323.408 3.253 20 10 DGCDHN CC[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940847 627968406 /nfs/dbraw/zinc/96/84/06/627968406.db2.gz LGBILDZLUCIXJL-SKDRFNHKSA-N 0 3 303.233 3.492 20 10 DGCDHN CC[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817953812 627973491 /nfs/dbraw/zinc/97/34/91/627973491.db2.gz RSMBPXVOTJZVLA-DGCLKSJQSA-N 0 3 302.340 3.204 20 10 DGCDHN CC[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817959688 627975430 /nfs/dbraw/zinc/97/54/30/627975430.db2.gz GIJGAACJWZEXRK-QWHCGFSZSA-N 0 3 302.340 3.189 20 10 DGCDHN C[C@@H]([NH2+]CCCNC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817984115 627983383 /nfs/dbraw/zinc/98/33/83/627983383.db2.gz NIXBMAOBOHQDLB-SNVBAGLBSA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@@H](N[C@H]1CCCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984321 627983843 /nfs/dbraw/zinc/98/38/43/627983843.db2.gz QJUSUAYEBBCWJN-ZJUUUORDSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCCCNC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984321 627983845 /nfs/dbraw/zinc/98/38/45/627983845.db2.gz QJUSUAYEBBCWJN-ZJUUUORDSA-N 0 3 303.233 3.492 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1[O-] ZINC000927017068 627997939 /nfs/dbraw/zinc/99/79/39/627997939.db2.gz VQGHJCUBEKIFAK-NVXWUHKLSA-N 0 3 319.445 3.470 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c([O-])c1 ZINC000927015890 627997992 /nfs/dbraw/zinc/99/79/92/627997992.db2.gz RMXOSOZWFBUWDW-LSDHHAIUSA-N 0 3 305.418 3.079 20 10 DGCDHN COc1ccc(N2CC[C@H](CNCc3csc(C)n3)C2)cc1 ZINC000818220358 628005934 /nfs/dbraw/zinc/00/59/34/628005934.db2.gz JQJVKLXJWVMFHK-CQSZACIVSA-N 0 3 317.458 3.076 20 10 DGCDHN COc1ccc(N2CC[C@H](CNCc3nc(C)cs3)C2)cc1 ZINC000818221478 628006615 /nfs/dbraw/zinc/00/66/15/628006615.db2.gz NGCJOHKZSQEKAC-CQSZACIVSA-N 0 3 317.458 3.076 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](CC)COCC(F)(F)F)c([O-])c1 ZINC000824556088 628670669 /nfs/dbraw/zinc/67/06/69/628670669.db2.gz ZUUBQJZJGHBJQU-LBPRGKRZSA-N 0 3 321.339 3.238 20 10 DGCDHN CC(C)N(Cc1cnn2c1CCC2)Cc1ccc(N(C)C)cc1 ZINC000824565977 628671989 /nfs/dbraw/zinc/67/19/89/628671989.db2.gz ADUQVWGFEIOEDN-UHFFFAOYSA-N 0 3 312.461 3.306 20 10 DGCDHN Cc1c(Br)cncc1CN(C)Cc1ccccc1O ZINC000824596207 628674919 /nfs/dbraw/zinc/67/49/19/628674919.db2.gz CPMCAIDZUCPMSE-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726259 628687666 /nfs/dbraw/zinc/68/76/66/628687666.db2.gz JXXGFIBMBVZTLD-SFHVURJKSA-N 0 3 319.351 3.261 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726259 628687669 /nfs/dbraw/zinc/68/76/69/628687669.db2.gz JXXGFIBMBVZTLD-SFHVURJKSA-N 0 3 319.351 3.261 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(OC)c1ccccc1 ZINC000824780649 628693051 /nfs/dbraw/zinc/69/30/51/628693051.db2.gz YFMSPNIZVNYFRL-SFHVURJKSA-N 0 3 301.386 3.052 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000824854943 628700841 /nfs/dbraw/zinc/70/08/41/628700841.db2.gz DRIOFFQUEOJCLE-CQSZACIVSA-N 0 3 308.853 3.272 20 10 DGCDHN COc1cc(Cl)cc(CN2CCSC[C@@H]2C2CC2)c1O ZINC000824913763 628705594 /nfs/dbraw/zinc/70/55/94/628705594.db2.gz FCNKRDOBNNGEDU-CYBMUJFWSA-N 0 3 313.850 3.382 20 10 DGCDHN Cc1cc([O-])c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1Cl ZINC000825885143 628806784 /nfs/dbraw/zinc/80/67/84/628806784.db2.gz DGAADLAAVHADHQ-HIFRSBDPSA-N 0 3 308.853 3.413 20 10 DGCDHN COc1cc(Cl)cc(CN[C@H]2C[C@@H](O)c3ccccc32)c1O ZINC000827179389 628932755 /nfs/dbraw/zinc/93/27/55/628932755.db2.gz WLPYBWTVORZCEQ-LSDHHAIUSA-N 0 3 319.788 3.322 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1[O-] ZINC000827179389 628932757 /nfs/dbraw/zinc/93/27/57/628932757.db2.gz WLPYBWTVORZCEQ-LSDHHAIUSA-N 0 3 319.788 3.322 20 10 DGCDHN CCc1cccc(CNCc2ccc(C(=O)OC)cc2F)c1O ZINC000827519351 628966720 /nfs/dbraw/zinc/96/67/20/628966720.db2.gz LRNJTYGRFHMRPR-UHFFFAOYSA-N 0 3 317.360 3.170 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000828014016 629014617 /nfs/dbraw/zinc/01/46/17/629014617.db2.gz QWVKTIILJZBHAL-UHFFFAOYSA-N 0 3 312.461 3.369 20 10 DGCDHN CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)Cc1ccccc1 ZINC000834487367 629717253 /nfs/dbraw/zinc/71/72/53/629717253.db2.gz BZKVDKZCWQZLLX-MSOLQXFVSA-N 0 3 310.441 3.142 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@]1(O)CCCc3ccccc31)CC2 ZINC000834576157 629732380 /nfs/dbraw/zinc/73/23/80/629732380.db2.gz TUXFIKGISOMZGX-FXAWDEMLSA-N 0 3 309.409 3.193 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOc1ncccc1Cl)CC2 ZINC000834680929 629755620 /nfs/dbraw/zinc/75/56/20/629755620.db2.gz PFSDZBZRFFXBIP-CYBMUJFWSA-N 0 3 304.777 3.097 20 10 DGCDHN CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC000834692671 629759234 /nfs/dbraw/zinc/75/92/34/629759234.db2.gz GVEYPYHUVFAAHH-IAGOWNOFSA-N 0 3 322.408 3.467 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)CC2 ZINC000834803018 629782178 /nfs/dbraw/zinc/78/21/78/629782178.db2.gz IGUZGZSFSIUMHX-SQGPQFPESA-N 0 3 309.409 3.135 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(F)ccc1[O-] ZINC000834905955 629805099 /nfs/dbraw/zinc/80/50/99/629805099.db2.gz XBMOMMGZFANRPD-RVZJWNSFSA-N 0 3 316.376 3.497 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000834914551 629807709 /nfs/dbraw/zinc/80/77/09/629807709.db2.gz NPSBBVOZUPXANK-LNSITVRQSA-N 0 3 322.836 3.158 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2cccc3c2OCCO3)cc1 ZINC000835032423 629830044 /nfs/dbraw/zinc/83/00/44/629830044.db2.gz BZFREGNEGVZSRX-SNAWJCMRSA-N 0 3 324.424 3.327 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@](C)(CO)c2ccccc2)cc1 ZINC000835039085 629831238 /nfs/dbraw/zinc/83/12/38/629831238.db2.gz GDWXKFGZLBORAT-WHXUGTBJSA-N 0 3 310.441 3.263 20 10 DGCDHN Cc1ccsc1[C@@H](CO)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835042887 629832615 /nfs/dbraw/zinc/83/26/15/629832615.db2.gz LCVCMXSKROOTOR-VGOKWCNXSA-N 0 3 316.470 3.459 20 10 DGCDHN CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000835042042 629832749 /nfs/dbraw/zinc/83/27/49/629832749.db2.gz QJTPLVSVVJDIEX-LUNKNMTDSA-N 0 3 316.367 3.057 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2c3c(nn2C)CCCC3)cc1 ZINC000835056563 629839600 /nfs/dbraw/zinc/83/96/00/629839600.db2.gz VTJMFWOBIOASQM-SREVYHEPSA-N 0 3 324.472 3.168 20 10 DGCDHN COC(=O)[C@@H](C)C[N@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000102652997 630192031 /nfs/dbraw/zinc/19/20/31/630192031.db2.gz FKGMKKXSXJNKCL-ZDUSSCGKSA-N 0 3 313.397 3.319 20 10 DGCDHN COC(=O)[C@@H](C)C[N@@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000102652997 630192035 /nfs/dbraw/zinc/19/20/35/630192035.db2.gz FKGMKKXSXJNKCL-ZDUSSCGKSA-N 0 3 313.397 3.319 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1[O-] ZINC000840960911 630385843 /nfs/dbraw/zinc/38/58/43/630385843.db2.gz NUFOFFIVFBKRLX-MGPLVRAMSA-N 0 3 313.825 3.347 20 10 DGCDHN Fc1cc(CN[C@@H]2CCCC[C@H]2F)ccc1N1CCOCC1 ZINC000840962210 630387524 /nfs/dbraw/zinc/38/75/24/630387524.db2.gz JBSRHPICJQSBEA-GDBMZVCRSA-N 0 3 310.388 3.033 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000842616155 630554221 /nfs/dbraw/zinc/55/42/21/630554221.db2.gz SKRPJYGGEAIPAR-HNNXBMFYSA-N 0 3 320.396 3.022 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000842616155 630554224 /nfs/dbraw/zinc/55/42/24/630554224.db2.gz SKRPJYGGEAIPAR-HNNXBMFYSA-N 0 3 320.396 3.022 20 10 DGCDHN Cc1ccc(-c2nn(C)cc2CNCc2ccc3c(c2)CCO3)o1 ZINC000842673487 630561616 /nfs/dbraw/zinc/56/16/16/630561616.db2.gz NENNAJAHZMQUEW-UHFFFAOYSA-N 0 3 323.396 3.213 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1[O-] ZINC000842884383 630589177 /nfs/dbraw/zinc/58/91/77/630589177.db2.gz JAKKVTPLHHYNAP-GJZGRUSLSA-N 0 3 304.434 3.141 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)c2c1c(F)ccc2[O-] ZINC000842885797 630589766 /nfs/dbraw/zinc/58/97/66/630589766.db2.gz PIFZSSQSHLQTEG-WXHSDQCUSA-N 0 3 320.408 3.069 20 10 DGCDHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000842929686 630594739 /nfs/dbraw/zinc/59/47/39/630594739.db2.gz RATPUXZZPKSVER-MCIONIFRSA-N 0 3 324.852 3.005 20 10 DGCDHN Cc1cccc2nc(CC[NH2+][C@@H]3CCc4cccc([O-])c43)cn21 ZINC000842932937 630594805 /nfs/dbraw/zinc/59/48/05/630594805.db2.gz LLFPHSAUWRQQMT-MRXNPFEDSA-N 0 3 307.397 3.168 20 10 DGCDHN Cc1cccc2nc(CC[NH2+][C@H]3CCc4cccc([O-])c43)cn21 ZINC000842932936 630594928 /nfs/dbraw/zinc/59/49/28/630594928.db2.gz LLFPHSAUWRQQMT-INIZCTEOSA-N 0 3 307.397 3.168 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c1[O-] ZINC000842930716 630595000 /nfs/dbraw/zinc/59/50/00/630595000.db2.gz ZOBZFXQAQMPVIH-JFGNBEQYSA-N 0 3 314.223 3.291 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1[O-] ZINC000843419993 630655335 /nfs/dbraw/zinc/65/53/35/630655335.db2.gz XWAFZJRQUHGMLQ-ZDUSSCGKSA-N 0 3 318.804 3.439 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1[O-] ZINC000843419993 630655337 /nfs/dbraw/zinc/65/53/37/630655337.db2.gz XWAFZJRQUHGMLQ-ZDUSSCGKSA-N 0 3 318.804 3.439 20 10 DGCDHN COc1ccc(N(C)CCN(C)Cc2ccc(C)nc2C)cc1 ZINC000844400901 630724876 /nfs/dbraw/zinc/72/48/76/630724876.db2.gz GNCCSQHPKIZJHF-UHFFFAOYSA-N 0 3 313.445 3.275 20 10 DGCDHN C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)[C@@H]1CC[NH3+] ZINC000844900687 630970721 /nfs/dbraw/zinc/97/07/21/630970721.db2.gz CQEYFWAGPMEDNQ-ZWNOBZJWSA-N 0 3 300.805 3.134 20 10 DGCDHN CCn1cc(CN(Cc2cccc(OC)c2O)C(C)C)cn1 ZINC000846055092 631208237 /nfs/dbraw/zinc/20/82/37/631208237.db2.gz IQFSUWZTSDHNRW-UHFFFAOYSA-N 0 3 303.406 3.028 20 10 DGCDHN C[C@@H](CCO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846110735 631210063 /nfs/dbraw/zinc/21/00/63/631210063.db2.gz KOFLYDLHSHEDIH-HNNXBMFYSA-N 0 3 315.413 3.174 20 10 DGCDHN C[C@@H](CCO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846110735 631210065 /nfs/dbraw/zinc/21/00/65/631210065.db2.gz KOFLYDLHSHEDIH-HNNXBMFYSA-N 0 3 315.413 3.174 20 10 DGCDHN COc1cccc([C@H](C)NCc2cccc(OC)c2OC)c1O ZINC000846140911 631211535 /nfs/dbraw/zinc/21/15/35/631211535.db2.gz IUAWYTJIQGLGTI-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN COc1cccc([C@H](C)NCc2c(C)cc(C)nc2OC)c1O ZINC000846142926 631211821 /nfs/dbraw/zinc/21/18/21/631211821.db2.gz BWTBAXTVIFYQPV-ZDUSSCGKSA-N 0 3 316.401 3.272 20 10 DGCDHN CC(C)C[N@H+](C)CCCN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000846178473 631213900 /nfs/dbraw/zinc/21/39/00/631213900.db2.gz WDISTLWAHGTIJE-LBPRGKRZSA-N 0 3 300.393 3.299 20 10 DGCDHN CC(C)C[N@@H+](C)CCCN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000846178473 631213902 /nfs/dbraw/zinc/21/39/02/631213902.db2.gz WDISTLWAHGTIJE-LBPRGKRZSA-N 0 3 300.393 3.299 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1[O-] ZINC000848526957 631677796 /nfs/dbraw/zinc/67/77/96/631677796.db2.gz MXEVIKPKYFJZPP-UTLUCORTSA-N 0 3 314.223 3.470 20 10 DGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCF)c1[O-] ZINC000848536428 631683254 /nfs/dbraw/zinc/68/32/54/631683254.db2.gz RWYAMRTYBJNUCJ-MRVPVSSYSA-N 0 3 306.175 3.174 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c([O-])c1 ZINC000848924974 631789502 /nfs/dbraw/zinc/78/95/02/631789502.db2.gz JFGUJHPQPSLOTN-KRWDZBQOSA-N 0 3 305.418 3.324 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c([O-])c1 ZINC000848924974 631789508 /nfs/dbraw/zinc/78/95/08/631789508.db2.gz JFGUJHPQPSLOTN-KRWDZBQOSA-N 0 3 305.418 3.324 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCCCO1 ZINC000848928018 631792525 /nfs/dbraw/zinc/79/25/25/631792525.db2.gz UETBHCFYEKCMMF-ZIAGYGMSSA-N 0 3 313.825 3.492 20 10 DGCDHN COc1cc(CNCc2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000850006517 632026354 /nfs/dbraw/zinc/02/63/54/632026354.db2.gz VUCUKOPADOCKRO-UHFFFAOYSA-N 0 3 300.402 3.383 20 10 DGCDHN COc1cc(CN[C@H](C)c2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850155820 632067255 /nfs/dbraw/zinc/06/72/55/632067255.db2.gz AMAWJKYOIQOQMC-GFCCVEGCSA-N 0 3 317.433 3.283 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CCC(C)(C)F)c1[O-] ZINC000850374314 632130208 /nfs/dbraw/zinc/13/02/08/632130208.db2.gz IMQRJZOTMVAKTP-UHFFFAOYSA-N 0 3 320.202 3.391 20 10 DGCDHN Oc1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1)CC2 ZINC000850386493 632135240 /nfs/dbraw/zinc/13/52/40/632135240.db2.gz JUJUZVVLIMYGRA-HXUWFJFHSA-N 0 3 324.424 3.006 20 10 DGCDHN C[C@@H](O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850419491 632147128 /nfs/dbraw/zinc/14/71/28/632147128.db2.gz FTIIERRDEIXJNE-FZKQIMNGSA-N 0 3 302.393 3.103 20 10 DGCDHN CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1)c1ccc(C)cc1[O-] ZINC000850501809 632173224 /nfs/dbraw/zinc/17/32/24/632173224.db2.gz POIIIHFHXCFGCK-CIRFHOKZSA-N 0 3 321.461 3.307 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc(F)ccc1[O-] ZINC000850501985 632173626 /nfs/dbraw/zinc/17/36/26/632173626.db2.gz QUHGDFKEJAOBNK-CYBMUJFWSA-N 0 3 315.392 3.377 20 10 DGCDHN C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1[O-] ZINC000850536645 632185863 /nfs/dbraw/zinc/18/58/63/632185863.db2.gz IPGLNOJVUOKXQZ-HZMBPMFUSA-N 0 3 305.324 3.325 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2c(C3CCC3)cnn2C)c1 ZINC000850550292 632190055 /nfs/dbraw/zinc/19/00/55/632190055.db2.gz MJYZVOWAWSDGGF-GFCCVEGCSA-N 0 3 315.417 3.253 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c([O-])c1 ZINC000850561028 632194547 /nfs/dbraw/zinc/19/45/47/632194547.db2.gz HMUCOPNKYJXVOA-BEFAXECRSA-N 0 3 321.461 3.227 20 10 DGCDHN Oc1cccc2c1[C@@H](NCc1cccc3c1OC(F)(F)O3)CC2 ZINC000850572140 632198584 /nfs/dbraw/zinc/19/85/84/632198584.db2.gz BMULZUNLEWULNL-LBPRGKRZSA-N 0 3 319.307 3.491 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)CC2 ZINC000850580064 632200933 /nfs/dbraw/zinc/20/09/33/632200933.db2.gz GJLUTNQETMGJNZ-DZGCQCFKSA-N 0 3 323.314 3.120 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCCCCC2=O)c([O-])c1 ZINC000184867764 660193099 /nfs/dbraw/zinc/19/30/99/660193099.db2.gz BPIRSGZBBPKIGM-OAHLLOKOSA-N 0 3 304.434 3.144 20 10 DGCDHN COc1ccc(OCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184903747 660194844 /nfs/dbraw/zinc/19/48/44/660194844.db2.gz QGWUVARLIFMOKZ-GFCCVEGCSA-N 0 3 305.349 3.270 20 10 DGCDHN COCC1=CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000185054542 660200327 /nfs/dbraw/zinc/20/03/27/660200327.db2.gz WWMLGHMRPRNHKW-UHFFFAOYSA-N 0 3 313.397 3.333 20 10 DGCDHN COCC1=CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000185054542 660200328 /nfs/dbraw/zinc/20/03/28/660200328.db2.gz WWMLGHMRPRNHKW-UHFFFAOYSA-N 0 3 313.397 3.333 20 10 DGCDHN COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C2 ZINC000185334922 660215644 /nfs/dbraw/zinc/21/56/44/660215644.db2.gz LRPKKCKUJSHTPG-BXUZGUMPSA-N 0 3 317.360 3.194 20 10 DGCDHN COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])C2 ZINC000185334734 660215647 /nfs/dbraw/zinc/21/56/47/660215647.db2.gz BHRHPJRVPOOGAD-DZGCQCFKSA-N 0 3 313.397 3.364 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCOCC2CCOCC2)c([O-])c1 ZINC000185520407 660226904 /nfs/dbraw/zinc/22/69/04/660226904.db2.gz GHFRAPKNTMBLIC-HNNXBMFYSA-N 0 3 307.434 3.185 20 10 DGCDHN C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000185647591 660235291 /nfs/dbraw/zinc/23/52/91/660235291.db2.gz OQWPFQXGJGXHNI-ZDUSSCGKSA-N 0 3 320.383 3.453 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@]2(C)CO)c(C(F)(F)F)c1 ZINC000793157877 661008349 /nfs/dbraw/zinc/00/83/49/661008349.db2.gz KKHWGFZJDCKADP-HNNXBMFYSA-N 0 3 316.367 3.118 20 10 DGCDHN CCN(CC)c1ccc(C[NH2+]Cc2ncccc2[O-])cc1F ZINC000793255360 661018399 /nfs/dbraw/zinc/01/83/99/661018399.db2.gz HNUCCBJPEMDAGQ-UHFFFAOYSA-N 0 3 303.381 3.062 20 10 DGCDHN Cc1cccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1C ZINC000793570349 661046681 /nfs/dbraw/zinc/04/66/81/661046681.db2.gz MJFJKTZQXDSHRS-SFHVURJKSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1cccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1C ZINC000793570349 661046683 /nfs/dbraw/zinc/04/66/83/661046683.db2.gz MJFJKTZQXDSHRS-SFHVURJKSA-N 0 3 313.397 3.067 20 10 DGCDHN COc1cccc(O)c1CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793612065 661050001 /nfs/dbraw/zinc/05/00/01/661050001.db2.gz IZIKSCIWSROINQ-UONOGXRCSA-N 0 3 316.228 3.417 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793612065 661050003 /nfs/dbraw/zinc/05/00/03/661050003.db2.gz IZIKSCIWSROINQ-UONOGXRCSA-N 0 3 316.228 3.417 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793612065 661050004 /nfs/dbraw/zinc/05/00/04/661050004.db2.gz IZIKSCIWSROINQ-UONOGXRCSA-N 0 3 316.228 3.417 20 10 DGCDHN CC[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794802854 661106083 /nfs/dbraw/zinc/10/60/83/661106083.db2.gz OYJYUSDNPVXCMJ-DOTOQJQBSA-N 0 3 307.434 3.185 20 10 DGCDHN CC[C@@H](N[C@H](CO)c1ccccc1OC)c1ccc(C)cc1O ZINC000794812506 661106710 /nfs/dbraw/zinc/10/67/10/661106710.db2.gz WSDYQUULWQFEKZ-IAGOWNOFSA-N 0 3 315.413 3.484 20 10 DGCDHN CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000795850651 661175864 /nfs/dbraw/zinc/17/58/64/661175864.db2.gz CBANYBKCKMZUKZ-MLGOLLRUSA-N 0 3 316.376 3.059 20 10 DGCDHN COc1cc(O)c(CN2Cc3ccccc3C[C@H]2C)cc1OC ZINC000179445039 655893017 /nfs/dbraw/zinc/89/30/17/655893017.db2.gz GMMHCVTZOFTGQL-CYBMUJFWSA-N 0 3 313.397 3.356 20 10 DGCDHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1Cc1ccccc1 ZINC000309849985 656079553 /nfs/dbraw/zinc/07/95/53/656079553.db2.gz ZTJAVIMYEJJSHB-KDOFPFPSSA-N 0 3 314.404 3.284 20 10 DGCDHN CO[C@@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000179749499 656087609 /nfs/dbraw/zinc/08/76/09/656087609.db2.gz STKGHUWMGOQUKX-CYBMUJFWSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c([O-])c1 ZINC000185164425 656124422 /nfs/dbraw/zinc/12/44/22/656124422.db2.gz YFHVFKAGILHVRG-CABCVRRESA-N 0 3 310.397 3.157 20 10 DGCDHN C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(F)ccc1[O-] ZINC000185443814 656126341 /nfs/dbraw/zinc/12/63/41/656126341.db2.gz QAPUFFBBNAEICK-LBPRGKRZSA-N 0 3 302.349 3.211 20 10 DGCDHN Cn1cc(CC[NH2+]Cc2cc(F)ccc2[O-])c2ccc(F)cc21 ZINC000186474649 656131873 /nfs/dbraw/zinc/13/18/73/656131873.db2.gz FIWOLEMRPJUCIV-UHFFFAOYSA-N 0 3 316.351 3.494 20 10 DGCDHN COc1cccc(CN2CCN(c3ccccc3C)CC2)c1O ZINC000162445121 656149599 /nfs/dbraw/zinc/14/95/99/656149599.db2.gz ZHKOSRCMJGFZSV-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000724912014 656529699 /nfs/dbraw/zinc/52/96/99/656529699.db2.gz GWYOWXFCOZZJSA-ZIAGYGMSSA-N 0 3 320.433 3.361 20 10 DGCDHN C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000317536500 656629033 /nfs/dbraw/zinc/62/90/33/656629033.db2.gz KXOWZZOBFOXUKX-WBMJQRKESA-N 0 3 305.397 3.493 20 10 DGCDHN CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1(CC)CC ZINC000236988201 657037770 /nfs/dbraw/zinc/03/77/70/657037770.db2.gz SQAQWNGWIIWHPU-IRXDYDNUSA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cc(F)ccc1[O-] ZINC000321682555 658290491 /nfs/dbraw/zinc/29/04/91/658290491.db2.gz NFKCOWZDPQATNI-LBPRGKRZSA-N 0 3 322.424 3.219 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCc2nc(C)cs2)c1[O-] ZINC000228670976 659202329 /nfs/dbraw/zinc/20/23/29/659202329.db2.gz FXMLNGQMIFUWTN-UHFFFAOYSA-N 0 3 312.822 3.151 20 10 DGCDHN [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC000230126151 659312907 /nfs/dbraw/zinc/31/29/07/659312907.db2.gz KPPIOEMCUDJPDM-DUFXMDAXSA-N 0 3 315.244 3.258 20 10 DGCDHN C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1ccccc1[O-] ZINC000230406513 659327629 /nfs/dbraw/zinc/32/76/29/659327629.db2.gz UMUYRNWFKBRHOZ-ZDUSSCGKSA-N 0 3 320.433 3.490 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCSC[C@H]3C)c2c1 ZINC000172515506 659342357 /nfs/dbraw/zinc/34/23/57/659342357.db2.gz AUHMIQRJYZFNOY-GFCCVEGCSA-N 0 3 303.427 3.491 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCSC[C@H]3C)c2c1 ZINC000172515506 659342363 /nfs/dbraw/zinc/34/23/63/659342363.db2.gz AUHMIQRJYZFNOY-GFCCVEGCSA-N 0 3 303.427 3.491 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172798543 659357587 /nfs/dbraw/zinc/35/75/87/659357587.db2.gz OAYKLLPDYULSHM-CQSZACIVSA-N 0 3 320.433 3.081 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172798543 659357590 /nfs/dbraw/zinc/35/75/90/659357590.db2.gz OAYKLLPDYULSHM-CQSZACIVSA-N 0 3 320.433 3.081 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)c2nccs2)c1[O-] ZINC000230935865 659359649 /nfs/dbraw/zinc/35/96/49/659359649.db2.gz MGACHUNJQJBBDD-SECBINFHSA-N 0 3 312.822 3.404 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000180395200 659961516 /nfs/dbraw/zinc/96/15/16/659961516.db2.gz WPVCICPIMYKJKT-MRXNPFEDSA-N 0 3 318.392 3.441 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCCC(C)C ZINC000076074111 660086787 /nfs/dbraw/zinc/08/67/87/660086787.db2.gz PBBOXHAYCHEHCX-OAHLLOKOSA-N 0 3 306.450 3.155 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCCC(C)C ZINC000076074111 660086788 /nfs/dbraw/zinc/08/67/88/660086788.db2.gz PBBOXHAYCHEHCX-OAHLLOKOSA-N 0 3 306.450 3.155 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccccc1[O-] ZINC000183671831 660129779 /nfs/dbraw/zinc/12/97/79/660129779.db2.gz VNJJPCCTWGPJGR-DGSCNEQVSA-N 0 3 305.418 3.365 20 10 DGCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000184063853 660154415 /nfs/dbraw/zinc/15/44/15/660154415.db2.gz MNFSPLSEJRVMAH-UHFFFAOYSA-N 0 3 304.321 3.464 20 10 DGCDHN CN(C)c1ccc(CN2Cc3ncccc3N3CCC[C@H]3C2)cc1 ZINC000934495555 661711878 /nfs/dbraw/zinc/71/18/78/661711878.db2.gz XEFRNRNHJPVPPB-SFHVURJKSA-N 0 3 322.456 3.132 20 10 DGCDHN Cc1ccc(O)c(CN(C)Cc2cc(Br)cn2C)c1 ZINC000091961671 662326008 /nfs/dbraw/zinc/32/60/08/662326008.db2.gz KDWWJNQIQHVKAS-UHFFFAOYSA-N 0 3 323.234 3.434 20 10 DGCDHN COc1cc(Br)cc(C[N@H+](C)CCC2CC2)c1[O-] ZINC000092067071 662327299 /nfs/dbraw/zinc/32/72/99/662327299.db2.gz OXBGWBJDXYHFAZ-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+](C)CCC2CC2)c1[O-] ZINC000092067071 662327301 /nfs/dbraw/zinc/32/73/01/662327301.db2.gz OXBGWBJDXYHFAZ-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cccnc1 ZINC000092739795 662335306 /nfs/dbraw/zinc/33/53/06/662335306.db2.gz OKPWAXJNYVDHMK-OAHLLOKOSA-N 0 3 313.470 3.486 20 10 DGCDHN C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000381075803 685154934 /nfs/dbraw/zinc/15/49/34/685154934.db2.gz RAFZWXORZUEIDM-CQSZACIVSA-N 0 3 302.393 3.141 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCSC2)c1[O-] ZINC000384084580 685169756 /nfs/dbraw/zinc/16/97/56/685169756.db2.gz APYLIBMWTFSAEP-SNVBAGLBSA-N 0 3 301.839 3.287 20 10 DGCDHN COc1ccc(C)cc1[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000393385768 685217161 /nfs/dbraw/zinc/21/71/61/685217161.db2.gz NBOROQPUIPLNBM-GFCCVEGCSA-N 0 3 315.369 3.289 20 10 DGCDHN CCCC[C@@H](N)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001577400691 1191897780 /nfs/dbraw/zinc/89/77/80/1191897780.db2.gz FEBVXASCKYVQKJ-QGZVFWFLSA-N 0 3 305.466 3.009 20 10 DGCDHN [NH3+]C[C@]12CN(Cc3c([O-])ccc(Cl)c3F)C[C@H]1CCCC2 ZINC001580256807 1192016857 /nfs/dbraw/zinc/01/68/57/1192016857.db2.gz YNHAUXUQZFHCCC-BDJLRTHQSA-N 0 3 312.816 3.136 20 10 DGCDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](c1nncn1C)C(C)C ZINC001353932187 1180687221 /nfs/dbraw/zinc/68/72/21/1180687221.db2.gz GXVYTGFVVAFUKS-XNJGSVPQSA-N 0 3 314.433 3.364 20 10 DGCDHN COc1ccc(CN[C@H](C)c2cc(C)oc2C)c(O)c1OC ZINC001355242456 1181019433 /nfs/dbraw/zinc/01/94/33/1181019433.db2.gz BCPSTJFVDGXPKE-LLVKDONJSA-N 0 3 305.374 3.470 20 10 DGCDHN COc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)c(O)c1OC ZINC001355321790 1181035960 /nfs/dbraw/zinc/03/59/60/1181035960.db2.gz SOTKNTCHENWCIH-ZBEGNZNMSA-N 0 3 315.369 3.021 20 10 DGCDHN C[C@@H](N[C@H](C)c1ccccc1O)C(=O)c1c[nH]c2ncccc12 ZINC001460636478 1182701608 /nfs/dbraw/zinc/70/16/08/1182701608.db2.gz JHYMFZXPVSFJBN-VXGBXAGGSA-N 0 3 309.369 3.191 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)c1c[nH]c2ncccc12 ZINC001460636478 1182701612 /nfs/dbraw/zinc/70/16/12/1182701612.db2.gz JHYMFZXPVSFJBN-VXGBXAGGSA-N 0 3 309.369 3.191 20 10 DGCDHN C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccccc1[O-] ZINC001460636586 1182702150 /nfs/dbraw/zinc/70/21/50/1182702150.db2.gz IOHFEUXTNFDGBK-LBPRGKRZSA-N 0 3 318.804 3.013 20 10 DGCDHN CC1CCC(O)(CNCc2cc(F)c(N(C)C)cc2F)CC1 ZINC001461670903 1182839974 /nfs/dbraw/zinc/83/99/74/1182839974.db2.gz NSVXHGJODOJGGC-UHFFFAOYSA-N 0 3 312.404 3.062 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC001462169564 1182917719 /nfs/dbraw/zinc/91/77/19/1182917719.db2.gz KNCHRXVJWNQNKR-MFKMUULPSA-N 0 3 303.324 3.482 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC001462169564 1182917722 /nfs/dbraw/zinc/91/77/22/1182917722.db2.gz KNCHRXVJWNQNKR-MFKMUULPSA-N 0 3 303.324 3.482 20 10 DGCDHN C[NH+](C)[C@@H]1CCc2ccccc2N(Cc2cccc(F)c2[O-])C1 ZINC001462425361 1182950608 /nfs/dbraw/zinc/95/06/08/1182950608.db2.gz JGTBFOPDCORZFX-MRXNPFEDSA-N 0 3 314.404 3.414 20 10 DGCDHN CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC001474451629 1183924766 /nfs/dbraw/zinc/92/47/66/1183924766.db2.gz ACKWBQIZVQHYIN-GOEBONIOSA-N 0 3 320.433 3.047 20 10 DGCDHN C[NH+](C)CCN(Cc1ccccn1)Cc1ccc(Cl)cc1[O-] ZINC001474501737 1183932004 /nfs/dbraw/zinc/93/20/04/1183932004.db2.gz HGPTVWKRYAIMJL-UHFFFAOYSA-N 0 3 319.836 3.004 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@H](C)C(=O)NC(C)C)cc1 ZINC001560505126 1189333969 /nfs/dbraw/zinc/33/39/69/1189333969.db2.gz MDGXQXIKUWGZRB-MRXNPFEDSA-N 0 3 319.493 3.316 20 10 DGCDHN CCC(C)(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001627463759 1194130680 /nfs/dbraw/zinc/13/06/80/1194130680.db2.gz FGFFZEPWTQRXNV-QGZVFWFLSA-N 0 3 319.493 3.298 20 10 DGCDHN CCCC[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001627464618 1194130735 /nfs/dbraw/zinc/13/07/35/1194130735.db2.gz PCVZWPLLLMKOJS-QAPCUYQASA-N 0 3 319.493 3.298 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001641902227 1194878055 /nfs/dbraw/zinc/87/80/55/1194878055.db2.gz KJIDDQHRPPSZIJ-IEBWSBKVSA-N 0 3 319.445 3.332 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001641902227 1194878057 /nfs/dbraw/zinc/87/80/57/1194878057.db2.gz KJIDDQHRPPSZIJ-IEBWSBKVSA-N 0 3 319.445 3.332 20 10 DGCDHN COc1ccc(N2CCN(CCc3ccccc3)CC2)c(C)c1 ZINC000059569842 1195102705 /nfs/dbraw/zinc/10/27/05/1195102705.db2.gz DBSPDLJDPMIFMU-UHFFFAOYSA-N 0 3 310.441 3.368 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@@H]1COc2ccccc2[C@H]1O ZINC001651156618 1195420824 /nfs/dbraw/zinc/42/08/24/1195420824.db2.gz GRIIASJYZQQPFM-OXQOHEQNSA-N 0 3 322.408 3.071 20 10 DGCDHN CN(C)c1cc(F)c(CN(C)[C@@H](CO)CC(C)(C)C)cc1F ZINC001652474876 1195603410 /nfs/dbraw/zinc/60/34/10/1195603410.db2.gz PSUIIZROBCXTTF-CYBMUJFWSA-N 0 3 314.420 3.260 20 10 DGCDHN COc1cc(C)c(CNCc2ccc(C)nc2Cl)c(O)c1 ZINC001653028582 1195681650 /nfs/dbraw/zinc/68/16/50/1195681650.db2.gz OEXPLHFMNGPXSZ-UHFFFAOYSA-N 0 3 306.793 3.356 20 10 DGCDHN CN(C)c1cc(F)c(CN(C)C[C@]23CCC[C@H]2OCC3)cc1F ZINC001653266316 1195704865 /nfs/dbraw/zinc/70/48/65/1195704865.db2.gz ORGMDWKBXQRXEF-QZTJIDSGSA-N 0 3 324.415 3.422 20 10 DGCDHN CCO[C@@H]1CCCC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC001656437036 1196040493 /nfs/dbraw/zinc/04/04/93/1196040493.db2.gz YKPQVODJQQTXHR-NVXWUHKLSA-N 0 3 312.404 3.468 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2CC3(CCC3)CO2)cc1F ZINC001656985907 1196090008 /nfs/dbraw/zinc/09/00/08/1196090008.db2.gz VMQOWXYXRJEJJR-ZDUSSCGKSA-N 0 3 310.388 3.080 20 10 DGCDHN O=c1[nH]cc(CNCc2ccc3c(c2)CCO3)c2ccccc12 ZINC001656993432 1196090425 /nfs/dbraw/zinc/09/04/25/1196090425.db2.gz JSAOWNQLQNRNLF-UHFFFAOYSA-N 0 3 306.365 3.165 20 10 DGCDHN COc1cccc(CNCc2c(C)nc3scc(C)n32)c1O ZINC001659696563 1196405970 /nfs/dbraw/zinc/40/59/70/1196405970.db2.gz XCJNTZNEIVPUBF-UHFFFAOYSA-N 0 3 317.414 3.017 20 10 DGCDHN COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001660051043 1196441263 /nfs/dbraw/zinc/44/12/63/1196441263.db2.gz DEFVWIQDDYIHLO-SNVBAGLBSA-N 0 3 316.239 3.366 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC[C@H]2CCC(C)(C)CO2)c([O-])c1 ZINC001660796747 1196525722 /nfs/dbraw/zinc/52/57/22/1196525722.db2.gz TZRYJXVVBSTOQF-CQSZACIVSA-N 0 3 307.434 3.394 20 10 DGCDHN CN(C)c1ccccc1CNCc1ccc2c(c1)CCCN2C ZINC001661175536 1196576282 /nfs/dbraw/zinc/57/62/82/1196576282.db2.gz NIMGYAVJPQGWNG-UHFFFAOYSA-N 0 3 309.457 3.425 20 10 DGCDHN COC(=O)c1c(CN2C[C@@H](C)C[C@@H]2C)c2cc(F)ccc2n1C ZINC001663591961 1196910024 /nfs/dbraw/zinc/91/00/24/1196910024.db2.gz YCJNATRBAMNENZ-RYUDHWBXSA-N 0 3 318.392 3.334 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cccn2C)c([O-])c1 ZINC001664123144 1196972838 /nfs/dbraw/zinc/97/28/38/1196972838.db2.gz UIZKIUSSSCIMNZ-QGZVFWFLSA-N 0 3 300.402 3.385 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2cccn2C)c([O-])c1 ZINC001664123144 1196972841 /nfs/dbraw/zinc/97/28/41/1196972841.db2.gz UIZKIUSSSCIMNZ-QGZVFWFLSA-N 0 3 300.402 3.385 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001664934746 1197080247 /nfs/dbraw/zinc/08/02/47/1197080247.db2.gz SOBVRTTVGVOIAT-GOSISDBHSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001664934746 1197080251 /nfs/dbraw/zinc/08/02/51/1197080251.db2.gz SOBVRTTVGVOIAT-GOSISDBHSA-N 0 3 305.418 3.254 20 10 DGCDHN COc1cc(Cl)cc(CN2CC(C)(C)CC[C@H]2CO)c1O ZINC001665533814 1197148683 /nfs/dbraw/zinc/14/86/83/1197148683.db2.gz SWAQEKUZXJBMGP-ZDUSSCGKSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)c1[O-] ZINC001665533814 1197148685 /nfs/dbraw/zinc/14/86/85/1197148685.db2.gz SWAQEKUZXJBMGP-ZDUSSCGKSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC(C)(C)CC[C@H]2CO)c1[O-] ZINC001665533814 1197148688 /nfs/dbraw/zinc/14/86/88/1197148688.db2.gz SWAQEKUZXJBMGP-ZDUSSCGKSA-N 0 3 313.825 3.037 20 10 DGCDHN CCCC[C@H](CC)COC[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000318300617 1199829960 /nfs/dbraw/zinc/82/99/60/1199829960.db2.gz NOUPBPAQTZNHIC-DOTOQJQBSA-N 0 3 309.450 3.076 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC001169733729 1081646073 /nfs/dbraw/zinc/64/60/73/1081646073.db2.gz WXVWPFNUKNLYAD-RDJZCZTQSA-N 0 3 324.424 3.348 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCN1C1CCCCCC1 ZINC001183379862 1083941313 /nfs/dbraw/zinc/94/13/13/1083941313.db2.gz URDXGXZJFQKZPM-QGZVFWFLSA-N 0 3 306.425 3.418 20 10 DGCDHN COC(=O)[C@H](C[NH2+]Cc1ccc(C)cc1[O-])C1CCCCC1 ZINC001183741958 1084019388 /nfs/dbraw/zinc/01/93/88/1084019388.db2.gz XODNUILGKCSHDO-MRXNPFEDSA-N 0 3 305.418 3.160 20 10 DGCDHN CCN(Cc1ccccc1O)c1cc(Cl)nc2c1CCNC2 ZINC001154888995 1088811224 /nfs/dbraw/zinc/81/12/24/1088811224.db2.gz NVUDJKDOQVWVTO-UHFFFAOYSA-N 0 3 317.820 3.113 20 10 DGCDHN Cc1c[nH+]c(NCc2cc(Cl)c3cccnc3c2[O-])cc1N ZINC001157726116 1090088380 /nfs/dbraw/zinc/08/83/80/1090088380.db2.gz FFUPGFAAEHIPSJ-UHFFFAOYSA-N 0 3 314.776 3.492 20 10 DGCDHN C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccccc1[O-] ZINC001203547229 1090752926 /nfs/dbraw/zinc/75/29/26/1090752926.db2.gz JFGKBPKMAAGKMR-UHFFFAOYSA-N 0 3 310.319 3.481 20 10 DGCDHN C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccccc1[O-] ZINC001203547229 1090752930 /nfs/dbraw/zinc/75/29/30/1090752930.db2.gz JFGKBPKMAAGKMR-UHFFFAOYSA-N 0 3 310.319 3.481 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001203556376 1090754170 /nfs/dbraw/zinc/75/41/70/1090754170.db2.gz ODFVTGJGUSVJHD-AWEZNQCLSA-N 0 3 305.324 3.324 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001203556376 1090754175 /nfs/dbraw/zinc/75/41/75/1090754175.db2.gz ODFVTGJGUSVJHD-AWEZNQCLSA-N 0 3 305.324 3.324 20 10 DGCDHN O=C1Nc2ccccc2C2(CC[NH+](Cc3ccccc3[O-])CC2)N1 ZINC001203555993 1090754308 /nfs/dbraw/zinc/75/43/08/1090754308.db2.gz IGOPOGLJNQCBQW-UHFFFAOYSA-N 0 3 323.396 3.019 20 10 DGCDHN COc1ccc(N2CC[NH+](Cc3ccccc3[O-])CC2)c(C)c1 ZINC001203560500 1090756745 /nfs/dbraw/zinc/75/67/45/1090756745.db2.gz BFVOECLGDVUSQK-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC001203581201 1090761758 /nfs/dbraw/zinc/76/17/58/1090761758.db2.gz JQVAMGOWZCTPPZ-SRAGMPOQSA-N 0 3 322.452 3.406 20 10 DGCDHN CCOc1cccc(CN(C)CCC(=O)c2ccccc2)c1O ZINC001203609521 1090766394 /nfs/dbraw/zinc/76/63/94/1090766394.db2.gz WTQZQVCEEILQFA-UHFFFAOYSA-N 0 3 313.397 3.496 20 10 DGCDHN COc1ccc(CN2CC[C@@H]2COCc2ccccc2)c(O)c1 ZINC001203627915 1090768993 /nfs/dbraw/zinc/76/89/93/1090768993.db2.gz RTYIUALGGOIMFI-QGZVFWFLSA-N 0 3 313.397 3.192 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c([O-])c1 ZINC001203627915 1090768998 /nfs/dbraw/zinc/76/89/98/1090768998.db2.gz RTYIUALGGOIMFI-QGZVFWFLSA-N 0 3 313.397 3.192 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)c([O-])c1 ZINC001203627915 1090769003 /nfs/dbraw/zinc/76/90/03/1090769003.db2.gz RTYIUALGGOIMFI-QGZVFWFLSA-N 0 3 313.397 3.192 20 10 DGCDHN CN(C)c1ccc(CN2CCN(C3CC3)CC2)c2ccccc21 ZINC001204232376 1090928909 /nfs/dbraw/zinc/92/89/09/1090928909.db2.gz BQFSJOLKGXSMBT-UHFFFAOYSA-N 0 3 309.457 3.186 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001204275851 1090938179 /nfs/dbraw/zinc/93/81/79/1090938179.db2.gz ZSKCAHUHTAOPTE-UHFFFAOYSA-N 0 3 311.381 3.119 20 10 DGCDHN Oc1ccc(CN2CCSC[C@@H]2c2ccccc2)c(O)c1 ZINC001204279091 1090938916 /nfs/dbraw/zinc/93/89/16/1090938916.db2.gz QGDXWXCNTGPFOL-MRXNPFEDSA-N 0 3 301.411 3.388 20 10 DGCDHN CN1CCCc2cc(CN3CC(C)(C)OC(C)(C)C3)ccc21 ZINC001138358829 1091152215 /nfs/dbraw/zinc/15/22/15/1091152215.db2.gz CITCHXVNRRQNMZ-UHFFFAOYSA-N 0 3 302.462 3.458 20 10 DGCDHN COc1cc(C)c(CN2CCc3cccc(O)c3C2)cc1OC ZINC001138439389 1091186021 /nfs/dbraw/zinc/18/60/21/1091186021.db2.gz IYKPJUTWJPYCTB-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCc3cccc([O-])c3C2)cc1OC ZINC001138439389 1091186028 /nfs/dbraw/zinc/18/60/28/1091186028.db2.gz IYKPJUTWJPYCTB-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCc3cccc([O-])c3C2)cc1OC ZINC001138439389 1091186033 /nfs/dbraw/zinc/18/60/33/1091186033.db2.gz IYKPJUTWJPYCTB-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001205912747 1091406958 /nfs/dbraw/zinc/40/69/58/1091406958.db2.gz BYDKIBXPMFETHV-NXEZZACHSA-N 0 3 303.233 3.258 20 10 DGCDHN Cc1nc(C2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)no1 ZINC001139672711 1091637304 /nfs/dbraw/zinc/63/73/04/1091637304.db2.gz CQFHAVDCCLVCCQ-UHFFFAOYSA-N 0 3 314.433 3.132 20 10 DGCDHN C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001206800503 1091745317 /nfs/dbraw/zinc/74/53/17/1091745317.db2.gz KTYMWBSRYNNLJV-LRDDRELGSA-N 0 3 312.404 3.223 20 10 DGCDHN COc1ccc(CC[N@H+](C)Cc2cc(F)ccc2[O-])cc1OC ZINC001140057863 1091751029 /nfs/dbraw/zinc/75/10/29/1091751029.db2.gz QMAIHOVNKCVJSB-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1ccc(CC[N@@H+](C)Cc2cc(F)ccc2[O-])cc1OC ZINC001140057863 1091751042 /nfs/dbraw/zinc/75/10/42/1091751042.db2.gz QMAIHOVNKCVJSB-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN C[C@H]1CC[C@H](C[NH3+])CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001206811505 1091751254 /nfs/dbraw/zinc/75/12/54/1091751254.db2.gz VQZOMMZBCGPADD-VHSXEESVSA-N 0 3 303.233 3.258 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001140055881 1091752040 /nfs/dbraw/zinc/75/20/40/1091752040.db2.gz ZCRBFORRLFBZIU-UHFFFAOYSA-N 0 3 319.351 3.154 20 10 DGCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc(F)ccc1O ZINC001140056388 1091752056 /nfs/dbraw/zinc/75/20/56/1091752056.db2.gz USWVKPLSTCLOEF-RISCZKNCSA-N 0 3 324.396 3.019 20 10 DGCDHN C[C@H]1CN(Cc2cc(F)ccc2[O-])CC[N@@H+]1C1CCCCC1 ZINC001140055975 1091752257 /nfs/dbraw/zinc/75/22/57/1091752257.db2.gz CACHHIBYFZSHMZ-AWEZNQCLSA-N 0 3 306.425 3.370 20 10 DGCDHN C[C@H]1CN(Cc2cc(F)ccc2[O-])CC[N@H+]1C1CCCCC1 ZINC001140055975 1091752263 /nfs/dbraw/zinc/75/22/63/1091752263.db2.gz CACHHIBYFZSHMZ-AWEZNQCLSA-N 0 3 306.425 3.370 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(c3nccc4occc43)CC2)c1 ZINC001140620894 1091934431 /nfs/dbraw/zinc/93/44/31/1091934431.db2.gz FRQHECMNMQFSTG-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN Cc1ccc(O)c(CN2CC3(CN(Cc4ccccc4)C3)C2)c1 ZINC001140622972 1091935498 /nfs/dbraw/zinc/93/54/98/1091935498.db2.gz JHPVFQQHTPJFPK-UHFFFAOYSA-N 0 3 308.425 3.018 20 10 DGCDHN CCN(CC)c1ccc(CN2CC3(C2)C[C@@H](F)CS3)c(O)c1 ZINC001140855737 1092030209 /nfs/dbraw/zinc/03/02/09/1092030209.db2.gz JHBRMDXLCYPAJV-CQSZACIVSA-N 0 3 324.465 3.268 20 10 DGCDHN CN(C)c1ccc(CN2C[C@H]3[C@H](CC3(F)F)C2)c(Cl)c1 ZINC001140922203 1092063838 /nfs/dbraw/zinc/06/38/38/1092063838.db2.gz KJEQHZQVGLOZQL-YPMHNXCESA-N 0 3 300.780 3.493 20 10 DGCDHN COC(=O)CC[C@@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926015 1092064619 /nfs/dbraw/zinc/06/46/19/1092064619.db2.gz XMWSNINMBQOZME-CYBMUJFWSA-N 0 3 324.852 3.181 20 10 DGCDHN CN(C)c1ccc(CN2CCC3(CCC(=O)O3)CC2)c(Cl)c1 ZINC001140924411 1092064901 /nfs/dbraw/zinc/06/49/01/1092064901.db2.gz JARDZKCMVKMHIA-UHFFFAOYSA-N 0 3 322.836 3.078 20 10 DGCDHN CN(C)c1ccc(CN2CCN3CCCC[C@@H]3C2)c(Cl)c1 ZINC001140923453 1092064920 /nfs/dbraw/zinc/06/49/20/1092064920.db2.gz BAKOWRBAMVQNCF-MRXNPFEDSA-N 0 3 307.869 3.076 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC001140953869 1092079561 /nfs/dbraw/zinc/07/95/61/1092079561.db2.gz ICFYVMDOFGSPRP-LSDHHAIUSA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC001140953869 1092079567 /nfs/dbraw/zinc/07/95/67/1092079567.db2.gz ICFYVMDOFGSPRP-LSDHHAIUSA-N 0 3 305.418 3.112 20 10 DGCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001168819984 1092396730 /nfs/dbraw/zinc/39/67/30/1092396730.db2.gz XABWROMBTCSVEX-HZSPNIEDSA-N 0 3 320.433 3.441 20 10 DGCDHN COc1ccc(N2CCN(CCCC(C)C)CC2)c(OC)c1 ZINC001208737481 1092483538 /nfs/dbraw/zinc/48/35/38/1092483538.db2.gz MPFRWBPKJZOQNP-UHFFFAOYSA-N 0 3 306.450 3.262 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cccn2ccnc12 ZINC001142960449 1092593904 /nfs/dbraw/zinc/59/39/04/1092593904.db2.gz ONSOOBPANLPCPU-UHFFFAOYSA-N 0 3 308.429 3.422 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001208999786 1092620224 /nfs/dbraw/zinc/62/02/24/1092620224.db2.gz SIYFIMFCAUKUDL-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001208999786 1092620226 /nfs/dbraw/zinc/62/02/26/1092620226.db2.gz SIYFIMFCAUKUDL-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN CC[C@@H](C[N@@H+]1CCc2cccc([O-])c2C1)NC(=O)OC(C)(C)C ZINC001209459886 1092783724 /nfs/dbraw/zinc/78/37/24/1092783724.db2.gz CNMPIWJYSIALMT-AWEZNQCLSA-N 0 3 320.433 3.054 20 10 DGCDHN CC[C@@H](C[N@H+]1CCc2cccc([O-])c2C1)NC(=O)OC(C)(C)C ZINC001209459886 1092783733 /nfs/dbraw/zinc/78/37/33/1092783733.db2.gz CNMPIWJYSIALMT-AWEZNQCLSA-N 0 3 320.433 3.054 20 10 DGCDHN O=C(c1cccc2c1CCNC2)N1CCc2cc(Cl)ccc21 ZINC001122370074 1094961022 /nfs/dbraw/zinc/96/10/22/1094961022.db2.gz RHYJYCQOCDCVEU-UHFFFAOYSA-N 0 3 312.800 3.189 20 10 DGCDHN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(C)C ZINC001626161042 1095389758 /nfs/dbraw/zinc/38/97/58/1095389758.db2.gz UZKKCDLDFGKXSJ-KRWDZBQOSA-N 0 3 318.461 3.394 20 10 DGCDHN [O-]c1c(CN2CCC[C@]3(CC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222287530 1095532372 /nfs/dbraw/zinc/53/23/72/1095532372.db2.gz LOYMAFGELTUPPM-FQEVSTJZSA-N 0 3 308.425 3.387 20 10 DGCDHN CC[C@H](NCc1ccc(N2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC001116425119 1095544526 /nfs/dbraw/zinc/54/45/26/1095544526.db2.gz TYNGBRSIEAQIFB-GJZGRUSLSA-N 0 3 316.367 3.078 20 10 DGCDHN c1cc(N2CCCC2)ccc1CN1CCCC[C@@H]1C1OCCO1 ZINC001116444525 1095557663 /nfs/dbraw/zinc/55/76/63/1095557663.db2.gz XECYEQDNHBPCDP-GOSISDBHSA-N 0 3 316.445 3.014 20 10 DGCDHN COc1cc([O-])c(CN2CCC[C@@]3(CCCC[NH2+]3)C2)cc1Cl ZINC001222397051 1095592779 /nfs/dbraw/zinc/59/27/79/1095592779.db2.gz ZDDYQYCCDRTCKF-KRWDZBQOSA-N 0 3 324.852 3.162 20 10 DGCDHN COc1cc([O-])c(CN2CCC[C@]3(CCCC[NH2+]3)C2)cc1Cl ZINC001222397052 1095593042 /nfs/dbraw/zinc/59/30/42/1095593042.db2.gz ZDDYQYCCDRTCKF-QGZVFWFLSA-N 0 3 324.852 3.162 20 10 DGCDHN COc1ccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)cc1 ZINC001144705844 1095772404 /nfs/dbraw/zinc/77/24/04/1095772404.db2.gz UVFVUEJFFDDLEG-UHFFFAOYSA-N 0 3 321.424 3.499 20 10 DGCDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ncccc1N(C)C ZINC001117633510 1095787472 /nfs/dbraw/zinc/78/74/72/1095787472.db2.gz RZXKSKVKHVRSDY-ZIAGYGMSSA-N 0 3 311.429 3.500 20 10 DGCDHN CC[C@@H](C)OCC[C@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC001172334448 1097116847 /nfs/dbraw/zinc/11/68/47/1097116847.db2.gz CNWFXQNVTHXDCC-DLBZAZTESA-N 0 3 320.477 3.411 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1[O-] ZINC001172670867 1097211687 /nfs/dbraw/zinc/21/16/87/1097211687.db2.gz KCUYAPZBALOKGM-RDJZCZTQSA-N 0 3 324.424 3.234 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1COc2cccc(OC)c2C1 ZINC001173165949 1097342234 /nfs/dbraw/zinc/34/22/34/1097342234.db2.gz QABWYOZJDDASCF-HNNXBMFYSA-N 0 3 313.397 3.226 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1COc2cccc(OC)c2C1 ZINC001173165949 1097342237 /nfs/dbraw/zinc/34/22/37/1097342237.db2.gz QABWYOZJDDASCF-HNNXBMFYSA-N 0 3 313.397 3.226 20 10 DGCDHN CCN(Cc1cccc(F)c1)Cc1cc(OC)c(O)cc1O ZINC001231637127 1097797122 /nfs/dbraw/zinc/79/71/22/1097797122.db2.gz FIJQCXVUZFLVIP-UHFFFAOYSA-N 0 3 305.349 3.268 20 10 DGCDHN Cc1cnc(N2CCN(Cc3c(C)cc(C)cc3O)CC2)s1 ZINC001231847358 1097861803 /nfs/dbraw/zinc/86/18/03/1097861803.db2.gz XTUBKEQGCMWBAW-UHFFFAOYSA-N 0 3 317.458 3.096 20 10 DGCDHN COc1cc(N(C)C)ccc1CN1CCC2(CCCOC2)CC1 ZINC001231857933 1097866593 /nfs/dbraw/zinc/86/65/93/1097866593.db2.gz PAKOSWFOOLTUPQ-UHFFFAOYSA-N 0 3 318.461 3.154 20 10 DGCDHN COc1cc(N(C)C)ccc1CN1CCc2cccc(O)c2C1 ZINC001231855429 1097867283 /nfs/dbraw/zinc/86/72/83/1097867283.db2.gz TZUVMUNZXAUIBF-UHFFFAOYSA-N 0 3 312.413 3.025 20 10 DGCDHN CCC[NH+]1C[C@H]2CN(Cc3cc(Cl)c(C)cc3[O-])C[C@@H]2C1 ZINC001231871459 1097872212 /nfs/dbraw/zinc/87/22/12/1097872212.db2.gz KZRQACDBZZZWCE-GJZGRUSLSA-N 0 3 308.853 3.128 20 10 DGCDHN COC(=O)c1c(CN2CCC3(CCC3)C2)c2ccccc2n1C ZINC001232405031 1098030018 /nfs/dbraw/zinc/03/00/18/1098030018.db2.gz DRPTXTIUIIKNDA-UHFFFAOYSA-N 0 3 312.413 3.341 20 10 DGCDHN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)c1ccccc1[O-] ZINC001175419194 1098040373 /nfs/dbraw/zinc/04/03/73/1098040373.db2.gz SOHYNNHOCPIRRL-GFCCVEGCSA-N 0 3 302.349 3.211 20 10 DGCDHN CCOC(=O)c1c(CN2CCC3(CC3)C2)c2ccccc2n1C ZINC001233271394 1098269854 /nfs/dbraw/zinc/26/98/54/1098269854.db2.gz XSMDSTKGMUOOCO-UHFFFAOYSA-N 0 3 312.413 3.341 20 10 DGCDHN CO[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233760867 1098425076 /nfs/dbraw/zinc/42/50/76/1098425076.db2.gz MLCRCOVXDXBCJP-LBPRGKRZSA-N 0 3 319.323 3.292 20 10 DGCDHN CO[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233760867 1098425078 /nfs/dbraw/zinc/42/50/78/1098425078.db2.gz MLCRCOVXDXBCJP-LBPRGKRZSA-N 0 3 319.323 3.292 20 10 DGCDHN CC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761248 1098425510 /nfs/dbraw/zinc/42/55/10/1098425510.db2.gz QQCZEIWYUGSPSY-LLVKDONJSA-N 0 3 317.307 3.092 20 10 DGCDHN CC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761248 1098425516 /nfs/dbraw/zinc/42/55/16/1098425516.db2.gz QQCZEIWYUGSPSY-LLVKDONJSA-N 0 3 317.307 3.092 20 10 DGCDHN O=c1[nH]cc(C[N@@H+]2CCc3cccc([O-])c3C2)c2ccccc12 ZINC001234008483 1098476024 /nfs/dbraw/zinc/47/60/24/1098476024.db2.gz YSDJRSDNWTZOPP-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN O=c1[nH]cc(C[N@H+]2CCc3cccc([O-])c3C2)c2ccccc12 ZINC001234008483 1098476027 /nfs/dbraw/zinc/47/60/27/1098476027.db2.gz YSDJRSDNWTZOPP-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN CCC[N@H+](CCOC)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234519182 1098577567 /nfs/dbraw/zinc/57/75/67/1098577567.db2.gz RRKUHTNSYFTZKL-UHFFFAOYSA-N 0 3 303.402 3.412 20 10 DGCDHN CCC[N@@H+](CCOC)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234519182 1098577573 /nfs/dbraw/zinc/57/75/73/1098577573.db2.gz RRKUHTNSYFTZKL-UHFFFAOYSA-N 0 3 303.402 3.412 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@@](C)(O)C3)c2c1 ZINC001234526460 1098580157 /nfs/dbraw/zinc/58/01/57/1098580157.db2.gz WALJYEVQKHSIJC-LJQANCHMSA-N 0 3 315.413 3.291 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@@](C)(O)C3)c2c1 ZINC001234526460 1098580158 /nfs/dbraw/zinc/58/01/58/1098580158.db2.gz WALJYEVQKHSIJC-LJQANCHMSA-N 0 3 315.413 3.291 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H]3CCc4cccnc43)cc2)CC1 ZINC001234658168 1098634643 /nfs/dbraw/zinc/63/46/43/1098634643.db2.gz WEAKVXMHFGJCIE-LJQANCHMSA-N 0 3 323.440 3.290 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H](C)C3CCOCC3)cc2)CC1 ZINC001234658126 1098634834 /nfs/dbraw/zinc/63/48/34/1098634834.db2.gz VATPLGQRAWOXKC-INIZCTEOSA-N 0 3 318.461 3.022 20 10 DGCDHN CCN1CCN(c2ccc(OC3Cc4ccccc4C3)cc2)CC1 ZINC001234658022 1098635131 /nfs/dbraw/zinc/63/51/31/1098635131.db2.gz QYBIEANOPFXATQ-UHFFFAOYSA-N 0 3 322.452 3.375 20 10 DGCDHN [O-]c1c(C[N@@H+]2CCC3(C2)OCCO3)cccc1-c1ccccc1 ZINC001234995271 1098739141 /nfs/dbraw/zinc/73/91/41/1098739141.db2.gz KJXAATSLEGPNRR-UHFFFAOYSA-N 0 3 311.381 3.008 20 10 DGCDHN [O-]c1c(C[N@H+]2CCC3(C2)OCCO3)cccc1-c1ccccc1 ZINC001234995271 1098739150 /nfs/dbraw/zinc/73/91/50/1098739150.db2.gz KJXAATSLEGPNRR-UHFFFAOYSA-N 0 3 311.381 3.008 20 10 DGCDHN CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2ccccc2)c1[O-] ZINC001235001556 1098745980 /nfs/dbraw/zinc/74/59/80/1098745980.db2.gz VJLJWNDKUJEFQH-ROUUACIJSA-N 0 3 308.425 3.338 20 10 DGCDHN CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2ccccc2)c1[O-] ZINC001235001556 1098745989 /nfs/dbraw/zinc/74/59/89/1098745989.db2.gz VJLJWNDKUJEFQH-ROUUACIJSA-N 0 3 308.425 3.338 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CCCC23C[NH2+]C3)cc1Cl ZINC001235103098 1098803901 /nfs/dbraw/zinc/80/39/01/1098803901.db2.gz RPWBAAQDEDUBBS-UHFFFAOYSA-N 0 3 308.853 3.281 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(-c3ccccn3)n[nH]2)c1 ZINC001179049145 1099000095 /nfs/dbraw/zinc/00/00/95/1099000095.db2.gz DVDRTBCIGFZLQB-GFCCVEGCSA-N 0 3 324.384 3.037 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c([O-])c1 ZINC001235676922 1099120724 /nfs/dbraw/zinc/12/07/24/1099120724.db2.gz XIQUUOSYXZWGBY-GOSISDBHSA-N 0 3 309.425 3.376 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@](O)(CF)C2)c([O-])c1 ZINC001235676922 1099120728 /nfs/dbraw/zinc/12/07/28/1099120728.db2.gz XIQUUOSYXZWGBY-GOSISDBHSA-N 0 3 309.425 3.376 20 10 DGCDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678732 1099121933 /nfs/dbraw/zinc/12/19/33/1099121933.db2.gz MDAQZHPDKAOVOY-CQSZACIVSA-N 0 3 319.445 3.465 20 10 DGCDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678732 1099121936 /nfs/dbraw/zinc/12/19/36/1099121936.db2.gz MDAQZHPDKAOVOY-CQSZACIVSA-N 0 3 319.445 3.465 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001235678712 1099121965 /nfs/dbraw/zinc/12/19/65/1099121965.db2.gz MBIUCAPWGYNOIU-IBGZPJMESA-N 0 3 317.429 3.361 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001235678712 1099121971 /nfs/dbraw/zinc/12/19/71/1099121971.db2.gz MBIUCAPWGYNOIU-IBGZPJMESA-N 0 3 317.429 3.361 20 10 DGCDHN CC(C)C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CC[NH2+]1 ZINC001235882785 1099231886 /nfs/dbraw/zinc/23/18/86/1099231886.db2.gz ZTKUYKILKWFFOZ-AWEZNQCLSA-N 0 3 316.367 3.231 20 10 DGCDHN CN(Cc1cc(Cl)c(Cl)cc1[O-])[C@H]1CCCC[C@H]1[NH3+] ZINC001236215021 1099472310 /nfs/dbraw/zinc/47/23/10/1099472310.db2.gz GZMPWERFYQSJSR-OLZOCXBDSA-N 0 3 303.233 3.401 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001204279116 1099499146 /nfs/dbraw/zinc/49/91/46/1099499146.db2.gz RAHGYUAXHXIZCR-MRXNPFEDSA-N 0 3 316.426 3.250 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001204279116 1099499153 /nfs/dbraw/zinc/49/91/53/1099499153.db2.gz RAHGYUAXHXIZCR-MRXNPFEDSA-N 0 3 316.426 3.250 20 10 DGCDHN [NH3+]CCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001236524516 1099660699 /nfs/dbraw/zinc/66/06/99/1099660699.db2.gz VUZSMBGAJDEDLF-UHFFFAOYSA-N 0 3 324.346 3.372 20 10 DGCDHN CCOc1ncc(CN(CC)Cc2ccccc2O)cc1F ZINC001236702478 1099748398 /nfs/dbraw/zinc/74/83/98/1099748398.db2.gz UJEDDBRMQMGFMV-UHFFFAOYSA-N 0 3 304.365 3.347 20 10 DGCDHN CCc1ccc(CN2CCN(c3cccc(F)c3)CC2)c(O)c1 ZINC001236786404 1099782817 /nfs/dbraw/zinc/78/28/17/1099782817.db2.gz BQCBYOSCNAOLEU-UHFFFAOYSA-N 0 3 314.404 3.416 20 10 DGCDHN CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(CC)cc3[O-])C2)n1 ZINC001236792275 1099787813 /nfs/dbraw/zinc/78/78/13/1099787813.db2.gz NISFIZRZFHYIGA-OAHLLOKOSA-N 0 3 315.417 3.280 20 10 DGCDHN CCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(CC)cc3[O-])C2)n1 ZINC001236792275 1099787819 /nfs/dbraw/zinc/78/78/19/1099787819.db2.gz NISFIZRZFHYIGA-OAHLLOKOSA-N 0 3 315.417 3.280 20 10 DGCDHN CCOC(=O)N1CCC([N@H+](C)Cc2ccc(CC)cc2[O-])CC1 ZINC001236794764 1099790319 /nfs/dbraw/zinc/79/03/19/1099790319.db2.gz OGJVUUKFAGCKPA-UHFFFAOYSA-N 0 3 320.433 3.007 20 10 DGCDHN CCOC(=O)N1CCC([N@@H+](C)Cc2ccc(CC)cc2[O-])CC1 ZINC001236794764 1099790333 /nfs/dbraw/zinc/79/03/33/1099790333.db2.gz OGJVUUKFAGCKPA-UHFFFAOYSA-N 0 3 320.433 3.007 20 10 DGCDHN COc1cc(C)c(CN(C)Cc2ccccc2OC)c(O)c1 ZINC001236812335 1099802944 /nfs/dbraw/zinc/80/29/44/1099802944.db2.gz CIPMLOHVFVVCOZ-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC(n3nccc3C)CC2)c([O-])c1 ZINC001236816217 1099803114 /nfs/dbraw/zinc/80/31/14/1099803114.db2.gz QZDZPZMLXKIKRA-UHFFFAOYSA-N 0 3 315.417 3.051 20 10 DGCDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830561 1099815658 /nfs/dbraw/zinc/81/56/58/1099815658.db2.gz BNNQJBNSVMLGJZ-LJQANCHMSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830561 1099815672 /nfs/dbraw/zinc/81/56/72/1099815672.db2.gz BNNQJBNSVMLGJZ-LJQANCHMSA-N 0 3 313.397 3.321 20 10 DGCDHN CCCCN(CCCC)c1ccc(CN2CCNC2)c(O)c1 ZINC001236851520 1099834520 /nfs/dbraw/zinc/83/45/20/1099834520.db2.gz UHEGISVGOWMLCS-UHFFFAOYSA-N 0 3 305.466 3.162 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001237062473 1099953072 /nfs/dbraw/zinc/95/30/72/1099953072.db2.gz PAWROCBBQSPFRL-GXFFZTMASA-N 0 3 301.308 3.318 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001237062473 1099953081 /nfs/dbraw/zinc/95/30/81/1099953081.db2.gz PAWROCBBQSPFRL-GXFFZTMASA-N 0 3 301.308 3.318 20 10 DGCDHN CO[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237139424 1099989150 /nfs/dbraw/zinc/98/91/50/1099989150.db2.gz FFBKKLHMRCYOEX-CYBMUJFWSA-N 0 3 303.324 3.412 20 10 DGCDHN CO[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237139424 1099989161 /nfs/dbraw/zinc/98/91/61/1099989161.db2.gz FFBKKLHMRCYOEX-CYBMUJFWSA-N 0 3 303.324 3.412 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001237489867 1100141370 /nfs/dbraw/zinc/14/13/70/1100141370.db2.gz LSAYQPKIBNLZIJ-MRXNPFEDSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001237489867 1100141373 /nfs/dbraw/zinc/14/13/73/1100141373.db2.gz LSAYQPKIBNLZIJ-MRXNPFEDSA-N 0 3 301.361 3.493 20 10 DGCDHN CCCc1noc([C@@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237488372 1100141389 /nfs/dbraw/zinc/14/13/89/1100141389.db2.gz VIAADYRJLIXLSE-CQSZACIVSA-N 0 3 315.417 3.416 20 10 DGCDHN CCCc1noc([C@@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237488372 1100141393 /nfs/dbraw/zinc/14/13/93/1100141393.db2.gz VIAADYRJLIXLSE-CQSZACIVSA-N 0 3 315.417 3.416 20 10 DGCDHN COc1ccccc1O[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237490502 1100141480 /nfs/dbraw/zinc/14/14/80/1100141480.db2.gz VJSGOMQLWKNYRI-HNNXBMFYSA-N 0 3 313.397 3.363 20 10 DGCDHN COc1ccccc1O[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237490502 1100141482 /nfs/dbraw/zinc/14/14/82/1100141482.db2.gz VJSGOMQLWKNYRI-HNNXBMFYSA-N 0 3 313.397 3.363 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH+]1CC2(CC(O)C2)C1 ZINC001237640706 1100199985 /nfs/dbraw/zinc/19/99/85/1100199985.db2.gz FFEYKHLXLWLBBH-UHFFFAOYSA-N 0 3 313.372 3.155 20 10 DGCDHN COC(C[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1[O-])OC ZINC001237646582 1100202431 /nfs/dbraw/zinc/20/24/31/1100202431.db2.gz PPYXLPMKFMKHCL-UHFFFAOYSA-N 0 3 319.376 3.249 20 10 DGCDHN COC(C[N@@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1[O-])OC ZINC001237646582 1100202437 /nfs/dbraw/zinc/20/24/37/1100202437.db2.gz PPYXLPMKFMKHCL-UHFFFAOYSA-N 0 3 319.376 3.249 20 10 DGCDHN Oc1cc(Cl)c(F)cc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237950601 1100302276 /nfs/dbraw/zinc/30/22/76/1100302276.db2.gz XJBZWVUSTHSJSP-ZDUSSCGKSA-N 0 3 321.726 3.185 20 10 DGCDHN Cc1cc(F)cc(CN2CCC(Oc3cccnc3)CC2)c1O ZINC001238063516 1100347804 /nfs/dbraw/zinc/34/78/04/1100347804.db2.gz XQTXKXDMJDKGCK-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)c1ccccc1[O-] ZINC001197004715 1101454096 /nfs/dbraw/zinc/45/40/96/1101454096.db2.gz VBBPRCSMGRMUIS-MNOVXSKESA-N 0 3 320.339 3.348 20 10 DGCDHN C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC2(CCC2)O1 ZINC001328505354 1103971376 /nfs/dbraw/zinc/97/13/76/1103971376.db2.gz ZNVLIUQNLXTXNK-MRXNPFEDSA-N 0 3 300.446 3.430 20 10 DGCDHN [O-]c1ccc(F)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001275913217 1104953482 /nfs/dbraw/zinc/95/34/82/1104953482.db2.gz KVCZSADFVMHASD-CALCHBBNSA-N 0 3 304.409 3.123 20 10 DGCDHN [O-]c1ccc(F)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001275913217 1104953488 /nfs/dbraw/zinc/95/34/88/1104953488.db2.gz KVCZSADFVMHASD-CALCHBBNSA-N 0 3 304.409 3.123 20 10 DGCDHN Cc1cc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)ccc1F ZINC001249338786 1105270363 /nfs/dbraw/zinc/27/03/63/1105270363.db2.gz BXOUXUIQOYEXKB-CQSZACIVSA-N 0 3 313.332 3.132 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@H+](CC)C(C)C)c([O-])c1 ZINC001249724683 1105366307 /nfs/dbraw/zinc/36/63/07/1105366307.db2.gz JHOYIFOPRNYFBQ-UHFFFAOYSA-N 0 3 323.433 3.345 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@@H+](CC)C(C)C)c([O-])c1 ZINC001249724683 1105366314 /nfs/dbraw/zinc/36/63/14/1105366314.db2.gz JHOYIFOPRNYFBQ-UHFFFAOYSA-N 0 3 323.433 3.345 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(C)n1 ZINC001249913981 1105406821 /nfs/dbraw/zinc/40/68/21/1105406821.db2.gz KBLMWNZLXCMYEL-UHFFFAOYSA-N 0 3 313.445 3.487 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@H]1Cc2ccc(Br)cc2C1 ZINC001254265758 1106046074 /nfs/dbraw/zinc/04/60/74/1106046074.db2.gz ZLTINWQEVQBZLG-HNNXBMFYSA-N 0 3 318.214 3.412 20 10 DGCDHN C[C@@H](NCc1cc(OCC(F)F)ccn1)c1ccccc1O ZINC001320137666 1106894831 /nfs/dbraw/zinc/89/48/31/1106894831.db2.gz YGHXFWGVKQUKLE-LLVKDONJSA-N 0 3 308.328 3.282 20 10 DGCDHN Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])n1 ZINC001320161982 1106909982 /nfs/dbraw/zinc/90/99/82/1106909982.db2.gz UVJUBZZVALQOAB-INIZCTEOSA-N 0 3 315.392 3.311 20 10 DGCDHN Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])n1 ZINC001320161982 1106909998 /nfs/dbraw/zinc/90/99/98/1106909998.db2.gz UVJUBZZVALQOAB-INIZCTEOSA-N 0 3 315.392 3.311 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCc2c(C)c(C)n[nH]c2=O)cc1 ZINC001320577785 1107060357 /nfs/dbraw/zinc/06/03/57/1107060357.db2.gz QGIDPNFJCMCJNW-CQSZACIVSA-N 0 3 314.433 3.106 20 10 DGCDHN CCCN1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001321386460 1107338381 /nfs/dbraw/zinc/33/83/81/1107338381.db2.gz DYJWLKSEKAMYDH-CRAIPNDOSA-N 0 3 317.477 3.194 20 10 DGCDHN CO[C@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC001262053090 1107595959 /nfs/dbraw/zinc/59/59/59/1107595959.db2.gz PLNAKBWNFYICDE-OAHLLOKOSA-N 0 3 315.335 3.034 20 10 DGCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1cccc(N(C)C)n1 ZINC001323830031 1108098361 /nfs/dbraw/zinc/09/83/61/1108098361.db2.gz PAWIVVOFIHGLMD-DZGCQCFKSA-N 0 3 311.429 3.500 20 10 DGCDHN COc1cc(C)c(C[NH2+]C2CCC(OC(F)F)CC2)c([O-])c1 ZINC001308770139 1111472534 /nfs/dbraw/zinc/47/25/34/1111472534.db2.gz QWGNGUFUTSBZSF-UHFFFAOYSA-N 0 3 315.360 3.349 20 10 DGCDHN COc1ccc(CNCc2cc(C(C)C)ccc2O)c(OC)n1 ZINC001308804026 1111477215 /nfs/dbraw/zinc/47/72/15/1111477215.db2.gz YKJGUYIBHQXUFB-UHFFFAOYSA-N 0 3 316.401 3.218 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCCO)c1[O-] ZINC000187294774 301070631 /nfs/dbraw/zinc/07/06/31/301070631.db2.gz YGYWWXQXXZPBTI-WDEREUQCSA-N 0 3 316.239 3.275 20 10 DGCDHN C[C@H](c1cccnc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000179196247 432050112 /nfs/dbraw/zinc/05/01/12/432050112.db2.gz NFTBQXSZZOLUBB-MRXNPFEDSA-N 0 3 311.429 3.111 20 10 DGCDHN COCCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974630 193134935 /nfs/dbraw/zinc/13/49/35/193134935.db2.gz JZIVATSIADSVJI-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN COCCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974630 193134936 /nfs/dbraw/zinc/13/49/36/193134936.db2.gz JZIVATSIADSVJI-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN CCNC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268716624 432125091 /nfs/dbraw/zinc/12/50/91/432125091.db2.gz IUYOVVOHGCPEIQ-CVEARBPZSA-N 0 3 317.477 3.242 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(N(C)C)nc2)cc1 ZINC000268742023 432129132 /nfs/dbraw/zinc/12/91/32/432129132.db2.gz DGDIIHNNSBBYHX-OAHLLOKOSA-N 0 3 312.461 3.455 20 10 DGCDHN COc1cccc(CN2CC=C(c3ccc(O)cc3)CC2)c1O ZINC000179804306 533474792 /nfs/dbraw/zinc/47/47/92/533474792.db2.gz DZYLZBZXEDQFKE-UHFFFAOYSA-N 0 3 311.381 3.396 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)c1 ZINC000272378540 130024127 /nfs/dbraw/zinc/02/41/27/130024127.db2.gz DGEGLXYOKCUWKB-XIKOKIGWSA-N 0 3 319.376 3.406 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000272421162 130029171 /nfs/dbraw/zinc/02/91/71/130029171.db2.gz LZCQUHNYOGHGAQ-WIUDPPPLSA-N 0 3 307.390 3.120 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000273343755 130109141 /nfs/dbraw/zinc/10/91/41/130109141.db2.gz AFIGOOHEDGDIKT-WDEREUQCSA-N 0 3 304.394 3.054 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c([O-])c1C ZINC000273411163 130118224 /nfs/dbraw/zinc/11/82/24/130118224.db2.gz PRAAEHSBJFXYMW-CVEARBPZSA-N 0 3 307.434 3.245 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c([O-])c1C ZINC000273425153 130120767 /nfs/dbraw/zinc/12/07/67/130120767.db2.gz TZHSJEQHBZFMME-CYBMUJFWSA-N 0 3 313.401 3.350 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1C ZINC000273481232 130126253 /nfs/dbraw/zinc/12/62/53/130126253.db2.gz MEDXDPZRCUYGGQ-UONOGXRCSA-N 0 3 304.434 3.059 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000273742790 130161118 /nfs/dbraw/zinc/16/11/18/130161118.db2.gz LZNNNLBFGIQPKJ-UONOGXRCSA-N 0 3 313.825 3.347 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000284927532 131123845 /nfs/dbraw/zinc/12/38/45/131123845.db2.gz GTQSVGNZBHWHMR-KBPBESRZSA-N 0 3 311.809 3.198 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000284927532 131123846 /nfs/dbraw/zinc/12/38/46/131123846.db2.gz GTQSVGNZBHWHMR-KBPBESRZSA-N 0 3 311.809 3.198 20 10 DGCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000285181965 131145643 /nfs/dbraw/zinc/14/56/43/131145643.db2.gz QDSTZSRRLPOLOO-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN COC(=O)Nc1cccc(CNCc2ccc(OC)c(C)c2)c1 ZINC000285437975 131168414 /nfs/dbraw/zinc/16/84/14/131168414.db2.gz IDAWNISWEJMUSC-UHFFFAOYSA-N 0 3 314.385 3.472 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCc2cccc(C)n2)c1 ZINC000287502880 131283088 /nfs/dbraw/zinc/28/30/88/131283088.db2.gz NUMKIVZCNRBOAC-AWEZNQCLSA-N 0 3 300.402 3.388 20 10 DGCDHN COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(OC)c1[O-])CC2 ZINC000289481583 131389468 /nfs/dbraw/zinc/38/94/68/131389468.db2.gz QOLYAUBGMNCEDF-INIZCTEOSA-N 0 3 313.397 3.057 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000295867356 131926119 /nfs/dbraw/zinc/92/61/19/131926119.db2.gz GYAXHPNXZIROKE-ZWKOTPCHSA-N 0 3 308.425 3.244 20 10 DGCDHN COc1ncc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1Cl ZINC000296589159 131974116 /nfs/dbraw/zinc/97/41/16/131974116.db2.gz UVXDOGPUKJOHIN-ZDUSSCGKSA-N 0 3 304.777 3.226 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cccc(N3CCOCC3)c1)CC2 ZINC000297368697 132012845 /nfs/dbraw/zinc/01/28/45/132012845.db2.gz QJMQHRDOXKCEFB-GOSISDBHSA-N 0 3 324.424 3.006 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([O-])c1 ZINC000092073229 400153916 /nfs/dbraw/zinc/15/39/16/400153916.db2.gz RTRUQOYYWKWMAO-OAHLLOKOSA-N 0 3 315.417 3.284 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([O-])c1 ZINC000092073229 400153919 /nfs/dbraw/zinc/15/39/19/400153919.db2.gz RTRUQOYYWKWMAO-OAHLLOKOSA-N 0 3 315.417 3.284 20 10 DGCDHN COc1ccc(N2CCCN(Cc3c(C)noc3C)CC2)cc1 ZINC000052466315 400733296 /nfs/dbraw/zinc/73/32/96/400733296.db2.gz ZAFFTSZBSXLMDH-UHFFFAOYSA-N 0 3 315.417 3.012 20 10 DGCDHN Cc1cccc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)n1 ZINC000164825135 228265257 /nfs/dbraw/zinc/26/52/57/228265257.db2.gz VRURDKLAPOYJPV-HNNXBMFYSA-N 0 3 312.369 3.161 20 10 DGCDHN COc1ccc([O-])c(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000271772669 274114838 /nfs/dbraw/zinc/11/48/38/274114838.db2.gz FOOPHSVIFGUZCU-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN CCCCOCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000119633037 431712653 /nfs/dbraw/zinc/71/26/53/431712653.db2.gz HXOIDFPEBHDZHM-OAHLLOKOSA-N 0 3 324.440 3.130 20 10 DGCDHN COc1ccc(N2CCCN(Cc3cccnc3C)CC2)cc1 ZINC000092380834 431909053 /nfs/dbraw/zinc/90/90/53/431909053.db2.gz OZFAXPNOTHPMKQ-UHFFFAOYSA-N 0 3 311.429 3.111 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1[O-] ZINC000183371503 432286780 /nfs/dbraw/zinc/28/67/80/432286780.db2.gz PBGGBFNWVPBAJG-GUYCJALGSA-N 0 3 302.393 3.485 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1[O-] ZINC000183427887 432293656 /nfs/dbraw/zinc/29/36/56/432293656.db2.gz FGGOPNFHKAEDTG-OAHLLOKOSA-N 0 3 311.429 3.102 20 10 DGCDHN C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000183527616 432300602 /nfs/dbraw/zinc/30/06/02/432300602.db2.gz MDGMQPHCMHGIEY-SWLSCSKDSA-N 0 3 320.433 3.346 20 10 DGCDHN C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000183515724 432300996 /nfs/dbraw/zinc/30/09/96/432300996.db2.gz CAGKSOVQFGEVSO-DZGCQCFKSA-N 0 3 310.397 3.128 20 10 DGCDHN CNC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271032877 432317678 /nfs/dbraw/zinc/31/76/78/432317678.db2.gz HXRJMQITDQQSAK-UHFFFAOYSA-N 0 3 324.424 3.017 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192037204 432327698 /nfs/dbraw/zinc/32/76/98/432327698.db2.gz RLBVFEHPXAFUIE-KXBFYZLASA-N 0 3 313.397 3.268 20 10 DGCDHN CC(C)N(Cc1ccc(CO)o1)Cc1ccc(N(C)C)cc1 ZINC000271094960 432328988 /nfs/dbraw/zinc/32/89/88/432328988.db2.gz YIGQKRXEGKRTOM-UHFFFAOYSA-N 0 3 302.418 3.249 20 10 DGCDHN Cc1nc(CCN(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000271173282 432343015 /nfs/dbraw/zinc/34/30/15/432343015.db2.gz MTMDPXRVZYNSMX-UHFFFAOYSA-N 0 3 314.433 3.043 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@@](C)(O)c2ccco2)cc1 ZINC000174529932 432353308 /nfs/dbraw/zinc/35/33/08/432353308.db2.gz DTTOPBWGCBYTGM-GOSISDBHSA-N 0 3 302.418 3.123 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271233940 432360170 /nfs/dbraw/zinc/36/01/70/432360170.db2.gz CWHZSMZKBOQJGL-ZWKOTPCHSA-N 0 3 314.429 3.434 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000174647676 432361179 /nfs/dbraw/zinc/36/11/79/432361179.db2.gz SCFWBFVPQZJVIY-UHFFFAOYSA-N 0 3 301.361 3.327 20 10 DGCDHN C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1[O-] ZINC000192916097 432428510 /nfs/dbraw/zinc/42/85/10/432428510.db2.gz TUFZVDSMJOJPJR-GOEBONIOSA-N 0 3 300.402 3.473 20 10 DGCDHN CNC(=O)CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000272093666 432444093 /nfs/dbraw/zinc/44/40/93/432444093.db2.gz YLUFUWXVFINDCW-OAHLLOKOSA-N 0 3 312.413 3.092 20 10 DGCDHN CNC(=O)CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000272093666 432444096 /nfs/dbraw/zinc/44/40/96/432444096.db2.gz YLUFUWXVFINDCW-OAHLLOKOSA-N 0 3 312.413 3.092 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@H](OCC(C)C)C2)c1O ZINC000184702860 432423672 /nfs/dbraw/zinc/42/36/72/432423672.db2.gz RGKADWCWVXHXCB-AWEZNQCLSA-N 0 3 313.825 3.301 20 10 DGCDHN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185155145 432471009 /nfs/dbraw/zinc/47/10/09/432471009.db2.gz OHRKERBNBXGFNW-KGLIPLIRSA-N 0 3 318.461 3.226 20 10 DGCDHN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185155196 432471780 /nfs/dbraw/zinc/47/17/80/432471780.db2.gz OHRKERBNBXGFNW-UONOGXRCSA-N 0 3 318.461 3.226 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000185291714 432487653 /nfs/dbraw/zinc/48/76/53/432487653.db2.gz GZCLXPIGDLUXTR-SNVBAGLBSA-N 0 3 320.330 3.209 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185442612 432500469 /nfs/dbraw/zinc/50/04/69/432500469.db2.gz YSYQAWHYVZFTNH-ZIAGYGMSSA-N 0 3 320.433 3.361 20 10 DGCDHN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185511632 432506592 /nfs/dbraw/zinc/50/65/92/432506592.db2.gz UCYNBXSPWZZTNT-NVGCLXPQSA-N 0 3 309.475 3.034 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cc2c(C)noc2C)c1 ZINC000185501397 432507314 /nfs/dbraw/zinc/50/73/14/432507314.db2.gz ZITCUFHQNZPQAT-MNOVXSKESA-N 0 3 304.390 3.287 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1OC ZINC000185077217 432463446 /nfs/dbraw/zinc/46/34/46/432463446.db2.gz ZVOQEJFLOTZCAQ-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCN2CCc3sccc3C2)c([O-])c1 ZINC000185105584 432466765 /nfs/dbraw/zinc/46/67/65/432466765.db2.gz ZEDMTVXXLVRQOR-AWEZNQCLSA-N 0 3 316.470 3.471 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](OC)c2ccccc2)c1 ZINC000185101856 432466790 /nfs/dbraw/zinc/46/67/90/432466790.db2.gz JBWVEXFXVSRCKB-UGSOOPFHSA-N 0 3 301.386 3.439 20 10 DGCDHN CC[C@@H]([NH2+]C1CCN(C(=O)CC(C)C)CC1)c1ccccc1[O-] ZINC000155418633 432554606 /nfs/dbraw/zinc/55/46/06/432554606.db2.gz KSXSBZFVHBZYSA-QGZVFWFLSA-N 0 3 318.461 3.470 20 10 DGCDHN CCN1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000263674599 432565203 /nfs/dbraw/zinc/56/52/03/432565203.db2.gz KSDMMNFNQWPBTP-MRXNPFEDSA-N 0 3 310.441 3.491 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000186136701 432562029 /nfs/dbraw/zinc/56/20/29/432562029.db2.gz YHTOZPGJOFFGBG-GRDNDAEWSA-N 0 3 307.459 3.406 20 10 DGCDHN COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185827270 432537073 /nfs/dbraw/zinc/53/70/73/432537073.db2.gz OAIAEYVYEDYWBO-YVEFUNNKSA-N 0 3 319.376 3.314 20 10 DGCDHN CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604902 432617887 /nfs/dbraw/zinc/61/78/87/432617887.db2.gz SZXDLRBZOVLKPJ-ZIAGYGMSSA-N 0 3 321.421 3.071 20 10 DGCDHN CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604902 432617890 /nfs/dbraw/zinc/61/78/90/432617890.db2.gz SZXDLRBZOVLKPJ-ZIAGYGMSSA-N 0 3 321.421 3.071 20 10 DGCDHN CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604902 432617894 /nfs/dbraw/zinc/61/78/94/432617894.db2.gz SZXDLRBZOVLKPJ-ZIAGYGMSSA-N 0 3 321.421 3.071 20 10 DGCDHN CCO[C@@H](C[NH2+]Cc1cc(OC)ccc1[O-])c1ccccc1 ZINC000195190224 432611406 /nfs/dbraw/zinc/61/14/06/432611406.db2.gz DEMSFAYXCPUBLT-SFHVURJKSA-N 0 3 301.386 3.268 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c([O-])c1 ZINC000186189986 432567062 /nfs/dbraw/zinc/56/70/62/432567062.db2.gz OEWXSSDMQOSDGD-ACJLOTCBSA-N 0 3 303.377 3.398 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186444362 432596167 /nfs/dbraw/zinc/59/61/67/432596167.db2.gz QLKHUOLCHHCVPA-FQEVSTJZSA-N 0 3 308.425 3.384 20 10 DGCDHN COc1cc([O-])c(C[NH2+]C2(Cc3ccccc3)CC2)cc1OC ZINC000187492853 432667766 /nfs/dbraw/zinc/66/77/66/432667766.db2.gz PESKZZOLMUSMCF-UHFFFAOYSA-N 0 3 313.397 3.274 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2(N(C)C)CCCC2)c1[O-] ZINC000228669955 432718385 /nfs/dbraw/zinc/71/83/85/432718385.db2.gz JLWLDABFRNMCKQ-UHFFFAOYSA-N 0 3 312.841 3.018 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCCS2)c1[O-] ZINC000228676042 432719671 /nfs/dbraw/zinc/71/96/71/432719671.db2.gz MSCDJJXGLVTLIZ-CQSZACIVSA-N 0 3 301.839 3.430 20 10 DGCDHN CC(C)C[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236647294 432753824 /nfs/dbraw/zinc/75/38/24/432753824.db2.gz LAXIVYJIZPOPMB-SFHVURJKSA-N 0 3 317.477 3.009 20 10 DGCDHN CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1[O-] ZINC000276205180 432782660 /nfs/dbraw/zinc/78/26/60/432782660.db2.gz JXQOARKHVGZSPH-NSHDSACASA-N 0 3 309.303 3.350 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCSc3ccccc31)OCO2 ZINC000238140508 432813146 /nfs/dbraw/zinc/81/31/46/432813146.db2.gz GUUVMUZUDIUGAI-ZDUSSCGKSA-N 0 3 315.394 3.448 20 10 DGCDHN Oc1cc2c(cc1CN[C@H]1CCSc3ccccc31)OCO2 ZINC000238140508 432813149 /nfs/dbraw/zinc/81/31/49/432813149.db2.gz GUUVMUZUDIUGAI-ZDUSSCGKSA-N 0 3 315.394 3.448 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)CC2 ZINC000296240651 432887562 /nfs/dbraw/zinc/88/75/62/432887562.db2.gz ATCKIEUGYGVTPQ-GDBMZVCRSA-N 0 3 303.789 3.356 20 10 DGCDHN Cc1cc(O)c(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1C ZINC000278308860 432890795 /nfs/dbraw/zinc/89/07/95/432890795.db2.gz DZCURHBOQYNGRC-WFASDCNBSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1C ZINC000278308860 432890796 /nfs/dbraw/zinc/89/07/96/432890796.db2.gz DZCURHBOQYNGRC-WFASDCNBSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1C ZINC000278308860 432890798 /nfs/dbraw/zinc/89/07/98/432890798.db2.gz DZCURHBOQYNGRC-WFASDCNBSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1noc(C[C@@H](NCc2cccc(C)c2O)c2ccccc2)n1 ZINC000277364523 432842314 /nfs/dbraw/zinc/84/23/14/432842314.db2.gz FJIOWXIWTGYQFB-QGZVFWFLSA-N 0 3 323.396 3.466 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOc1ccc(Cl)cn1)CC2 ZINC000296916198 432939043 /nfs/dbraw/zinc/93/90/43/432939043.db2.gz PMGUTPXHAYUIJV-CYBMUJFWSA-N 0 3 304.777 3.097 20 10 DGCDHN COC[C@H]([NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2)[C@@H]1CCCO1 ZINC000278838944 432906776 /nfs/dbraw/zinc/90/67/76/432906776.db2.gz PKECFUCEGVMFMS-FMEYXAORSA-N 0 3 319.445 3.116 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1[O-] ZINC000280075814 433001969 /nfs/dbraw/zinc/00/19/69/433001969.db2.gz LKXARXHEJIOJJL-RDJZCZTQSA-N 0 3 311.429 3.415 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280048448 433002099 /nfs/dbraw/zinc/00/20/99/433002099.db2.gz JKUUSQJABUWPSY-PKOBYXMFSA-N 0 3 315.413 3.484 20 10 DGCDHN Cc1nnc(CC[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)s1 ZINC000289938410 432979416 /nfs/dbraw/zinc/97/94/16/432979416.db2.gz VUZBIUQLUKBWNR-NSHDSACASA-N 0 3 317.458 3.324 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280048444 433002449 /nfs/dbraw/zinc/00/24/49/433002449.db2.gz JKUUSQJABUWPSY-HKUYNNGSSA-N 0 3 315.413 3.484 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(C)cc1[O-] ZINC000280062210 433002556 /nfs/dbraw/zinc/00/25/56/433002556.db2.gz KMAJECFWZULCLQ-ZOBUZTSGSA-N 0 3 318.461 3.388 20 10 DGCDHN CCc1nn(C)c(OC)c1CN[C@H](CC)c1ccc(C)cc1O ZINC000279994436 432999976 /nfs/dbraw/zinc/99/99/76/432999976.db2.gz FOVVDYARUMIVCV-OAHLLOKOSA-N 0 3 317.433 3.246 20 10 DGCDHN CC[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(C)cc1[O-] ZINC000280151542 433006368 /nfs/dbraw/zinc/00/63/68/433006368.db2.gz QFTWDFZSIYGIBR-MRXNPFEDSA-N 0 3 304.434 3.048 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1 ZINC000290183271 433008603 /nfs/dbraw/zinc/00/86/03/433008603.db2.gz FMGAISKWEYJRAR-ZJNRKIDTSA-N 0 3 301.386 3.174 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCSC2)c1[O-] ZINC000280591729 433101422 /nfs/dbraw/zinc/10/14/22/433101422.db2.gz XORMHQOHTSZUJG-JTQLQIEISA-N 0 3 316.264 3.306 20 10 DGCDHN Cc1cc(O)c(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1C ZINC000290819800 433177124 /nfs/dbraw/zinc/17/71/24/433177124.db2.gz GSMXLCJCWCYURR-HNNXBMFYSA-N 0 3 305.809 3.306 20 10 DGCDHN CCOc1ccc(O)c(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000291542619 433263326 /nfs/dbraw/zinc/26/33/26/433263326.db2.gz LKLVJNYKPSCJCE-IAGOWNOFSA-N 0 3 305.418 3.180 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281139804 433265948 /nfs/dbraw/zinc/26/59/48/433265948.db2.gz OFIQQPTWKQKRQE-MRXNPFEDSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281139804 433265954 /nfs/dbraw/zinc/26/59/54/433265954.db2.gz OFIQQPTWKQKRQE-MRXNPFEDSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000291717046 433323223 /nfs/dbraw/zinc/32/32/23/433323223.db2.gz MDDDJBDNKJKCMO-OAHLLOKOSA-N 0 3 300.377 3.208 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc([S@](C)=O)cc1 ZINC000296687924 290025771 /nfs/dbraw/zinc/02/57/71/290025771.db2.gz HABPPUIKYWXPSW-OLZZKDKNSA-N 0 3 315.438 3.468 20 10 DGCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCCC(F)(F)C2)cc1OC ZINC000282312522 433563636 /nfs/dbraw/zinc/56/36/36/433563636.db2.gz HASIFFGLLQLWCW-NSHDSACASA-N 0 3 315.360 3.325 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)cc1OC ZINC000292717196 433590795 /nfs/dbraw/zinc/59/07/95/433590795.db2.gz DUYCCGAQWKGFTB-KRWDZBQOSA-N 0 3 305.418 3.420 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)cc1OC ZINC000292717196 433590800 /nfs/dbraw/zinc/59/08/00/433590800.db2.gz DUYCCGAQWKGFTB-KRWDZBQOSA-N 0 3 305.418 3.420 20 10 DGCDHN Cc1nc(C2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)no1 ZINC000362237063 433595707 /nfs/dbraw/zinc/59/57/07/433595707.db2.gz ILAFWTNJIYRBRV-UHFFFAOYSA-N 0 3 321.808 3.425 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCC1CCOCC1)C[C@H]1CCCO1 ZINC000292889873 433600996 /nfs/dbraw/zinc/60/09/96/433600996.db2.gz JCNCCUJFYGQMNE-GOSISDBHSA-N 0 3 319.445 3.190 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCC1CCOCC1)C[C@H]1CCCO1 ZINC000292889873 433601009 /nfs/dbraw/zinc/60/10/09/433601009.db2.gz JCNCCUJFYGQMNE-GOSISDBHSA-N 0 3 319.445 3.190 20 10 DGCDHN CCCC[N@H+](Cc1cnc(N(C)C)nc1)Cc1ccccc1[O-] ZINC000283145550 433676415 /nfs/dbraw/zinc/67/64/15/433676415.db2.gz XDGRTFZYEJTKIY-UHFFFAOYSA-N 0 3 314.433 3.051 20 10 DGCDHN CCCC[N@@H+](Cc1cnc(N(C)C)nc1)Cc1ccccc1[O-] ZINC000283145550 433676423 /nfs/dbraw/zinc/67/64/23/433676423.db2.gz XDGRTFZYEJTKIY-UHFFFAOYSA-N 0 3 314.433 3.051 20 10 DGCDHN Cc1sccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000293585081 433790468 /nfs/dbraw/zinc/79/04/68/433790468.db2.gz NXWCKCJKJMOQDZ-UHFFFAOYSA-N 0 3 320.433 3.322 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1C ZINC000293702113 433833690 /nfs/dbraw/zinc/83/36/90/433833690.db2.gz RQDGCCAYOUMPTM-SFHVURJKSA-N 0 3 301.430 3.400 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1C ZINC000293702113 433833697 /nfs/dbraw/zinc/83/36/97/433833697.db2.gz RQDGCCAYOUMPTM-SFHVURJKSA-N 0 3 301.430 3.400 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)cc1C ZINC000376938588 433839939 /nfs/dbraw/zinc/83/99/39/433839939.db2.gz ZVJWQRBKWFMJLV-FQEVSTJZSA-N 0 3 322.408 3.105 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)cc1C ZINC000376938588 433839951 /nfs/dbraw/zinc/83/99/51/433839951.db2.gz ZVJWQRBKWFMJLV-FQEVSTJZSA-N 0 3 322.408 3.105 20 10 DGCDHN CC[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(C)cc1[O-] ZINC000377580354 433919906 /nfs/dbraw/zinc/91/99/06/433919906.db2.gz BPLNGMKORGTFRJ-BXWFABGCSA-N 0 3 313.397 3.236 20 10 DGCDHN COCC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CCOCC1 ZINC000294400761 434112386 /nfs/dbraw/zinc/11/23/86/434112386.db2.gz SLXKUSADJKTYQC-OAHLLOKOSA-N 0 3 307.434 3.103 20 10 DGCDHN COc1ncc(CNCc2cc(C)c(C)cc2O)cc1Cl ZINC000294932568 434154382 /nfs/dbraw/zinc/15/43/82/434154382.db2.gz GHXFURHWSCRQNN-UHFFFAOYSA-N 0 3 306.793 3.356 20 10 DGCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000295135212 434224188 /nfs/dbraw/zinc/22/41/88/434224188.db2.gz PDGYTWSLFGMLRD-WDEREUQCSA-N 0 3 321.339 3.409 20 10 DGCDHN COCCOc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295986912 434464516 /nfs/dbraw/zinc/46/45/16/434464516.db2.gz NOPHAJKFHMOOJH-QGZVFWFLSA-N 0 3 313.397 3.195 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)CC2 ZINC000296138202 434521153 /nfs/dbraw/zinc/52/11/53/434521153.db2.gz WBJDCJHPYUPIAV-GOSISDBHSA-N 0 3 319.408 3.414 20 10 DGCDHN COc1ccc([C@@H](NCc2cccc(OC)c2O)C2CC2)cn1 ZINC000527842283 295138953 /nfs/dbraw/zinc/13/89/53/295138953.db2.gz WNNFLUCBXFFZJY-KRWDZBQOSA-N 0 3 314.385 3.045 20 10 DGCDHN C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1[O-] ZINC000370373365 434610958 /nfs/dbraw/zinc/61/09/58/434610958.db2.gz JBCBKOOKPVNZDC-SJCJKPOMSA-N 0 3 300.377 3.369 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc2c(cc1[O-])CCCC2 ZINC000370397828 434611117 /nfs/dbraw/zinc/61/11/17/434611117.db2.gz OHHSYNIFKDYKCA-WBMJQRKESA-N 0 3 311.429 3.202 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1[O-] ZINC000370373367 434612194 /nfs/dbraw/zinc/61/21/94/434612194.db2.gz JBCBKOOKPVNZDC-YVEFUNNKSA-N 0 3 300.377 3.369 20 10 DGCDHN COc1cccc(CN2CCC(n3cc(Cl)cn3)CC2)c1O ZINC000371672516 434735524 /nfs/dbraw/zinc/73/55/24/434735524.db2.gz UFFUGGYOZGPRMF-UHFFFAOYSA-N 0 3 321.808 3.088 20 10 DGCDHN COc1cccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1[O-] ZINC000371672516 434735530 /nfs/dbraw/zinc/73/55/30/434735530.db2.gz UFFUGGYOZGPRMF-UHFFFAOYSA-N 0 3 321.808 3.088 20 10 DGCDHN COCCC1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000529637593 313244813 /nfs/dbraw/zinc/24/48/13/313244813.db2.gz GOQTZIXOAOVQFY-UHFFFAOYSA-N 0 3 313.825 3.303 20 10 DGCDHN COc1cccc([C@H](C[NH2+]Cc2cc(F)ccc2[O-])OC)c1 ZINC000529640723 340765974 /nfs/dbraw/zinc/76/59/74/340765974.db2.gz XOTKYYKEXBGCKP-KRWDZBQOSA-N 0 3 305.349 3.017 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000163470136 518839892 /nfs/dbraw/zinc/83/98/92/518839892.db2.gz BDHGJMAOXXKTBW-CABCVRRESA-N 0 3 320.433 3.318 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCCC(=O)N2CCCCC2)cc1 ZINC000163500606 520288445 /nfs/dbraw/zinc/28/84/45/520288445.db2.gz LCQDSSXMJNJOGJ-INIZCTEOSA-N 0 3 317.477 3.196 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180020530 520659909 /nfs/dbraw/zinc/65/99/09/520659909.db2.gz MXECQFYRMNKPBQ-ZIAGYGMSSA-N 0 3 322.424 3.048 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180020530 520659913 /nfs/dbraw/zinc/65/99/13/520659913.db2.gz MXECQFYRMNKPBQ-ZIAGYGMSSA-N 0 3 322.424 3.048 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000267203723 521373944 /nfs/dbraw/zinc/37/39/44/521373944.db2.gz PEKBVCDNJZYAGG-SJKOYZFVSA-N 0 3 319.376 3.142 20 10 DGCDHN CCSCC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000180670832 521715256 /nfs/dbraw/zinc/71/52/56/521715256.db2.gz PNWKHMZQXDWBPR-LBPRGKRZSA-N 0 3 313.463 3.373 20 10 DGCDHN CCSCC[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000180670832 521715257 /nfs/dbraw/zinc/71/52/57/521715257.db2.gz PNWKHMZQXDWBPR-LBPRGKRZSA-N 0 3 313.463 3.373 20 10 DGCDHN CN(c1ccc(CNCc2cncn2C)cc1)C1CCCCC1 ZINC000237056224 523637302 /nfs/dbraw/zinc/63/73/02/523637302.db2.gz PYYRRHCLVRPYPA-UHFFFAOYSA-N 0 3 312.461 3.479 20 10 DGCDHN Cc1cccc(CN(C)Cc2cc(Br)cn2C)c1O ZINC000180720516 524377380 /nfs/dbraw/zinc/37/73/80/524377380.db2.gz JHNFKDKVWLFLDJ-UHFFFAOYSA-N 0 3 323.234 3.434 20 10 DGCDHN Cc1cccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1[O-] ZINC000182187123 524433161 /nfs/dbraw/zinc/43/31/61/524433161.db2.gz FTDDJVXLBZYMFH-UHFFFAOYSA-N 0 3 324.424 3.160 20 10 DGCDHN Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000191603466 524465745 /nfs/dbraw/zinc/46/57/45/524465745.db2.gz GLYHVAAXLANYKJ-BBRMVZONSA-N 0 3 303.377 3.094 20 10 DGCDHN Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000189092487 524473408 /nfs/dbraw/zinc/47/34/08/524473408.db2.gz SLRHPKGNINZSNN-YJBOKZPZSA-N 0 3 324.424 3.152 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOc2ccc(F)cc2)c1 ZINC000182460825 524768329 /nfs/dbraw/zinc/76/83/29/524768329.db2.gz GRIHIBXKRXSIHR-LBPRGKRZSA-N 0 3 305.349 3.270 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c1 ZINC000188680936 524771120 /nfs/dbraw/zinc/77/11/20/524771120.db2.gz WZXCZZLFQOGMTB-SCLBCKFNSA-N 0 3 307.434 3.383 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OC)c(F)c2)c1 ZINC000182342205 524771255 /nfs/dbraw/zinc/77/12/55/524771255.db2.gz KWQCFDKPNLYTSN-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN Cc1cc(O)c(CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000182107706 525321698 /nfs/dbraw/zinc/32/16/98/525321698.db2.gz VVDVMTDZKVEYRT-HTAPYJJXSA-N 0 3 317.454 3.218 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc2c(cc1[O-])CCCC2 ZINC000188002200 525679081 /nfs/dbraw/zinc/67/90/81/525679081.db2.gz MAUXOPCQMKRLOT-LBTNJELSSA-N 0 3 303.446 3.473 20 10 DGCDHN COc1cccc(C[NH2+]C2CC(OCc3ccccc3)C2)c1[O-] ZINC000364924797 526012110 /nfs/dbraw/zinc/01/21/10/526012110.db2.gz RDDPTGRCXAKREK-UHFFFAOYSA-N 0 3 313.397 3.238 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000129218268 526363387 /nfs/dbraw/zinc/36/33/87/526363387.db2.gz KMCIJSFRJILOGK-CQSZACIVSA-N 0 3 308.853 3.496 20 10 DGCDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000177975396 528034245 /nfs/dbraw/zinc/03/42/45/528034245.db2.gz ZTNCISLYCLBCNU-MRXNPFEDSA-N 0 3 317.477 3.023 20 10 DGCDHN CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000285200497 535419080 /nfs/dbraw/zinc/41/90/80/535419080.db2.gz OBLKYHLAZNBLLT-HNNXBMFYSA-N 0 3 306.450 3.308 20 10 DGCDHN CN(C)C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000297470470 535955705 /nfs/dbraw/zinc/95/57/05/535955705.db2.gz YPFINBHKLJVGAA-SJORKVTESA-N 0 3 314.404 3.411 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc2c(cc1[O-])CCCC2 ZINC000186115436 546193257 /nfs/dbraw/zinc/19/32/57/546193257.db2.gz XLIHAZALWYOMBT-WBMJQRKESA-N 0 3 311.429 3.202 20 10 DGCDHN CC[NH+](CC)[C@H](CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731866517 574561098 /nfs/dbraw/zinc/56/10/98/574561098.db2.gz OJAJQMNFXNXUQP-OAHLLOKOSA-N 0 3 318.442 3.267 20 10 DGCDHN CCN(CC)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731866517 574561099 /nfs/dbraw/zinc/56/10/99/574561099.db2.gz OJAJQMNFXNXUQP-OAHLLOKOSA-N 0 3 318.442 3.267 20 10 DGCDHN CN(C)c1ccc(CNC[C@H](O)c2cccc(Cl)c2)cc1F ZINC000733325139 574615750 /nfs/dbraw/zinc/61/57/50/574615750.db2.gz ABCJUBZBQPUADB-KRWDZBQOSA-N 0 3 322.811 3.368 20 10 DGCDHN Cc1ccc(O)c(CN2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000733324861 574616021 /nfs/dbraw/zinc/61/60/21/574616021.db2.gz HKOBBXPHIAMUTF-ZDUSSCGKSA-N 0 3 303.324 3.244 20 10 DGCDHN CN(Cc1ccc(N(C)C)cc1)C[C@H]1OCCc2ccccc21 ZINC000734636872 574671837 /nfs/dbraw/zinc/67/18/37/574671837.db2.gz CDRMNDFCKVLQFB-HXUWFJFHSA-N 0 3 310.441 3.498 20 10 DGCDHN CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])C[C@@H]1CCOC1 ZINC000738080541 574858587 /nfs/dbraw/zinc/85/85/87/574858587.db2.gz GQNIAIKBDIHEIC-ZDUSSCGKSA-N 0 3 307.434 3.254 20 10 DGCDHN CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])C[C@@H]1CCOC1 ZINC000738080541 574858589 /nfs/dbraw/zinc/85/85/89/574858589.db2.gz GQNIAIKBDIHEIC-ZDUSSCGKSA-N 0 3 307.434 3.254 20 10 DGCDHN O=C(/C=C/c1cccnc1)N(CCN1CCCC1)c1ccccc1 ZINC000739650588 574909773 /nfs/dbraw/zinc/90/97/73/574909773.db2.gz WLDUPAGGPCWICS-ZHACJKMWSA-N 0 3 321.424 3.224 20 10 DGCDHN Cc1ccc(N2CCC[C@H](N(C)Cc3ccccc3O)C2=O)cc1 ZINC000744403363 575340054 /nfs/dbraw/zinc/34/00/54/575340054.db2.gz YNOXZRCUWNMMIF-SFHVURJKSA-N 0 3 324.424 3.328 20 10 DGCDHN CN(C)c1ccc(CNCCCC(=O)OC(C)(C)C)cc1F ZINC000744449686 575343715 /nfs/dbraw/zinc/34/37/15/575343715.db2.gz BOICRKUNNZPIAB-UHFFFAOYSA-N 0 3 310.413 3.103 20 10 DGCDHN COC(=O)/C(C)=C/C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000748818217 575609847 /nfs/dbraw/zinc/60/98/47/575609847.db2.gz SDKPZNBJUDEAKC-SDNWHVSQSA-N 0 3 303.402 3.256 20 10 DGCDHN COC(=O)/C(C)=C/C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000748818217 575609850 /nfs/dbraw/zinc/60/98/50/575609850.db2.gz SDKPZNBJUDEAKC-SDNWHVSQSA-N 0 3 303.402 3.256 20 10 DGCDHN CCCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccccc1O ZINC000750875750 575757083 /nfs/dbraw/zinc/75/70/83/575757083.db2.gz WOVCVRKWHALITP-DOTOQJQBSA-N 0 3 318.461 3.299 20 10 DGCDHN COc1cc(CN2CCOC(C3CC3)(C3CC3)C2)c(O)cc1C ZINC000853583005 620712869 /nfs/dbraw/zinc/71/28/69/620712869.db2.gz NONMOLZUVXFULA-UHFFFAOYSA-N 0 3 317.429 3.100 20 10 DGCDHN CCC[N@H+](Cc1ccc(OCCOC)o1)Cc1ccccc1[O-] ZINC000891853049 617912231 /nfs/dbraw/zinc/91/22/31/617912231.db2.gz AFSUJSLZFSZJRZ-UHFFFAOYSA-N 0 3 319.401 3.423 20 10 DGCDHN CCC[N@@H+](Cc1ccc(OCCOC)o1)Cc1ccccc1[O-] ZINC000891853049 617912234 /nfs/dbraw/zinc/91/22/34/617912234.db2.gz AFSUJSLZFSZJRZ-UHFFFAOYSA-N 0 3 319.401 3.423 20 10 DGCDHN COc1ccc(CNCc2ccccc2Cl)c(O)c1OC ZINC000892450339 618069565 /nfs/dbraw/zinc/06/95/65/618069565.db2.gz AMWFDDNVWICUOY-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN Cc1occc1CNCc1ccc(N2CCSCC2)cc1 ZINC000840879679 618078590 /nfs/dbraw/zinc/07/85/90/618078590.db2.gz GDKOICSHDXDAKJ-UHFFFAOYSA-N 0 3 302.443 3.431 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)c([O-])c1 ZINC000840882033 618108999 /nfs/dbraw/zinc/10/89/99/618108999.db2.gz SEHREWHBQPPTDP-DZGCQCFKSA-N 0 3 303.377 3.266 20 10 DGCDHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(N(C)C)cc1 ZINC000920258068 620792837 /nfs/dbraw/zinc/79/28/37/620792837.db2.gz GLCBVKLWUHFVEL-NXHRZFHOSA-N 0 3 316.445 3.059 20 10 DGCDHN COC(=O)c1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000894451133 618337210 /nfs/dbraw/zinc/33/72/10/618337210.db2.gz CKENCMFFIWUWSL-UHFFFAOYSA-N 0 3 311.381 3.088 20 10 DGCDHN CCC[C@H](NCc1ccc(OC)c(OC)c1O)c1ccccn1 ZINC000892910481 618347620 /nfs/dbraw/zinc/34/76/20/618347620.db2.gz CXBLICSUAPPUPN-AWEZNQCLSA-N 0 3 316.401 3.435 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000840896612 618405007 /nfs/dbraw/zinc/40/50/07/618405007.db2.gz JIVRHIGSBZXXPD-DZGCQCFKSA-N 0 3 300.377 3.461 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)Nc1ccccc1 ZINC000840934336 618609855 /nfs/dbraw/zinc/60/98/55/618609855.db2.gz ONCHKZLDEVTQCZ-HNNXBMFYSA-N 0 3 311.429 3.178 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cn(C)nc2C2CCCC2)c([O-])c1 ZINC000894186765 618725829 /nfs/dbraw/zinc/72/58/29/618725829.db2.gz YPMUXSRVJNFOAU-UHFFFAOYSA-N 0 3 315.417 3.082 20 10 DGCDHN COc1ccc(C[NH2+][C@H](C)[C@H]2COc3ccccc3C2)c([O-])c1 ZINC000894186488 618725891 /nfs/dbraw/zinc/72/58/91/618725891.db2.gz XEKAFJHRQHXCHA-CZUORRHYSA-N 0 3 313.397 3.130 20 10 DGCDHN CCCOc1ccc(CNCc2cc(C)cc(OC)c2O)cn1 ZINC000894186078 618726063 /nfs/dbraw/zinc/72/60/63/618726063.db2.gz HSBMRVDXXYJKIT-UHFFFAOYSA-N 0 3 316.401 3.183 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCCOC1 ZINC000895665029 618814111 /nfs/dbraw/zinc/81/41/11/618814111.db2.gz WZMFCAIATWSUJE-SMDDNHRTSA-N 0 3 313.825 3.349 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000895799059 618833248 /nfs/dbraw/zinc/83/32/48/618833248.db2.gz GRGYTRGZVNUBRR-INIZCTEOSA-N 0 3 319.445 3.156 20 10 DGCDHN COC1(OC)CC2(C[N@H+](Cc3c(C)cccc3[O-])[C@H]2C(C)C)C1 ZINC000895987407 618857767 /nfs/dbraw/zinc/85/77/67/618857767.db2.gz DZJXOKWCRZFNSD-KRWDZBQOSA-N 0 3 319.445 3.310 20 10 DGCDHN COC1(OC)CC2(C[N@@H+](Cc3c(C)cccc3[O-])[C@H]2C(C)C)C1 ZINC000895987407 618857769 /nfs/dbraw/zinc/85/77/69/618857769.db2.gz DZJXOKWCRZFNSD-KRWDZBQOSA-N 0 3 319.445 3.310 20 10 DGCDHN Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c([O-])c1 ZINC000896218338 618888023 /nfs/dbraw/zinc/88/80/23/618888023.db2.gz XHPMFHXHKGNMJF-QUCCMNQESA-N 0 3 309.409 3.101 20 10 DGCDHN Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c([O-])c1 ZINC000896218338 618888026 /nfs/dbraw/zinc/88/80/26/618888026.db2.gz XHPMFHXHKGNMJF-QUCCMNQESA-N 0 3 309.409 3.101 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896229056 618889046 /nfs/dbraw/zinc/88/90/46/618889046.db2.gz YVCOLYQKMVAGJT-GFCCVEGCSA-N 0 3 307.262 3.398 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896229056 618889049 /nfs/dbraw/zinc/88/90/49/618889049.db2.gz YVCOLYQKMVAGJT-GFCCVEGCSA-N 0 3 307.262 3.398 20 10 DGCDHN Cc1ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC000896808045 618961887 /nfs/dbraw/zinc/96/18/87/618961887.db2.gz BHKPEGADKVPNDO-JSGCOSHPSA-N 0 3 303.324 3.290 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000896820761 618964935 /nfs/dbraw/zinc/96/49/35/618964935.db2.gz BIODCTUUFFAHPO-RISCZKNCSA-N 0 3 303.324 3.290 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000896821123 618964942 /nfs/dbraw/zinc/96/49/42/618964942.db2.gz FDQRTIYSHIKNDY-AAEUAGOBSA-N 0 3 307.287 3.121 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC000896824010 618965328 /nfs/dbraw/zinc/96/53/28/618965328.db2.gz RAJVPERWBGJDOL-GXTWGEPZSA-N 0 3 303.324 3.290 20 10 DGCDHN COc1cc(Cl)cc(CNCc2cccc3c2OCC3)c1O ZINC000897207249 619028981 /nfs/dbraw/zinc/02/89/81/619028981.db2.gz ZCYJUHNINXIKOX-UHFFFAOYSA-N 0 3 319.788 3.279 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000897269735 619039863 /nfs/dbraw/zinc/03/98/63/619039863.db2.gz OBSFEOREEFVWNX-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000897269735 619039864 /nfs/dbraw/zinc/03/98/64/619039864.db2.gz OBSFEOREEFVWNX-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN CCO[C@]12CCC[C@@]1(NCc1ccc(OC)c(C)c1)CCO2 ZINC000897978819 619202538 /nfs/dbraw/zinc/20/25/38/619202538.db2.gz SVAYHSFWTSCRRN-MSOLQXFVSA-N 0 3 305.418 3.169 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c([O-])c1 ZINC000898071489 619212837 /nfs/dbraw/zinc/21/28/37/619212837.db2.gz LXUHOVRLAJXBBR-ZDUSSCGKSA-N 0 3 318.442 3.312 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c([O-])c1 ZINC000898071489 619212839 /nfs/dbraw/zinc/21/28/39/619212839.db2.gz LXUHOVRLAJXBBR-ZDUSSCGKSA-N 0 3 318.442 3.312 20 10 DGCDHN COc1ccc(O)c(CN[C@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000898179993 619223247 /nfs/dbraw/zinc/22/32/47/619223247.db2.gz QYXQIDRGGABGFT-CYBMUJFWSA-N 0 3 315.417 3.248 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2c(C)nc3ccccn32)c([O-])c1 ZINC000898276791 619231656 /nfs/dbraw/zinc/23/16/56/619231656.db2.gz SRGNMKRGIGNRJN-UHFFFAOYSA-N 0 3 311.385 3.037 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c([O-])c1 ZINC000926959034 619252522 /nfs/dbraw/zinc/25/25/22/619252522.db2.gz AINKUILQSXSWPW-SMDDNHRTSA-N 0 3 304.356 3.234 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CC3(C2)OCCO3)c1[O-] ZINC000927001929 619256015 /nfs/dbraw/zinc/25/60/15/619256015.db2.gz QQYBRAMNQRSLMT-NSHDSACASA-N 0 3 311.809 3.158 20 10 DGCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)n1 ZINC000927050916 619260461 /nfs/dbraw/zinc/26/04/61/619260461.db2.gz VSGSEMHXCOOTQY-YNEHKIRRSA-N 0 3 301.390 3.325 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C/C=C\Cl)c1[O-] ZINC000898435581 619275738 /nfs/dbraw/zinc/27/57/38/619275738.db2.gz JMFBVRYWOSWKJZ-IHWYPQMZSA-N 0 3 306.587 3.005 20 10 DGCDHN C[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)c2c1c(F)ccc2[O-] ZINC000902437014 619635664 /nfs/dbraw/zinc/63/56/64/619635664.db2.gz GHLKTPQPWANSFV-VGQSVSGKSA-N 0 3 312.388 3.294 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000903179553 619730964 /nfs/dbraw/zinc/73/09/64/619730964.db2.gz QHACUBDEGYBBHV-FWDPORAESA-N 0 3 307.287 3.292 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c([O-])c1 ZINC000903310764 619757275 /nfs/dbraw/zinc/75/72/75/619757275.db2.gz QQEPNFJKKGSGND-ACJLOTCBSA-N 0 3 303.377 3.398 20 10 DGCDHN CO[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCSC1 ZINC000903314739 619758277 /nfs/dbraw/zinc/75/82/77/619758277.db2.gz PFCQFSMYCOVKDN-XAGWURHQSA-N 0 3 311.422 3.191 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(C)cc1[O-] ZINC000903389496 619770517 /nfs/dbraw/zinc/77/05/17/619770517.db2.gz LZOMCCUCHAFSSC-WBVHZDCISA-N 0 3 305.418 3.079 20 10 DGCDHN Cn1nccc1[C@H]1CCCN1Cc1cc2c(cc1O)CCCC2 ZINC000905734053 620023933 /nfs/dbraw/zinc/02/39/33/620023933.db2.gz BDEIKDFEPBDPOD-GOSISDBHSA-N 0 3 311.429 3.342 20 10 DGCDHN CN(C)C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921506172 620877255 /nfs/dbraw/zinc/87/72/55/620877255.db2.gz NSFIHLJZNWMFJS-LJQANCHMSA-N 0 3 310.441 3.404 20 10 DGCDHN CCOc1ccc(CNCc2nccc3c2CCCC3)c(O)c1 ZINC000922466103 621041453 /nfs/dbraw/zinc/04/14/53/621041453.db2.gz GAZOOTQSQGAQQM-UHFFFAOYSA-N 0 3 312.413 3.355 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2nccc3c2CCCC3)c([O-])c1 ZINC000922466103 621041455 /nfs/dbraw/zinc/04/14/55/621041455.db2.gz GAZOOTQSQGAQQM-UHFFFAOYSA-N 0 3 312.413 3.355 20 10 DGCDHN COc1ccc(CNCc2ccc(N(C)C)cc2C)c(OC)c1 ZINC000115629073 621119096 /nfs/dbraw/zinc/11/90/96/621119096.db2.gz WBQXSUJKBFISDY-UHFFFAOYSA-N 0 3 314.429 3.368 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c([O-])c1 ZINC000922896300 621127552 /nfs/dbraw/zinc/12/75/52/621127552.db2.gz IKXBSZWHKWRAPY-MAUKXSAKSA-N 0 3 305.418 3.086 20 10 DGCDHN Cc1ccc(CCNCc2cc(F)c(N(C)C)cc2F)nc1 ZINC000858175208 621161694 /nfs/dbraw/zinc/16/16/94/621161694.db2.gz JAUYTVMGBDLQEO-UHFFFAOYSA-N 0 3 305.372 3.067 20 10 DGCDHN CC(C)OCC(C)(C)NCc1cc(F)c(N(C)C)cc1F ZINC000858179166 621161953 /nfs/dbraw/zinc/16/19/53/621161953.db2.gz ZZUGDUIQVWKWPM-UHFFFAOYSA-N 0 3 300.393 3.324 20 10 DGCDHN CN(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CC(F)F ZINC000858336397 621177491 /nfs/dbraw/zinc/17/74/91/621177491.db2.gz GMEWDPBEUBMJID-UHFFFAOYSA-N 0 3 320.383 3.346 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccccc1[O-] ZINC000858448592 621192560 /nfs/dbraw/zinc/19/25/60/621192560.db2.gz DHKOVOAPOFVJKR-OCCSQVGLSA-N 0 3 313.323 3.433 20 10 DGCDHN CCOc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)c([O-])c1 ZINC000753596182 621452667 /nfs/dbraw/zinc/45/26/67/621452667.db2.gz VXNAZYOXQTXUCN-LBPRGKRZSA-N 0 3 306.431 3.483 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)c([O-])c1 ZINC000753596182 621452670 /nfs/dbraw/zinc/45/26/70/621452670.db2.gz VXNAZYOXQTXUCN-LBPRGKRZSA-N 0 3 306.431 3.483 20 10 DGCDHN C[C@H](CO)N(Cc1cc(F)c(N(C)C)cc1F)CC1CCC1 ZINC000862358869 621577715 /nfs/dbraw/zinc/57/77/15/621577715.db2.gz YKYPYTUAATXVQP-GFCCVEGCSA-N 0 3 312.404 3.014 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862486100 621594801 /nfs/dbraw/zinc/59/48/01/621594801.db2.gz VNOZKPUCBAGRSY-UKRRQHHQSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862486100 621594803 /nfs/dbraw/zinc/59/48/03/621594803.db2.gz VNOZKPUCBAGRSY-UKRRQHHQSA-N 0 3 305.418 3.192 20 10 DGCDHN CC(C)[NH+](CCN[C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756369673 621632332 /nfs/dbraw/zinc/63/23/32/621632332.db2.gz CRZZVZMKGRFYBL-LBPRGKRZSA-N 0 3 300.393 3.440 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCN2CCC(C)CC2)c2c1c(F)ccc2[O-] ZINC000756412948 621636849 /nfs/dbraw/zinc/63/68/49/621636849.db2.gz WMNGUPHMIWKGCM-HIFRSBDPSA-N 0 3 306.425 3.401 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)c2c1c(F)ccc2[O-] ZINC000756431624 621638102 /nfs/dbraw/zinc/63/81/02/621638102.db2.gz OHSBVKYHPKXZSW-RZFFKMDDSA-N 0 3 304.409 3.296 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCCC[C@H]23)c2c1c(F)ccc2[O-] ZINC000756431620 621638312 /nfs/dbraw/zinc/63/83/12/621638312.db2.gz OHSBVKYHPKXZSW-REBRKWNGSA-N 0 3 304.409 3.296 20 10 DGCDHN COc1ccc(O)c(CNCc2cccc3c2OC(C)(C)C3)c1 ZINC000119271456 621638535 /nfs/dbraw/zinc/63/85/35/621638535.db2.gz RCLGBUGINCSPLG-UHFFFAOYSA-N 0 3 313.397 3.404 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2O)c2c1c(F)ccc2[O-] ZINC000756641359 621655246 /nfs/dbraw/zinc/65/52/46/621655246.db2.gz VBKBWIPSKXSEFO-IQGUHLKTSA-N 0 3 313.372 3.328 20 10 DGCDHN COc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(C)cc1O ZINC000756711044 621659886 /nfs/dbraw/zinc/65/98/86/621659886.db2.gz HRDVXVAEHVTGLC-CZUORRHYSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])C2 ZINC000756776233 621663914 /nfs/dbraw/zinc/66/39/14/621663914.db2.gz XISLTPULYXWZOF-HIFRSBDPSA-N 0 3 313.397 3.364 20 10 DGCDHN CC1(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])OCCO1 ZINC000759179897 621832482 /nfs/dbraw/zinc/83/24/82/621832482.db2.gz NTUPXRKKGHXLGD-UHFFFAOYSA-N 0 3 313.397 3.302 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000865650302 621971205 /nfs/dbraw/zinc/97/12/05/621971205.db2.gz BNBITOJQXAPSIO-WBVHZDCISA-N 0 3 305.324 3.290 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000865653963 621972103 /nfs/dbraw/zinc/97/21/03/621972103.db2.gz JSFSSTUXPPFMJR-CQSZACIVSA-N 0 3 311.303 3.234 20 10 DGCDHN OC[C@@H](NCc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000865653963 621972105 /nfs/dbraw/zinc/97/21/05/621972105.db2.gz JSFSSTUXPPFMJR-CQSZACIVSA-N 0 3 311.303 3.234 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c([O-])c1 ZINC000865736119 621986286 /nfs/dbraw/zinc/98/62/86/621986286.db2.gz GGNFRQUWFZELHJ-QZTJIDSGSA-N 0 3 305.418 3.228 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C2(CCO)CCCCC2)c1[O-] ZINC000761216898 621995410 /nfs/dbraw/zinc/99/54/10/621995410.db2.gz ZLCYTXIWDZFYSG-UHFFFAOYSA-N 0 3 313.825 3.229 20 10 DGCDHN CCOc1cccc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000865786445 621995560 /nfs/dbraw/zinc/99/55/60/621995560.db2.gz MEKPFJGPWKHHJT-UHFFFAOYSA-N 0 3 316.357 3.297 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1[O-] ZINC000866463170 622122285 /nfs/dbraw/zinc/12/22/85/622122285.db2.gz KMENWGFHYRTGSS-UBJUHAIHSA-N 0 3 311.731 3.316 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(C)cc1[O-] ZINC000866533369 622133586 /nfs/dbraw/zinc/13/35/86/622133586.db2.gz QKYVBZCSASDQTQ-DOTOQJQBSA-N 0 3 319.445 3.327 20 10 DGCDHN C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc(F)ccc1[O-] ZINC000866574706 622141422 /nfs/dbraw/zinc/14/14/22/622141422.db2.gz ZNTRGWIKPVFZMY-GFCCVEGCSA-N 0 3 313.376 3.311 20 10 DGCDHN C[C@@H](N[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765834816 622290223 /nfs/dbraw/zinc/29/02/23/622290223.db2.gz HTKGCIFPXDUGMX-ZIAGYGMSSA-N 0 3 324.852 3.006 20 10 DGCDHN C[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000766435915 622329768 /nfs/dbraw/zinc/32/97/68/622329768.db2.gz CPSSGRNPTBGDQX-OAHLLOKOSA-N 0 3 317.477 3.194 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCCCC1)[C@@H](O)CO2 ZINC000768442514 622456112 /nfs/dbraw/zinc/45/61/12/622456112.db2.gz KWXKAVIJKKJURL-AEFFLSMTSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCCCC1)[C@@H](O)CO2 ZINC000768442514 622456114 /nfs/dbraw/zinc/45/61/14/622456114.db2.gz KWXKAVIJKKJURL-AEFFLSMTSA-N 0 3 317.429 3.363 20 10 DGCDHN COc1cc(O)c(CN(Cc2ccccn2)C(C)C)cc1OC ZINC000768444336 622456162 /nfs/dbraw/zinc/45/61/62/622456162.db2.gz XPWHUGHZFIOIAF-UHFFFAOYSA-N 0 3 316.401 3.215 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccsc1)[C@@H](O)CO2 ZINC000768439707 622456185 /nfs/dbraw/zinc/45/61/85/622456185.db2.gz MRXKUCYNPBEAKL-ZBFHGGJFSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccsc1)[C@@H](O)CO2 ZINC000768439707 622456186 /nfs/dbraw/zinc/45/61/86/622456186.db2.gz MRXKUCYNPBEAKL-ZBFHGGJFSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CC=CCC3)C1)[C@@H](O)CO2 ZINC000768445672 622456880 /nfs/dbraw/zinc/45/68/80/622456880.db2.gz GKKVGTDVYQQPGM-PKOBYXMFSA-N 0 3 315.413 3.140 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CC=CCC3)C1)[C@@H](O)CO2 ZINC000768445672 622456884 /nfs/dbraw/zinc/45/68/84/622456884.db2.gz GKKVGTDVYQQPGM-PKOBYXMFSA-N 0 3 315.413 3.140 20 10 DGCDHN CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445146 622457179 /nfs/dbraw/zinc/45/71/79/622457179.db2.gz QEYVBTQFPLLXSW-BBRMVZONSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445146 622457181 /nfs/dbraw/zinc/45/71/81/622457181.db2.gz QEYVBTQFPLLXSW-BBRMVZONSA-N 0 3 305.418 3.219 20 10 DGCDHN CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464121 622458001 /nfs/dbraw/zinc/45/80/01/622458001.db2.gz ZYSOYWKFQHXDMQ-MJEQTWJJSA-N 0 3 305.418 3.219 20 10 DGCDHN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464121 622458002 /nfs/dbraw/zinc/45/80/02/622458002.db2.gz ZYSOYWKFQHXDMQ-MJEQTWJJSA-N 0 3 305.418 3.219 20 10 DGCDHN CCCCC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462144 622458074 /nfs/dbraw/zinc/45/80/74/622458074.db2.gz JXWSSEGVQGHWAD-WMLDXEAASA-N 0 3 305.418 3.363 20 10 DGCDHN CCCCC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462144 622458077 /nfs/dbraw/zinc/45/80/77/622458077.db2.gz JXWSSEGVQGHWAD-WMLDXEAASA-N 0 3 305.418 3.363 20 10 DGCDHN CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462485 622458098 /nfs/dbraw/zinc/45/80/98/622458098.db2.gz LXBGOYKFDNJPAH-WMLDXEAASA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)CC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462485 622458101 /nfs/dbraw/zinc/45/81/01/622458101.db2.gz LXBGOYKFDNJPAH-WMLDXEAASA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462484 622458277 /nfs/dbraw/zinc/45/82/77/622458277.db2.gz LXBGOYKFDNJPAH-RHSMWYFYSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)CC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462484 622458279 /nfs/dbraw/zinc/45/82/79/622458279.db2.gz LXBGOYKFDNJPAH-RHSMWYFYSA-N 0 3 305.418 3.219 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000768863999 622481606 /nfs/dbraw/zinc/48/16/06/622481606.db2.gz ZQMGUBQVWRYXBG-UHFFFAOYSA-N 0 3 319.376 3.441 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000768863999 622481607 /nfs/dbraw/zinc/48/16/07/622481607.db2.gz ZQMGUBQVWRYXBG-UHFFFAOYSA-N 0 3 319.376 3.441 20 10 DGCDHN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1 ZINC000768892826 622483701 /nfs/dbraw/zinc/48/37/01/622483701.db2.gz MKKSHSFEYQEZKF-OAHLLOKOSA-N 0 3 316.420 3.275 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1[O-] ZINC000769471425 622531081 /nfs/dbraw/zinc/53/10/81/622531081.db2.gz UHPUGHQVPKIPNE-UWVGGRQHSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(Br)cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1[O-] ZINC000769471425 622531083 /nfs/dbraw/zinc/53/10/83/622531083.db2.gz UHPUGHQVPKIPNE-UWVGGRQHSA-N 0 3 314.223 3.394 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@H]2C[C@H](OCC)C2(C)C)c([O-])c1 ZINC000769474886 622531557 /nfs/dbraw/zinc/53/15/57/622531557.db2.gz SWQZKCDJXDMQJC-IRXDYDNUSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@H]2C[C@H](OCC)C2(C)C)c([O-])c1 ZINC000769474886 622531558 /nfs/dbraw/zinc/53/15/58/622531558.db2.gz SWQZKCDJXDMQJC-IRXDYDNUSA-N 0 3 307.434 3.426 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccsc2)c2c1c(F)ccc2[O-] ZINC000769990653 622587398 /nfs/dbraw/zinc/58/73/98/622587398.db2.gz VUEFMRMRDPGDHF-ICCXJUOJSA-N 0 3 307.390 3.464 20 10 DGCDHN Oc1ccccc1CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000770509546 622640434 /nfs/dbraw/zinc/64/04/34/622640434.db2.gz OAVYSXNYXBPWJJ-UHFFFAOYSA-N 0 3 316.832 3.363 20 10 DGCDHN Oc1ccccc1CN1CCN(Cc2ccccc2Cl)CC1 ZINC000770509295 622640647 /nfs/dbraw/zinc/64/06/47/622640647.db2.gz KQEHHZJSCBWHFN-UHFFFAOYSA-N 0 3 316.832 3.363 20 10 DGCDHN C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000872111079 622813968 /nfs/dbraw/zinc/81/39/68/622813968.db2.gz YRIPPURMLITKQW-SSDOTTSWSA-N 0 3 317.229 3.354 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2=O)c2c1c(F)ccc2[O-] ZINC000872113215 622814620 /nfs/dbraw/zinc/81/46/20/622814620.db2.gz NNTFIDJNPVIRCA-NTZNESFSSA-N 0 3 307.365 3.013 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CCC3)CC1)[C@@H](O)CO2 ZINC000872701365 622956031 /nfs/dbraw/zinc/95/60/31/622956031.db2.gz WBJHNASPRZKZRX-KDOFPFPSSA-N 0 3 317.429 3.220 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CCC3)CC1)[C@@H](O)CO2 ZINC000872701365 622956033 /nfs/dbraw/zinc/95/60/33/622956033.db2.gz WBJHNASPRZKZRX-KDOFPFPSSA-N 0 3 317.429 3.220 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C ZINC000773042484 622972979 /nfs/dbraw/zinc/97/29/79/622972979.db2.gz BDENFTURTNEEPZ-JKSUJKDBSA-N 0 3 317.477 3.194 20 10 DGCDHN COc1cccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000873184261 623065148 /nfs/dbraw/zinc/06/51/48/623065148.db2.gz ITFHRLQQYQNBJD-LLVKDONJSA-N 0 3 302.330 3.160 20 10 DGCDHN CCN(C)c1ccc(CN(C)Cc2ccc(OC)c(O)c2)cc1 ZINC000773766743 623070803 /nfs/dbraw/zinc/07/08/03/623070803.db2.gz VCVQGHVEUFEJIQ-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CCN(C)c1ccc(CN(C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000773808151 623074126 /nfs/dbraw/zinc/07/41/26/623074126.db2.gz NUGJXCUNJDNJCH-SFHVURJKSA-N 0 3 312.461 3.386 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1[O-] ZINC000775158131 623236523 /nfs/dbraw/zinc/23/65/23/623236523.db2.gz NROYBYLWLRDJKF-OAHLLOKOSA-N 0 3 324.852 3.161 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c([O-])c1 ZINC000775371637 623261558 /nfs/dbraw/zinc/26/15/58/623261558.db2.gz OPBCTTPEDSRACZ-SJLPKXTDSA-N 0 3 307.434 3.474 20 10 DGCDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775632884 623299214 /nfs/dbraw/zinc/29/92/14/623299214.db2.gz CTJZTOWBYYWIQB-LBPRGKRZSA-N 0 3 311.809 3.129 20 10 DGCDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775632884 623299216 /nfs/dbraw/zinc/29/92/16/623299216.db2.gz CTJZTOWBYYWIQB-LBPRGKRZSA-N 0 3 311.809 3.129 20 10 DGCDHN C[C@@H](NCC(=O)NC1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000775830121 623338387 /nfs/dbraw/zinc/33/83/87/623338387.db2.gz DAHRQWDANSLZJR-OAHLLOKOSA-N 0 3 317.477 3.242 20 10 DGCDHN C[C@H](NCC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775832762 623338503 /nfs/dbraw/zinc/33/85/03/623338503.db2.gz BNBRELNJYVTYQM-ZDUSSCGKSA-N 0 3 315.392 3.181 20 10 DGCDHN Cc1nnc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])s1 ZINC000810242361 623466583 /nfs/dbraw/zinc/46/65/83/623466583.db2.gz ADGLKBGLRAQDBU-VIFPVBQESA-N 0 3 311.838 3.407 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c([O-])c1 ZINC000790484681 625659800 /nfs/dbraw/zinc/65/98/00/625659800.db2.gz HLEVOGISTQAUCV-KRWDZBQOSA-N 0 3 306.450 3.001 20 10 DGCDHN Cc1cccc(O)c1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000876635213 623665550 /nfs/dbraw/zinc/66/55/50/623665550.db2.gz PUXIQTDBARLYBE-INIZCTEOSA-N 0 3 301.386 3.475 20 10 DGCDHN Cc1nc(N2CCN(Cc3c(C)cccc3O)CC2)sc1C ZINC000876769055 623701328 /nfs/dbraw/zinc/70/13/28/623701328.db2.gz RBHHUMSVQXQMQA-UHFFFAOYSA-N 0 3 317.458 3.096 20 10 DGCDHN [O-]c1c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811587 623713613 /nfs/dbraw/zinc/71/36/13/623713613.db2.gz LNODRYMGUBTMHH-BLLLJJGKSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811587 623713617 /nfs/dbraw/zinc/71/36/17/623713617.db2.gz LNODRYMGUBTMHH-BLLLJJGKSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811588 623713649 /nfs/dbraw/zinc/71/36/49/623713649.db2.gz LNODRYMGUBTMHH-LRDDRELGSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811588 623713651 /nfs/dbraw/zinc/71/36/51/623713651.db2.gz LNODRYMGUBTMHH-LRDDRELGSA-N 0 3 322.399 3.119 20 10 DGCDHN Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c([O-])c1 ZINC000876901925 623740515 /nfs/dbraw/zinc/74/05/15/623740515.db2.gz KFJMQSKJNXABJC-UHFFFAOYSA-N 0 3 310.397 3.117 20 10 DGCDHN COc1cccc(N2CC[C@H]([NH2+]Cc3c(C)cccc3[O-])C2)c1 ZINC000877004912 623764506 /nfs/dbraw/zinc/76/45/06/623764506.db2.gz NPCHJDGHMOQZDD-HNNXBMFYSA-N 0 3 312.413 3.078 20 10 DGCDHN COc1ccc(O)c(CNCc2cc(OC)c(O)cc2Cl)c1 ZINC000877036004 623772304 /nfs/dbraw/zinc/77/23/04/623772304.db2.gz LZDHNWQTXBEROF-UHFFFAOYSA-N 0 3 323.776 3.058 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c([O-])c1 ZINC000877375004 623861428 /nfs/dbraw/zinc/86/14/28/623861428.db2.gz QVNJYYPPVKDBCT-KRWDZBQOSA-N 0 3 305.805 3.351 20 10 DGCDHN CCN(C(=O)c1cccc2c1CCNC2)c1ccc(F)c(C)c1 ZINC000877453799 623890238 /nfs/dbraw/zinc/89/02/38/623890238.db2.gz HUKIUFOPXCEPDM-UHFFFAOYSA-N 0 3 312.388 3.447 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000877505867 623916057 /nfs/dbraw/zinc/91/60/57/623916057.db2.gz JFEVUZFGWMRTIJ-ZDUSSCGKSA-N 0 3 308.422 3.094 20 10 DGCDHN C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC000877538912 623933166 /nfs/dbraw/zinc/93/31/66/623933166.db2.gz HTUCXPJMNVPVCH-AWEZNQCLSA-N 0 3 324.415 3.125 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000877545327 623935877 /nfs/dbraw/zinc/93/58/77/623935877.db2.gz FWUMHPAXPXIIJC-AWEZNQCLSA-N 0 3 300.377 3.208 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000877731863 624007784 /nfs/dbraw/zinc/00/77/84/624007784.db2.gz XOLBPBFRODTHHH-HDJSIYSDSA-N 0 3 320.433 3.094 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccccc1[O-] ZINC000877757190 624023187 /nfs/dbraw/zinc/02/31/87/624023187.db2.gz MSECTWUKOKEUTN-ZDUSSCGKSA-N 0 3 310.397 3.152 20 10 DGCDHN Cc1ccnc(OC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000783593792 624372721 /nfs/dbraw/zinc/37/27/21/624372721.db2.gz HFWKKMKFYKKHMD-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000783603785 624374245 /nfs/dbraw/zinc/37/42/45/624374245.db2.gz YJESENIFSMLNPK-UHFFFAOYSA-N 0 3 312.413 3.484 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)c1ccccc1[O-] ZINC000879648777 624623014 /nfs/dbraw/zinc/62/30/14/624623014.db2.gz DGYJYGCCIPXEHB-KGLIPLIRSA-N 0 3 304.434 3.222 20 10 DGCDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccccc1O ZINC000879648822 624623127 /nfs/dbraw/zinc/62/31/27/624623127.db2.gz AXYFXNCMWOOSMS-LLVKDONJSA-N 0 3 302.330 3.160 20 10 DGCDHN Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648897 624623168 /nfs/dbraw/zinc/62/31/68/624623168.db2.gz FVSABJYJMPTMMX-CVEARBPZSA-N 0 3 315.413 3.100 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC000879650622 624624207 /nfs/dbraw/zinc/62/42/07/624624207.db2.gz KBBIKOKXJJCUHR-JKSUJKDBSA-N 0 3 324.424 3.205 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000879651384 624624341 /nfs/dbraw/zinc/62/43/41/624624341.db2.gz SWICOOPWZOVMNF-VBKZILBWSA-N 0 3 324.424 3.310 20 10 DGCDHN COC(=O)c1oc([C@@H](C)N[C@@H](C)c2ccccc2O)cc1C ZINC000879650614 624624619 /nfs/dbraw/zinc/62/46/19/624624619.db2.gz JRJRIKJVAKZZKV-NWDGAFQWSA-N 0 3 303.358 3.492 20 10 DGCDHN Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652020 624626423 /nfs/dbraw/zinc/62/64/23/624626423.db2.gz UCFNYDQDEGDIJY-GJZGRUSLSA-N 0 3 312.413 3.056 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cccn(CC)c2=O)cc1 ZINC000788523535 625205877 /nfs/dbraw/zinc/20/58/77/625205877.db2.gz DWUIVKJTTAMHGB-UHFFFAOYSA-N 0 3 313.445 3.004 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000788800846 625270572 /nfs/dbraw/zinc/27/05/72/625270572.db2.gz IORSGGJQZALHIP-ZNMIVQPWSA-N 0 3 305.418 3.391 20 10 DGCDHN CC(C)N(CC[NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000790946492 625719442 /nfs/dbraw/zinc/71/94/42/625719442.db2.gz CFVDPLOYTFQBJT-UHFFFAOYSA-N 0 3 302.821 3.393 20 10 DGCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000790962283 625723147 /nfs/dbraw/zinc/72/31/47/625723147.db2.gz KIDDJWPRNUMBTO-UHFFFAOYSA-N 0 3 312.816 3.291 20 10 DGCDHN [O-]c1ccc(Cl)c(F)c1CNC1CC[NH+](C2CCC2)CC1 ZINC000790962283 625723153 /nfs/dbraw/zinc/72/31/53/625723153.db2.gz KIDDJWPRNUMBTO-UHFFFAOYSA-N 0 3 312.816 3.291 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)c([O-])c1 ZINC000800294072 626349364 /nfs/dbraw/zinc/34/93/64/626349364.db2.gz VRSSYYJXVBRNNS-KRWDZBQOSA-N 0 3 305.418 3.230 20 10 DGCDHN COCCOCCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808687561 626370557 /nfs/dbraw/zinc/37/05/57/626370557.db2.gz NCVAEIMAJPCDEZ-ZDUSSCGKSA-N 0 3 315.841 3.448 20 10 DGCDHN CCCCN(Cc1ccccc1O)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000801546204 626409271 /nfs/dbraw/zinc/40/92/71/626409271.db2.gz JPNLMGFHLYBHII-HZPDHXFCSA-N 0 3 318.461 3.394 20 10 DGCDHN COc1ccc(O)c(CN2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000802656408 626565128 /nfs/dbraw/zinc/56/51/28/626565128.db2.gz KVNPHABMAYUCGG-SFHVURJKSA-N 0 3 301.361 3.472 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccoc2)c2c1c(F)ccc2[O-] ZINC000883276987 626633910 /nfs/dbraw/zinc/63/39/10/626633910.db2.gz SELNELLLGWSGNY-UXIGCNINSA-N 0 3 319.376 3.113 20 10 DGCDHN CC[C@H]1CN(C)CC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000840094531 626756631 /nfs/dbraw/zinc/75/66/31/626756631.db2.gz VAYIAHSIDLQLRG-HNNXBMFYSA-N 0 3 314.429 3.080 20 10 DGCDHN CC[C@H]1CN(C)CC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000840094531 626756632 /nfs/dbraw/zinc/75/66/32/626756632.db2.gz VAYIAHSIDLQLRG-HNNXBMFYSA-N 0 3 314.429 3.080 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c([O-])c1 ZINC000808444552 626825705 /nfs/dbraw/zinc/82/57/05/626825705.db2.gz IJUDLJLZXOKHTA-SCLBCKFNSA-N 0 3 301.386 3.003 20 10 DGCDHN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808682495 626849376 /nfs/dbraw/zinc/84/93/76/626849376.db2.gz RVYZWQWAJPTMNH-RYUDHWBXSA-N 0 3 312.841 3.309 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNC(=O)C2CCC2)c1[O-] ZINC000808706241 626851619 /nfs/dbraw/zinc/85/16/19/626851619.db2.gz FMSKZDBOPSZMAD-LBPRGKRZSA-N 0 3 324.852 3.311 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)NCc2ccnc(N(C)C)n2)c1O ZINC000808710417 626852609 /nfs/dbraw/zinc/85/26/09/626852609.db2.gz PVJAFYIFIFZMPU-NSHDSACASA-N 0 3 320.824 3.061 20 10 DGCDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])c(C)c1OC ZINC000809548774 626919248 /nfs/dbraw/zinc/91/92/48/626919248.db2.gz JEKSUEDWVSPEET-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])c(C)c1OC ZINC000809548774 626919252 /nfs/dbraw/zinc/91/92/52/626919252.db2.gz JEKSUEDWVSPEET-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000809690620 626936916 /nfs/dbraw/zinc/93/69/16/626936916.db2.gz AQLSPRMHHGTYDY-INIZCTEOSA-N 0 3 320.433 3.273 20 10 DGCDHN CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000809690620 626936918 /nfs/dbraw/zinc/93/69/18/626936918.db2.gz AQLSPRMHHGTYDY-INIZCTEOSA-N 0 3 320.433 3.273 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]Cc2cnn3ccccc23)c1[O-] ZINC000809700442 626938608 /nfs/dbraw/zinc/93/86/08/626938608.db2.gz GVUNMHBSEMIALC-UHFFFAOYSA-N 0 3 301.777 3.292 20 10 DGCDHN CCCNC(=O)OC[C@@H]1CCCCN1Cc1cc(F)ccc1O ZINC000809726865 626942555 /nfs/dbraw/zinc/94/25/55/626942555.db2.gz WOGOCWRJJIQKMH-HNNXBMFYSA-N 0 3 324.396 3.022 20 10 DGCDHN CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000809726865 626942558 /nfs/dbraw/zinc/94/25/58/626942558.db2.gz WOGOCWRJJIQKMH-HNNXBMFYSA-N 0 3 324.396 3.022 20 10 DGCDHN CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000809726865 626942561 /nfs/dbraw/zinc/94/25/61/626942561.db2.gz WOGOCWRJJIQKMH-HNNXBMFYSA-N 0 3 324.396 3.022 20 10 DGCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000886548269 627160836 /nfs/dbraw/zinc/16/08/36/627160836.db2.gz ZTWKNQGPTHKFPL-ZNMIVQPWSA-N 0 3 324.440 3.071 20 10 DGCDHN C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1c([O-])cccc1F ZINC000886548268 627161087 /nfs/dbraw/zinc/16/10/87/627161087.db2.gz ZTWKNQGPTHKFPL-RBSFLKMASA-N 0 3 324.440 3.071 20 10 DGCDHN CC[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])OC ZINC000811518357 627287190 /nfs/dbraw/zinc/28/71/90/627287190.db2.gz LLXOFVRPRPWRPP-QGZVFWFLSA-N 0 3 315.413 3.486 20 10 DGCDHN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@H]1CCOC1 ZINC000812296241 627368115 /nfs/dbraw/zinc/36/81/15/627368115.db2.gz NYYPSTAINYSDBX-AWEZNQCLSA-N 0 3 301.386 3.165 20 10 DGCDHN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@H]1CCOC1 ZINC000812296241 627368117 /nfs/dbraw/zinc/36/81/17/627368117.db2.gz NYYPSTAINYSDBX-AWEZNQCLSA-N 0 3 301.386 3.165 20 10 DGCDHN CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)(C)C ZINC000812893381 627433628 /nfs/dbraw/zinc/43/36/28/627433628.db2.gz SPOHQOVIRZVHGN-UHFFFAOYSA-N 0 3 319.493 3.079 20 10 DGCDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000813108572 627450549 /nfs/dbraw/zinc/45/05/49/627450549.db2.gz HQJDIYIQCJPSCQ-NSHDSACASA-N 0 3 320.320 3.055 20 10 DGCDHN C[C@H](NC1COCCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000813878711 627518358 /nfs/dbraw/zinc/51/83/58/627518358.db2.gz FPJIIGZPBNYKKI-INIZCTEOSA-N 0 3 318.461 3.133 20 10 DGCDHN COc1ccc(O)c(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000814178522 627547138 /nfs/dbraw/zinc/54/71/38/627547138.db2.gz SYJIORHVLILSHK-UHFFFAOYSA-N 0 3 316.357 3.334 20 10 DGCDHN CN(C)c1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1F ZINC000814178221 627547335 /nfs/dbraw/zinc/54/73/35/627547335.db2.gz HUURNVMDUGRNTM-MRXNPFEDSA-N 0 3 306.425 3.140 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2nccnc2C)c1[O-] ZINC000815651634 627694562 /nfs/dbraw/zinc/69/45/62/627694562.db2.gz YPQITWGEAPEMLD-LLVKDONJSA-N 0 3 305.809 3.346 20 10 DGCDHN Cc1nccnc1CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000815651062 627694687 /nfs/dbraw/zinc/69/46/87/627694687.db2.gz JCAPRSXHFWRGGE-HZMBPMFUSA-N 0 3 301.365 3.010 20 10 DGCDHN Cn1nccc1-c1ccccc1C[N@H+](C)Cc1ccccc1[O-] ZINC000816492968 627796520 /nfs/dbraw/zinc/79/65/20/627796520.db2.gz KMCORETZNIJHRZ-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN Cn1nccc1-c1ccccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC000816492968 627796525 /nfs/dbraw/zinc/79/65/25/627796525.db2.gz KMCORETZNIJHRZ-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN CC(C)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CN1CCCC1 ZINC000816591605 627812413 /nfs/dbraw/zinc/81/24/13/627812413.db2.gz IZBRDCWSFUNPAK-UHFFFAOYSA-N 0 3 314.832 3.396 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1[O-] ZINC000816662466 627821822 /nfs/dbraw/zinc/82/18/22/627821822.db2.gz PZEAIUNOAXCEEF-SFHVURJKSA-N 0 3 307.434 3.021 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1[O-] ZINC000816662466 627821824 /nfs/dbraw/zinc/82/18/24/627821824.db2.gz PZEAIUNOAXCEEF-SFHVURJKSA-N 0 3 307.434 3.021 20 10 DGCDHN COC1([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000817419359 627898373 /nfs/dbraw/zinc/89/83/73/627898373.db2.gz GEWLRFNVTASYQE-LBPRGKRZSA-N 0 3 313.825 3.028 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1[O-] ZINC000817880393 627952440 /nfs/dbraw/zinc/95/24/40/627952440.db2.gz RNAHNRIXWXZKJN-SUNKGSAMSA-N 0 3 324.852 3.053 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817965378 627977551 /nfs/dbraw/zinc/97/75/51/627977551.db2.gz PVDCGRABTMDXCS-CHWSQXEVSA-N 0 3 302.340 3.189 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969233 627979141 /nfs/dbraw/zinc/97/91/41/627979141.db2.gz AAWDAGMUEPNMFB-VYUIOLGVSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972046 627979685 /nfs/dbraw/zinc/97/96/85/627979685.db2.gz SREHQZPIAIMDDI-KXUCPTDWSA-N 0 3 303.233 3.490 20 10 DGCDHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl ZINC000818356007 628017679 /nfs/dbraw/zinc/01/76/79/628017679.db2.gz HRFABOQRSHFYGV-MLGOLLRUSA-N 0 3 306.837 3.380 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c(C)c1OC ZINC000927121115 628020715 /nfs/dbraw/zinc/02/07/15/628020715.db2.gz CILVKNZZUQWIRI-OAHLLOKOSA-N 0 3 313.397 3.495 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1C[C@@](CO)(c3ccccc3)C1)CC2 ZINC000927154188 628027455 /nfs/dbraw/zinc/02/74/55/628027455.db2.gz BFSDFCBDLZJYKD-ABSDTBQOSA-N 0 3 309.409 3.062 20 10 DGCDHN CCOc1ccc(C[NH2+]CC(C)(C)c2ccccn2)c([O-])c1 ZINC000824583258 628673848 /nfs/dbraw/zinc/67/38/48/628673848.db2.gz KFOSEPPPMIJACT-UHFFFAOYSA-N 0 3 300.402 3.253 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824715520 628686286 /nfs/dbraw/zinc/68/62/86/628686286.db2.gz LDGNIECBXXPLRB-BZUAXINKSA-N 0 3 309.837 3.479 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824715520 628686289 /nfs/dbraw/zinc/68/62/89/628686289.db2.gz LDGNIECBXXPLRB-BZUAXINKSA-N 0 3 309.837 3.479 20 10 DGCDHN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824854548 628700818 /nfs/dbraw/zinc/70/08/18/628700818.db2.gz UVIYLRKZWWHNMA-KGLIPLIRSA-N 0 3 311.809 3.175 20 10 DGCDHN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824903211 628704352 /nfs/dbraw/zinc/70/43/52/628704352.db2.gz BQBXZUSQEYRJNZ-CHWSQXEVSA-N 0 3 314.223 3.120 20 10 DGCDHN CCOc1cccc(CN2CCOCC23CCCCC3)c1O ZINC000825099052 628727636 /nfs/dbraw/zinc/72/76/36/628727636.db2.gz SLXYMPMOADYQEO-UHFFFAOYSA-N 0 3 305.418 3.326 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC000825104179 628728038 /nfs/dbraw/zinc/72/80/38/628728038.db2.gz QEQXVQFTPDDVNC-IRXDYDNUSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC000825104179 628728042 /nfs/dbraw/zinc/72/80/42/628728042.db2.gz QEQXVQFTPDDVNC-IRXDYDNUSA-N 0 3 305.418 3.180 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C2CCN(C3CCC3)CC2)cc1Cl ZINC000825143201 628731640 /nfs/dbraw/zinc/73/16/40/628731640.db2.gz FIECIXOYNHEVFJ-UHFFFAOYSA-N 0 3 308.853 3.461 20 10 DGCDHN Cc1cc([O-])c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1Cl ZINC000825885141 628806871 /nfs/dbraw/zinc/80/68/71/628806871.db2.gz DGAADLAAVHADHQ-DZGCQCFKSA-N 0 3 308.853 3.413 20 10 DGCDHN Fc1cc(CN2C[C@@H]3CCCC[C@@H]32)ccc1N1CCOCC1 ZINC000826538643 628857593 /nfs/dbraw/zinc/85/75/93/628857593.db2.gz HWNHFNCFSBRQRB-RDJZCZTQSA-N 0 3 304.409 3.037 20 10 DGCDHN Cc1cc(CN(C)[C@H](C)C[S@](C)=O)ccc1N1CCCCC1 ZINC000828785153 629092041 /nfs/dbraw/zinc/09/20/41/629092041.db2.gz CLMKNTQHTFUVHB-ZHRRBRCNSA-N 0 3 322.518 3.184 20 10 DGCDHN COCC[C@@H](Cc1ccco1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834761966 629774696 /nfs/dbraw/zinc/77/46/96/629774696.db2.gz WLKBWKVIZWWGOX-GOEBONIOSA-N 0 3 301.386 3.210 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)CC2 ZINC000834802980 629782059 /nfs/dbraw/zinc/78/20/59/629782059.db2.gz HPUAYENINLTAJJ-GOEBONIOSA-N 0 3 317.816 3.399 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)CC2 ZINC000834803016 629782239 /nfs/dbraw/zinc/78/22/39/629782239.db2.gz IGUZGZSFSIUMHX-FUHIMQAGSA-N 0 3 309.409 3.135 20 10 DGCDHN CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])Cc1ccccc1 ZINC000834857052 629791476 /nfs/dbraw/zinc/79/14/76/629791476.db2.gz YLDBOEYZJBXBFF-BBRMVZONSA-N 0 3 303.377 3.440 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1cc(F)ccc1[O-] ZINC000834890097 629798709 /nfs/dbraw/zinc/79/87/09/629798709.db2.gz CWXFBLWNFOGIMB-XLWVJDPXSA-N 0 3 316.376 3.497 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1[O-] ZINC000834896766 629800960 /nfs/dbraw/zinc/80/09/60/629800960.db2.gz NOCJJTXWPZIOJB-VXGBXAGGSA-N 0 3 307.825 3.369 20 10 DGCDHN CC[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC ZINC000834909766 629806552 /nfs/dbraw/zinc/80/65/52/629806552.db2.gz ATGNGCNLOXEEJI-YJBOKZPZSA-N 0 3 317.477 3.242 20 10 DGCDHN Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1C ZINC000834910137 629806972 /nfs/dbraw/zinc/80/69/72/629806972.db2.gz FRFVTJLHHOOLIW-QZTJIDSGSA-N 0 3 311.425 3.190 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccccc1[O-] ZINC000834912584 629807696 /nfs/dbraw/zinc/80/76/96/629807696.db2.gz SMCSUQIPPGUYRR-ZFWWWQNUSA-N 0 3 313.401 3.164 20 10 DGCDHN CN(C)c1ccc(/C=C/CN(C)CCc2nccs2)cc1 ZINC000835028158 629829164 /nfs/dbraw/zinc/82/91/64/629829164.db2.gz JJXVXFFQSXHXSE-SNAWJCMRSA-N 0 3 301.459 3.397 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000835044391 629834146 /nfs/dbraw/zinc/83/41/46/629834146.db2.gz ZKEATWMGWUGNCX-SBUVDCAVSA-N 0 3 308.425 3.014 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CCOCC3(CCC3)C2)cc1 ZINC000835048147 629835533 /nfs/dbraw/zinc/83/55/33/629835533.db2.gz MIOZPVLBXIMLKH-HWKANZROSA-N 0 3 300.446 3.268 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CCOCC3(CCC3)C2)cc1 ZINC000835048148 629835865 /nfs/dbraw/zinc/83/58/65/629835865.db2.gz MIOZPVLBXIMLKH-HYXAFXHYSA-N 0 3 300.446 3.268 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1[O-] ZINC000835085971 629847736 /nfs/dbraw/zinc/84/77/36/629847736.db2.gz ADWVOYQVHJAYNT-MFKMUULPSA-N 0 3 314.223 3.120 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000840879643 630370976 /nfs/dbraw/zinc/37/09/76/630370976.db2.gz FRBMBTHYJPWVFS-DGCLKSJQSA-N 0 3 307.340 3.097 20 10 DGCDHN C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000840879644 630371325 /nfs/dbraw/zinc/37/13/25/630371325.db2.gz FRBMBTHYJPWVFS-WCQYABFASA-N 0 3 307.340 3.097 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000840895423 630374724 /nfs/dbraw/zinc/37/47/24/630374724.db2.gz LRNBEAAHXAZSIL-ZQIUZPCESA-N 0 3 303.446 3.473 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@H](CO)c1ccc(F)cc1 ZINC000840934542 630380500 /nfs/dbraw/zinc/38/05/00/630380500.db2.gz SAAPRDFPPCPGFK-GOSISDBHSA-N 0 3 302.393 3.023 20 10 DGCDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841298325 630424614 /nfs/dbraw/zinc/42/46/14/630424614.db2.gz ADTBJRFFWLMIBO-WFASDCNBSA-N 0 3 316.405 3.113 20 10 DGCDHN OCC[C@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000842925205 630594072 /nfs/dbraw/zinc/59/40/72/630594072.db2.gz WVBMTDICQTXUNZ-HOTGVXAUSA-N 0 3 301.361 3.232 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045988 630608391 /nfs/dbraw/zinc/60/83/91/630608391.db2.gz SACSSDKKCSADLR-CZUORRHYSA-N 0 3 308.853 3.318 20 10 DGCDHN CCOc1ccc(O)c(CN2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000843435897 630658871 /nfs/dbraw/zinc/65/88/71/630658871.db2.gz ZQQHQJUDNOQJFK-CQSZACIVSA-N 0 3 305.418 3.324 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCS[C@@H]2C)c1[O-] ZINC000843435202 630658885 /nfs/dbraw/zinc/65/88/85/630658885.db2.gz RBFWGAAXZDVSPV-SKDRFNHKSA-N 0 3 316.264 3.447 20 10 DGCDHN Oc1cccc2c1CC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000105487222 630718429 /nfs/dbraw/zinc/71/84/29/630718429.db2.gz GNWIDNIJLGYLMA-IBGZPJMESA-N 0 3 324.424 3.006 20 10 DGCDHN Cc1cc(O)c(CN[C@@H](c2ccccc2F)[C@H](C)O)cc1C ZINC000846015719 631206194 /nfs/dbraw/zinc/20/61/94/631206194.db2.gz CXAJMBQRODCRNW-SCLBCKFNSA-N 0 3 303.377 3.360 20 10 DGCDHN CCOc1ccc(O)c(CN(Cc2cnn(CC)c2)C(C)C)c1 ZINC000846054953 631208444 /nfs/dbraw/zinc/20/84/44/631208444.db2.gz ICVLILMQZYGDNB-UHFFFAOYSA-N 0 3 317.433 3.418 20 10 DGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H](CO)CCF ZINC000846210026 631214986 /nfs/dbraw/zinc/21/49/86/631214986.db2.gz WFFPZWYUZGWFSF-SJLPKXTDSA-N 0 3 317.404 3.376 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])c1[O-] ZINC000846226379 631215812 /nfs/dbraw/zinc/21/58/12/631215812.db2.gz LSUNYZQWXQGEQJ-ZBEGNZNMSA-N 0 3 324.852 3.198 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C)[C@H]2CC[NH3+])c1[O-] ZINC000846226378 631215883 /nfs/dbraw/zinc/21/58/83/631215883.db2.gz LSUNYZQWXQGEQJ-MEDUHNTESA-N 0 3 324.852 3.198 20 10 DGCDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000848526417 631678200 /nfs/dbraw/zinc/67/82/00/631678200.db2.gz ZOIJTVZQAVPOKC-MRXNPFEDSA-N 0 3 310.353 3.307 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCF)c1[O-] ZINC000848536430 631682796 /nfs/dbraw/zinc/68/27/96/631682796.db2.gz RWYAMRTYBJNUCJ-QMMMGPOBSA-N 0 3 306.175 3.174 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000848558469 631691591 /nfs/dbraw/zinc/69/15/91/631691591.db2.gz QKHMLLKXOOVTTG-CBZIJGRNSA-N 0 3 320.477 3.239 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000848558474 631692077 /nfs/dbraw/zinc/69/20/77/631692077.db2.gz QKHMLLKXOOVTTG-XLMAVXFVSA-N 0 3 320.477 3.239 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c([O-])c1 ZINC000848559146 631692776 /nfs/dbraw/zinc/69/27/76/631692776.db2.gz AVHKQJJNTJZUAI-ZWKOTPCHSA-N 0 3 305.418 3.228 20 10 DGCDHN CCc1cccc(CN[C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000848901464 631779255 /nfs/dbraw/zinc/77/92/55/631779255.db2.gz SQBWVVFDTQBQFI-VGSWGCGISA-N 0 3 317.454 3.164 20 10 DGCDHN CCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000848915829 631785190 /nfs/dbraw/zinc/78/51/90/631785190.db2.gz MKJKXHXPXCVEFO-KSZLIROESA-N 0 3 303.446 3.470 20 10 DGCDHN CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000848915829 631785198 /nfs/dbraw/zinc/78/51/98/631785198.db2.gz MKJKXHXPXCVEFO-KSZLIROESA-N 0 3 303.446 3.470 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCc1cn(C)c2ccccc12 ZINC000850380220 632132964 /nfs/dbraw/zinc/13/29/64/632132964.db2.gz QSCUZQNJPIJHLD-UHFFFAOYSA-N 0 3 310.397 3.225 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CC2=CCCC2)c1[O-] ZINC000850396019 632138900 /nfs/dbraw/zinc/13/89/00/632138900.db2.gz NYVRKCCSNFFIAX-UHFFFAOYSA-N 0 3 312.207 3.363 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000850411589 632144224 /nfs/dbraw/zinc/14/42/24/632144224.db2.gz GCBXEDXFDFINGF-LIRRHRJNSA-N 0 3 315.413 3.045 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2cccc(OC)c2C)c([O-])c1 ZINC000850416190 632145956 /nfs/dbraw/zinc/14/59/56/632145956.db2.gz DDMIRQKCYNLUEH-UHFFFAOYSA-N 0 3 301.386 3.398 20 10 DGCDHN C[C@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850419495 632147006 /nfs/dbraw/zinc/14/70/06/632147006.db2.gz FTIIERRDEIXJNE-UGSOOPFHSA-N 0 3 302.393 3.103 20 10 DGCDHN CON(C)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000850479460 632165220 /nfs/dbraw/zinc/16/52/20/632165220.db2.gz ULPOWKJPYZGEJZ-GOSISDBHSA-N 0 3 314.429 3.149 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1ccccc1[O-] ZINC000850484023 632165803 /nfs/dbraw/zinc/16/58/03/632165803.db2.gz ASNYBICVLXWGEX-GOSISDBHSA-N 0 3 312.413 3.269 20 10 DGCDHN COC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(OC)c1 ZINC000850515179 632176679 /nfs/dbraw/zinc/17/66/79/632176679.db2.gz UBCCMHJETZWKAD-GUYCJALGSA-N 0 3 301.386 3.439 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1[O-] ZINC000850520870 632178164 /nfs/dbraw/zinc/17/81/64/632178164.db2.gz HWRGGOMVHRMPGK-CABZTGNLSA-N 0 3 305.752 3.429 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2c(C3CC3)cnn2C)c2c1c(F)ccc2[O-] ZINC000850535598 632184852 /nfs/dbraw/zinc/18/48/52/632184852.db2.gz XRRHKDLLUYEDOC-HZMBPMFUSA-N 0 3 315.392 3.480 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c([O-])c1 ZINC000850540583 632186623 /nfs/dbraw/zinc/18/66/23/632186623.db2.gz NHESMJQFDMFLSP-QILLFSRXSA-N 0 3 313.445 3.496 20 10 DGCDHN CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C)cc1[O-] ZINC000850563384 632195404 /nfs/dbraw/zinc/19/54/04/632195404.db2.gz XCJPOEAHLOGZEP-VQIMIIECSA-N 0 3 321.461 3.309 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)CC2 ZINC000850580065 632201213 /nfs/dbraw/zinc/20/12/13/632201213.db2.gz GJLUTNQETMGJNZ-HIFRSBDPSA-N 0 3 323.314 3.120 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1COC(C)(C)O1 ZINC000851716497 632472995 /nfs/dbraw/zinc/47/29/95/632472995.db2.gz NKWWIZNMCUEQRB-SFHVURJKSA-N 0 3 318.461 3.260 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1COC(C)(C)O1 ZINC000851716496 632473220 /nfs/dbraw/zinc/47/32/20/632473220.db2.gz NKWWIZNMCUEQRB-GOSISDBHSA-N 0 3 318.461 3.260 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@H]1CCCO1 ZINC000851841370 632506826 /nfs/dbraw/zinc/50/68/26/632506826.db2.gz PUKGCEFSOLFVSS-RANZSIQMSA-N 0 3 301.430 3.419 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@H]1CCCO1 ZINC000851841370 632506828 /nfs/dbraw/zinc/50/68/28/632506828.db2.gz PUKGCEFSOLFVSS-RANZSIQMSA-N 0 3 301.430 3.419 20 10 DGCDHN CN(Cc1ccccc1)[C@H](C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000185222700 660208918 /nfs/dbraw/zinc/20/89/18/660208918.db2.gz IHJJEPVIGNQVSF-LJQANCHMSA-N 0 3 310.441 3.392 20 10 DGCDHN C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cc(F)ccc1[O-] ZINC000186033326 660262184 /nfs/dbraw/zinc/26/21/84/660262184.db2.gz GSWBSCGKOGLIHC-ZDUSSCGKSA-N 0 3 322.424 3.269 20 10 DGCDHN CO[C@@](C)(C[NH2+]Cc1ccccc1[O-])COCc1ccccc1 ZINC000702820087 660742184 /nfs/dbraw/zinc/74/21/84/660742184.db2.gz SBDKMFOVCYHANP-IBGZPJMESA-N 0 3 315.413 3.104 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000706406939 660856976 /nfs/dbraw/zinc/85/69/76/660856976.db2.gz MAWLXPNVZJBCFV-QWHCGFSZSA-N 0 3 308.422 3.298 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@H]2CCO)c(C(F)(F)F)c1 ZINC000793093606 661004668 /nfs/dbraw/zinc/00/46/68/661004668.db2.gz PUERVQUZYZELOU-ZDUSSCGKSA-N 0 3 316.367 3.118 20 10 DGCDHN CCOCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793389081 661029151 /nfs/dbraw/zinc/02/91/51/661029151.db2.gz UZIUVNCVFSNHLZ-UHFFFAOYSA-N 0 3 317.385 3.063 20 10 DGCDHN COc1ccc(CNCc2cc3ccccc3nc2OC)c(O)c1 ZINC000793386237 661029198 /nfs/dbraw/zinc/02/91/98/661029198.db2.gz JGYHYJBNHCTRAX-UHFFFAOYSA-N 0 3 324.380 3.247 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2CCO)c1[O-] ZINC000793608061 661049240 /nfs/dbraw/zinc/04/92/40/661049240.db2.gz HMZPOQSOIRYUNT-CQSZACIVSA-N 0 3 313.825 3.181 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCCCC[C@@H]2CCO)c1[O-] ZINC000793608061 661049243 /nfs/dbraw/zinc/04/92/43/661049243.db2.gz HMZPOQSOIRYUNT-CQSZACIVSA-N 0 3 313.825 3.181 20 10 DGCDHN C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@@H](C2CC2)O1 ZINC000794661319 661096792 /nfs/dbraw/zinc/09/67/92/661096792.db2.gz ZCRXWSVQQYBNAG-DJJJIMSYSA-N 0 3 301.430 3.270 20 10 DGCDHN Cc1cc(O)c(CN2CCO[C@]3(CCO[C@@H]3C)C2)cc1C(C)C ZINC000794661302 661097186 /nfs/dbraw/zinc/09/71/86/661097186.db2.gz HDJYCBQYZMVQGV-DNVCBOLYSA-N 0 3 319.445 3.204 20 10 DGCDHN CCCC[N@H+](CCc1cnn(CC)c1)Cc1ccccc1[O-] ZINC000794580803 661092150 /nfs/dbraw/zinc/09/21/50/661092150.db2.gz FFAPVFRZFJUYNN-UHFFFAOYSA-N 0 3 301.434 3.453 20 10 DGCDHN CCCC[N@@H+](CCc1cnn(CC)c1)Cc1ccccc1[O-] ZINC000794580803 661092152 /nfs/dbraw/zinc/09/21/52/661092152.db2.gz FFAPVFRZFJUYNN-UHFFFAOYSA-N 0 3 301.434 3.453 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(C)cc1[O-] ZINC000794794874 661105751 /nfs/dbraw/zinc/10/57/51/661105751.db2.gz RQOAHUCEXTUOOO-CRAIPNDOSA-N 0 3 315.413 3.181 20 10 DGCDHN Cc1ncccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160200981 655526039 /nfs/dbraw/zinc/52/60/39/655526039.db2.gz ASXJYHAZSNUDJY-SFHVURJKSA-N 0 3 312.413 3.277 20 10 DGCDHN CCCC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000158151149 655774719 /nfs/dbraw/zinc/77/47/19/655774719.db2.gz WGHUMUSZOYTXNQ-UHFFFAOYSA-N 0 3 302.212 3.395 20 10 DGCDHN CCCC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000158151149 655774720 /nfs/dbraw/zinc/77/47/20/655774720.db2.gz WGHUMUSZOYTXNQ-UHFFFAOYSA-N 0 3 302.212 3.395 20 10 DGCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000176981127 655970761 /nfs/dbraw/zinc/97/07/61/655970761.db2.gz BIJCVLASEBSJIZ-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)c([O-])c1 ZINC000186474098 656131926 /nfs/dbraw/zinc/13/19/26/656131926.db2.gz CTRCTRQNFBYCEM-CQSZACIVSA-N 0 3 309.413 3.481 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000724943321 656530536 /nfs/dbraw/zinc/53/05/36/656530536.db2.gz NPUORPFEHXCHDU-STQMWFEESA-N 0 3 306.406 3.052 20 10 DGCDHN COc1ccc2c(c1)CN(Cc1cc(C)cc(OC)c1O)CC2 ZINC000178866855 657093583 /nfs/dbraw/zinc/09/35/83/657093583.db2.gz OSJZQIBYJPEBLE-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[O-] ZINC000320188095 657430468 /nfs/dbraw/zinc/43/04/68/657430468.db2.gz OZGKWRAXXFYHRQ-FZMZJTMJSA-N 0 3 311.385 3.364 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000303268029 657525459 /nfs/dbraw/zinc/52/54/59/657525459.db2.gz FVYOKSWSBHEVBD-RHSMWYFYSA-N 0 3 314.404 3.456 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@H](O)c2ccco2)cc1F ZINC000304488592 657636540 /nfs/dbraw/zinc/63/65/40/657636540.db2.gz CJWQCOJRRCPAND-INIZCTEOSA-N 0 3 306.381 3.088 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3C[C@H](C)O)c2c1 ZINC000305274160 657699660 /nfs/dbraw/zinc/69/96/60/657699660.db2.gz ZRMUCZXKQQXOJR-ZFWWWQNUSA-N 0 3 315.413 3.289 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3C[C@H](C)O)c2c1 ZINC000305274160 657699667 /nfs/dbraw/zinc/69/96/67/657699667.db2.gz ZRMUCZXKQQXOJR-ZFWWWQNUSA-N 0 3 315.413 3.289 20 10 DGCDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000227440914 659154623 /nfs/dbraw/zinc/15/46/23/659154623.db2.gz QRZMUUVFQMFKII-OAHLLOKOSA-N 0 3 320.433 3.271 20 10 DGCDHN CCCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1ccccc1O ZINC000174372382 659429837 /nfs/dbraw/zinc/42/98/37/659429837.db2.gz SEXOQRJURNCEKB-IYBDPMFKSA-N 0 3 318.461 3.394 20 10 DGCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000180195815 659955393 /nfs/dbraw/zinc/95/53/93/659955393.db2.gz PHZKVPWULMVWKX-GOSISDBHSA-N 0 3 303.377 3.395 20 10 DGCDHN CC[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000180195815 659955394 /nfs/dbraw/zinc/95/53/94/659955394.db2.gz PHZKVPWULMVWKX-GOSISDBHSA-N 0 3 303.377 3.395 20 10 DGCDHN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000180205646 659956069 /nfs/dbraw/zinc/95/60/69/659956069.db2.gz DELLYVUOTSLPJX-QGZVFWFLSA-N 0 3 303.377 3.304 20 10 DGCDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000180205646 659956071 /nfs/dbraw/zinc/95/60/71/659956071.db2.gz DELLYVUOTSLPJX-QGZVFWFLSA-N 0 3 303.377 3.304 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000182361071 660045737 /nfs/dbraw/zinc/04/57/37/660045737.db2.gz RPUCGTLPABGKMK-LLVKDONJSA-N 0 3 300.333 3.262 20 10 DGCDHN COC(C)(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183158480 660103067 /nfs/dbraw/zinc/10/30/67/660103067.db2.gz STAGKVJONMMMDU-UHFFFAOYSA-N 0 3 315.413 3.486 20 10 DGCDHN C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000183485865 660117939 /nfs/dbraw/zinc/11/79/39/660117939.db2.gz ODDNMJLNILFHCZ-CYBMUJFWSA-N 0 3 320.433 3.442 20 10 DGCDHN CC[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000155504597 661848299 /nfs/dbraw/zinc/84/82/99/661848299.db2.gz AALQHJLBAJVWGX-KRWDZBQOSA-N 0 3 312.413 3.139 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC=CO1 ZINC000193605386 662141637 /nfs/dbraw/zinc/14/16/37/662141637.db2.gz AENZKKSRNXWOJH-IRXDYDNUSA-N 0 3 303.402 3.066 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC=CO1 ZINC000193605386 662141638 /nfs/dbraw/zinc/14/16/38/662141638.db2.gz AENZKKSRNXWOJH-IRXDYDNUSA-N 0 3 303.402 3.066 20 10 DGCDHN C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000090221163 662257497 /nfs/dbraw/zinc/25/74/97/662257497.db2.gz GWJRRLXDDPKBFR-PEBXRYMYSA-N 0 3 316.470 3.341 20 10 DGCDHN COc1ccc(CCC[N@H+](C)Cc2cccc(OC)c2[O-])cc1 ZINC000092163791 662327911 /nfs/dbraw/zinc/32/79/11/662327911.db2.gz GEHJWFJZPITQRT-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COc1ccc(CCC[N@@H+](C)Cc2cccc(OC)c2[O-])cc1 ZINC000092163791 662327913 /nfs/dbraw/zinc/32/79/13/662327913.db2.gz GEHJWFJZPITQRT-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000186765006 685113612 /nfs/dbraw/zinc/11/36/12/685113612.db2.gz YNCCISSTZGQUHU-KGLIPLIRSA-N 0 3 320.433 3.218 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000382452248 685163244 /nfs/dbraw/zinc/16/32/44/685163244.db2.gz GIPKYDQFHHVTMQ-ZFWWWQNUSA-N 0 3 320.433 3.175 20 10 DGCDHN COCCCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000397193570 685229855 /nfs/dbraw/zinc/22/98/55/685229855.db2.gz MIESHEQDFBCLNK-UHFFFAOYSA-N 0 3 316.239 3.322 20 10 DGCDHN COCCCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000397193570 685229859 /nfs/dbraw/zinc/22/98/59/685229859.db2.gz MIESHEQDFBCLNK-UHFFFAOYSA-N 0 3 316.239 3.322 20 10 DGCDHN C[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC000399181851 685240064 /nfs/dbraw/zinc/24/00/64/685240064.db2.gz LWKFJBOEJGBVLO-ZFWWWQNUSA-N 0 3 320.433 3.270 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c([O-])c1 ZINC001660648545 1196508476 /nfs/dbraw/zinc/50/84/76/1196508476.db2.gz HREKYUBKUFQQBY-CQSZACIVSA-N 0 3 303.324 3.484 20 10 DGCDHN Cc1ccsc1[C@@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC001620825752 1192219272 /nfs/dbraw/zinc/21/92/72/1192219272.db2.gz HZLHZMCZHFHMJU-CQSZACIVSA-N 0 3 308.422 3.085 20 10 DGCDHN COc1ccnc(NCc2cc(C)cc(Br)c2O)c1 ZINC001620887582 1192552519 /nfs/dbraw/zinc/55/25/19/1192552519.db2.gz JAYLSQIVEMBYBN-UHFFFAOYSA-N 0 3 323.190 3.479 20 10 DGCDHN CCCCN(Cc1c2c(nn1C)CCC2)Cc1ccccc1O ZINC001352054157 1180288270 /nfs/dbraw/zinc/28/82/70/1180288270.db2.gz JMPHNVXWOJFNSO-UHFFFAOYSA-N 0 3 313.445 3.417 20 10 DGCDHN CC[C@](O)(CN[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC001352739370 1180389545 /nfs/dbraw/zinc/38/95/45/1180389545.db2.gz DJBLZDAEECWOKH-RISCZKNCSA-N 0 3 304.356 3.107 20 10 DGCDHN CO[C@]1(C(F)(F)F)CCN(Cc2cc(C)c(C)cc2O)C1 ZINC001353197880 1180492050 /nfs/dbraw/zinc/49/20/50/1180492050.db2.gz ATUPIIKJMKDRID-CQSZACIVSA-N 0 3 303.324 3.162 20 10 DGCDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](c1nncn1C)C(C)C ZINC001353932182 1180687109 /nfs/dbraw/zinc/68/71/09/1180687109.db2.gz GXVYTGFVVAFUKS-PBFPGSCMSA-N 0 3 314.433 3.364 20 10 DGCDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](c1nncn1C)C(C)C ZINC001353932180 1180687210 /nfs/dbraw/zinc/68/72/10/1180687210.db2.gz GXVYTGFVVAFUKS-IIYDPXPESA-N 0 3 314.433 3.364 20 10 DGCDHN O[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001461127530 1182771674 /nfs/dbraw/zinc/77/16/74/1182771674.db2.gz ANAWNHHENSVCBN-UXHICEINSA-N 0 3 308.425 3.035 20 10 DGCDHN C[C@H](C[NH+](C)C)[C@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC001462463395 1182956897 /nfs/dbraw/zinc/95/68/97/1182956897.db2.gz VBQKJLZCGOHQJM-MLGOLLRUSA-N 0 3 312.404 3.223 20 10 DGCDHN C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463395 1182956901 /nfs/dbraw/zinc/95/69/01/1182956901.db2.gz VBQKJLZCGOHQJM-MLGOLLRUSA-N 0 3 312.404 3.223 20 10 DGCDHN C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463395 1182956904 /nfs/dbraw/zinc/95/69/04/1182956904.db2.gz VBQKJLZCGOHQJM-MLGOLLRUSA-N 0 3 312.404 3.223 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c([O-])c1 ZINC001474454398 1183924211 /nfs/dbraw/zinc/92/42/11/1183924211.db2.gz YPGNIGGTSRUARC-SFHVURJKSA-N 0 3 305.418 3.100 20 10 DGCDHN CC/C(C)=C(\C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539707383 1188200180 /nfs/dbraw/zinc/20/01/80/1188200180.db2.gz RDXPSTGOAUOBCN-JJJPLKNQSA-N 0 3 317.477 3.218 20 10 DGCDHN CC/C(C)=C(/C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539707384 1188200243 /nfs/dbraw/zinc/20/02/43/1188200243.db2.gz RDXPSTGOAUOBCN-KGUUONHRSA-N 0 3 317.477 3.218 20 10 DGCDHN C[N@@H+]1CCN(Cc2cc(F)cc(F)c2[O-])[C@@H](c2ccccc2)C1 ZINC001621112245 1193803639 /nfs/dbraw/zinc/80/36/39/1193803639.db2.gz ICFOQVVBHNBNFB-QGZVFWFLSA-N 0 3 318.367 3.159 20 10 DGCDHN C[N@H+]1CCN(Cc2cc(F)cc(F)c2[O-])[C@@H](c2ccccc2)C1 ZINC001621112245 1193803641 /nfs/dbraw/zinc/80/36/41/1193803641.db2.gz ICFOQVVBHNBNFB-QGZVFWFLSA-N 0 3 318.367 3.159 20 10 DGCDHN COC(=O)c1c(CN2CC[C@H](C)[C@H]2C)c2cc(F)ccc2n1C ZINC001621136600 1193807132 /nfs/dbraw/zinc/80/71/32/1193807132.db2.gz VXYDQCVYGQTPKA-NWDGAFQWSA-N 0 3 318.392 3.334 20 10 DGCDHN COC(=O)/C=C\c1ccc(CN[C@@H](C)c2ccccc2O)o1 ZINC001621481980 1193848978 /nfs/dbraw/zinc/84/89/78/1193848978.db2.gz GRRJMBRWORUZJH-PRDAAYKISA-N 0 3 301.342 3.022 20 10 DGCDHN COC[C@@H](NCc1cc(OC)ccc1O)c1ccc(F)cc1 ZINC001621561917 1193858467 /nfs/dbraw/zinc/85/84/67/1193858467.db2.gz GZAHQLAYRWRUKV-MRXNPFEDSA-N 0 3 305.349 3.017 20 10 DGCDHN CN(Cc1ccc([O-])c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC001652133511 1195551114 /nfs/dbraw/zinc/55/11/14/1195551114.db2.gz LJHUXGTYSPIWCU-UHFFFAOYSA-N 0 3 318.392 3.108 20 10 DGCDHN Oc1ccc(F)cc1CNCc1cc(Cl)cc2c1OCC2 ZINC001652139516 1195552604 /nfs/dbraw/zinc/55/26/04/1195552604.db2.gz KNDRLKSDPYHGQK-UHFFFAOYSA-N 0 3 307.752 3.409 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001652139516 1195552648 /nfs/dbraw/zinc/55/26/48/1195552648.db2.gz KNDRLKSDPYHGQK-UHFFFAOYSA-N 0 3 307.752 3.409 20 10 DGCDHN Fc1ccc(-c2n[nH]cc2CNCc2ccc3c(c2)CCO3)cc1 ZINC001655476671 1195922200 /nfs/dbraw/zinc/92/22/00/1195922200.db2.gz QEBVYLUSSGPGNI-UHFFFAOYSA-N 0 3 323.371 3.441 20 10 DGCDHN Cc1ccc(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)c(O)c1 ZINC001657453056 1196142934 /nfs/dbraw/zinc/14/29/34/1196142934.db2.gz GGHGZQMFWBGDRM-GOSISDBHSA-N 0 3 324.424 3.328 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccc2c(c1)OCCCO2 ZINC001658922735 1196320241 /nfs/dbraw/zinc/32/02/41/1196320241.db2.gz ODGXHJFMIHQOCJ-UHFFFAOYSA-N 0 3 317.360 3.025 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccnn1-c1ccccc1 ZINC001658926605 1196320477 /nfs/dbraw/zinc/32/04/77/1196320477.db2.gz NKQYGDAZQRADCT-UHFFFAOYSA-N 0 3 311.360 3.049 20 10 DGCDHN Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1F ZINC001659815638 1196417300 /nfs/dbraw/zinc/41/73/00/1196417300.db2.gz PGLVXHNBZQKICI-LBPRGKRZSA-N 0 3 302.349 3.129 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c([O-])c1 ZINC001660648545 1196508474 /nfs/dbraw/zinc/50/84/74/1196508474.db2.gz HREKYUBKUFQQBY-CQSZACIVSA-N 0 3 303.324 3.484 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2COc3c(F)cc(F)cc3C2)c([O-])c1 ZINC001660881600 1196538295 /nfs/dbraw/zinc/53/82/95/1196538295.db2.gz BRDUKCMXARTMOG-CQSZACIVSA-N 0 3 305.324 3.072 20 10 DGCDHN CN(C)c1ccc(CNCc2ccc3c(c2)COC3)cc1F ZINC001661736814 1196638092 /nfs/dbraw/zinc/63/80/92/1196638092.db2.gz VJDOGWNKBPBDAM-UHFFFAOYSA-N 0 3 300.377 3.212 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2OCc3ccccc32)cc1F ZINC001663475106 1196879322 /nfs/dbraw/zinc/87/93/22/1196879322.db2.gz VKDUBBAAWWEDNL-GOSISDBHSA-N 0 3 318.367 3.392 20 10 DGCDHN CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000318300620 1199830440 /nfs/dbraw/zinc/83/04/40/1199830440.db2.gz NOUPBPAQTZNHIC-WBVHZDCISA-N 0 3 309.450 3.076 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H](OC)C2CCCCC2)c([O-])c1 ZINC001206810497 1081694540 /nfs/dbraw/zinc/69/45/40/1081694540.db2.gz SLZBEGOZTMYDDY-SFHVURJKSA-N 0 3 307.434 3.394 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC001183980734 1084080756 /nfs/dbraw/zinc/08/07/56/1084080756.db2.gz DVQIUJDGISFYJS-ZDUSSCGKSA-N 0 3 307.434 3.393 20 10 DGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H](N)C(C)(C)C ZINC001157434250 1089965423 /nfs/dbraw/zinc/96/54/23/1089965423.db2.gz OALXKYLHOZACPV-JKSUJKDBSA-N 0 3 318.461 3.122 20 10 DGCDHN CCOc1cccc(N2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC001203558593 1090615231 /nfs/dbraw/zinc/61/52/31/1090615231.db2.gz OFRJCBBOGYJCOD-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN CCCc1noc([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203558661 1090616493 /nfs/dbraw/zinc/61/64/93/1090616493.db2.gz SXDIBKJYAFKFGT-CQSZACIVSA-N 0 3 301.390 3.107 20 10 DGCDHN CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203558661 1090616497 /nfs/dbraw/zinc/61/64/97/1090616497.db2.gz SXDIBKJYAFKFGT-CQSZACIVSA-N 0 3 301.390 3.107 20 10 DGCDHN O=C1CC2(CC[NH+](Cc3ccccc3[O-])CC2)c2ccccc2N1 ZINC001203556386 1090755751 /nfs/dbraw/zinc/75/57/51/1090755751.db2.gz OHCGXXKVCVAVNO-UHFFFAOYSA-N 0 3 322.408 3.268 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001203561658 1090756461 /nfs/dbraw/zinc/75/64/61/1090756461.db2.gz XRLRTYHJLLEOQB-MJGOQNOKSA-N 0 3 308.425 3.099 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001203561658 1090756471 /nfs/dbraw/zinc/75/64/71/1090756471.db2.gz XRLRTYHJLLEOQB-MJGOQNOKSA-N 0 3 308.425 3.099 20 10 DGCDHN CCOC(=O)C1(C(C)C)CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203560680 1090756674 /nfs/dbraw/zinc/75/66/74/1090756674.db2.gz GGRHWZKPSGZFFH-UHFFFAOYSA-N 0 3 305.418 3.194 20 10 DGCDHN CN(C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203561250 1090756984 /nfs/dbraw/zinc/75/69/84/1090756984.db2.gz NPWQHDMVWQFYRJ-UHFFFAOYSA-N 0 3 324.424 3.129 20 10 DGCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001203628519 1090769372 /nfs/dbraw/zinc/76/93/72/1090769372.db2.gz AHKMRSPRDXWSAQ-GOSISDBHSA-N 0 3 313.397 3.444 20 10 DGCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001203628519 1090769375 /nfs/dbraw/zinc/76/93/75/1090769375.db2.gz AHKMRSPRDXWSAQ-GOSISDBHSA-N 0 3 313.397 3.444 20 10 DGCDHN COc1cccc([C@@H]2CCCN(Cc3ccc(O)c(O)c3)C2)c1 ZINC001203881651 1090826500 /nfs/dbraw/zinc/82/65/00/1090826500.db2.gz SDYMUCNKASJAKR-MRXNPFEDSA-N 0 3 313.397 3.486 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC(C)(C(=O)OC)CC2)cc1 ZINC001203938953 1090843940 /nfs/dbraw/zinc/84/39/40/1090843940.db2.gz GOZGSKQKVJDPIQ-UHFFFAOYSA-N 0 3 318.461 3.308 20 10 DGCDHN CCOC(OCC)[C@@H](C)NCc1c(C)c2ccccc2n1C ZINC001204137436 1090906988 /nfs/dbraw/zinc/90/69/88/1090906988.db2.gz VZNDINVLJGBFIM-CQSZACIVSA-N 0 3 304.434 3.364 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001204277721 1090938392 /nfs/dbraw/zinc/93/83/92/1090938392.db2.gz JAYFDNKSZQVPJU-UHFFFAOYSA-N 0 3 311.381 3.024 20 10 DGCDHN COc1cccc(C2CC[NH+](Cc3ccc(O)cc3[O-])CC2)c1 ZINC001204278257 1090939364 /nfs/dbraw/zinc/93/93/64/1090939364.db2.gz ZYYRAMUZRYIMDL-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN Cc1ccc(N2CCN(Cc3ccc(O)cc3O)CC2)c(C)c1 ZINC001204279175 1090939431 /nfs/dbraw/zinc/93/94/31/1090939431.db2.gz SFBDZFRDPATCAD-UHFFFAOYSA-N 0 3 312.413 3.037 20 10 DGCDHN CC[C@@H](C)[C@H](CN1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC001204388416 1090959427 /nfs/dbraw/zinc/95/94/27/1090959427.db2.gz CAPFJGWFKOKWDK-KDOFPFPSSA-N 0 3 324.440 3.017 20 10 DGCDHN C[C@@]1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCCO1 ZINC001205101918 1091102632 /nfs/dbraw/zinc/10/26/32/1091102632.db2.gz YOHVOEMNGXQVSA-HKUYNNGSSA-N 0 3 319.445 3.332 20 10 DGCDHN C[C@@]1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCCO1 ZINC001205101918 1091102633 /nfs/dbraw/zinc/10/26/33/1091102633.db2.gz YOHVOEMNGXQVSA-HKUYNNGSSA-N 0 3 319.445 3.332 20 10 DGCDHN Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c([O-])c1 ZINC001205254357 1091151192 /nfs/dbraw/zinc/15/11/92/1091151192.db2.gz ZSEBGMDYSPPEJO-IBGZPJMESA-N 0 3 311.425 3.474 20 10 DGCDHN Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c([O-])c1 ZINC001205254357 1091151194 /nfs/dbraw/zinc/15/11/94/1091151194.db2.gz ZSEBGMDYSPPEJO-IBGZPJMESA-N 0 3 311.425 3.474 20 10 DGCDHN CN1CCCc2cc(CN(CCO)Cc3cccs3)ccc21 ZINC001138358417 1091151882 /nfs/dbraw/zinc/15/18/82/1091151882.db2.gz QUDBIMHOYPIZGW-UHFFFAOYSA-N 0 3 316.470 3.125 20 10 DGCDHN CCN(CC)c1ccc(CN2C[C@H](C)N(C)C[C@H]2C)c(OC)c1 ZINC001138386688 1091161404 /nfs/dbraw/zinc/16/14/04/1091161404.db2.gz SWJJPKVVLHRKCX-JKSUJKDBSA-N 0 3 319.493 3.066 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@H]3COC[C@@H]3C2)c(OC)c1 ZINC001138386033 1091161424 /nfs/dbraw/zinc/16/14/24/1091161424.db2.gz FOMBMNUIMGFNCL-SJORKVTESA-N 0 3 318.461 3.010 20 10 DGCDHN CCC[C@@]1(C(=O)OCC)CCCN1Cc1ccc(C)cc1O ZINC001205589057 1091268704 /nfs/dbraw/zinc/26/87/04/1091268704.db2.gz JNTWQOBLHWIMJN-SFHVURJKSA-N 0 3 305.418 3.398 20 10 DGCDHN CC(C)c1ccc(O)c(CNCC(=O)Nc2cccc(F)c2)c1 ZINC001205706641 1091318731 /nfs/dbraw/zinc/31/87/31/1091318731.db2.gz QOSRWTIHDYTPDH-UHFFFAOYSA-N 0 3 316.376 3.383 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c([O-])c1 ZINC001205890347 1091395765 /nfs/dbraw/zinc/39/57/65/1091395765.db2.gz RZYPZXYRVJRDII-SJLPKXTDSA-N 0 3 309.450 3.088 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c([O-])c1 ZINC001205890345 1091396045 /nfs/dbraw/zinc/39/60/45/1091396045.db2.gz RZYPZXYRVJRDII-AEFFLSMTSA-N 0 3 309.450 3.088 20 10 DGCDHN CCN(Cc1ccccc1O)Cc1c(N)c(OC)ccc1OC ZINC001139277712 1091508002 /nfs/dbraw/zinc/50/80/02/1091508002.db2.gz HHSBBAGHPQBISN-UHFFFAOYSA-N 0 3 316.401 3.014 20 10 DGCDHN Cc1cc([O-])c(CN2CCCC[C@](F)(C[NH3+])C2)cc1Cl ZINC001206363660 1091599848 /nfs/dbraw/zinc/59/98/48/1091599848.db2.gz ZLEKFTLPFUAQSV-HNNXBMFYSA-N 0 3 300.805 3.007 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1ccccc1-c1cncnc1)CC2 ZINC001140021565 1091741773 /nfs/dbraw/zinc/74/17/73/1091741773.db2.gz VXCVMAALODTUNF-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccccc1-c1cncnc1)CC2 ZINC001140021565 1091741776 /nfs/dbraw/zinc/74/17/76/1091741776.db2.gz VXCVMAALODTUNF-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN Cc1nccn1-c1ccccc1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001140027100 1091743362 /nfs/dbraw/zinc/74/33/62/1091743362.db2.gz YIHKMFSBWZNDTC-UHFFFAOYSA-N 0 3 319.408 3.445 20 10 DGCDHN Cc1nccn1-c1ccccc1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001140027100 1091743368 /nfs/dbraw/zinc/74/33/68/1091743368.db2.gz YIHKMFSBWZNDTC-UHFFFAOYSA-N 0 3 319.408 3.445 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001140055727 1091751504 /nfs/dbraw/zinc/75/15/04/1091751504.db2.gz RCOCITVNVJHXGF-MRXNPFEDSA-N 0 3 305.324 3.324 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001140055727 1091751508 /nfs/dbraw/zinc/75/15/08/1091751508.db2.gz RCOCITVNVJHXGF-MRXNPFEDSA-N 0 3 305.324 3.324 20 10 DGCDHN Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC001140060160 1091754376 /nfs/dbraw/zinc/75/43/76/1091754376.db2.gz NJNPCYPVBDSIGV-INIZCTEOSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC001140060160 1091754380 /nfs/dbraw/zinc/75/43/80/1091754380.db2.gz NJNPCYPVBDSIGV-INIZCTEOSA-N 0 3 316.376 3.278 20 10 DGCDHN C[C@@]1(F)CCCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282878 1091814923 /nfs/dbraw/zinc/81/49/23/1091814923.db2.gz IXFQNVBNKJJSTF-LJQANCHMSA-N 0 3 320.452 3.362 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(-c3cncnc3)cc1)CC2 ZINC001140357366 1091841067 /nfs/dbraw/zinc/84/10/67/1091841067.db2.gz XMIKMYOYDMQTEE-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(-c3cncnc3)cc1)CC2 ZINC001140357366 1091841073 /nfs/dbraw/zinc/84/10/73/1091841073.db2.gz XMIKMYOYDMQTEE-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(c3ccc(F)c(F)c3)CC2)c1 ZINC001140617668 1091932741 /nfs/dbraw/zinc/93/27/41/1091932741.db2.gz VNPFBPDCMBWVQJ-UHFFFAOYSA-N 0 3 318.367 3.301 20 10 DGCDHN CC(C)NC(=O)c1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001140618048 1091933148 /nfs/dbraw/zinc/93/31/48/1091933148.db2.gz YLNBTJXZKJAFKX-UHFFFAOYSA-N 0 3 324.424 3.089 20 10 DGCDHN CC(C)NC(=O)c1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001140618048 1091933156 /nfs/dbraw/zinc/93/31/56/1091933156.db2.gz YLNBTJXZKJAFKX-UHFFFAOYSA-N 0 3 324.424 3.089 20 10 DGCDHN Cc1ccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c([O-])c1 ZINC001140953589 1092080058 /nfs/dbraw/zinc/08/00/58/1092080058.db2.gz CLLXAMKYTJIRFB-ROUUACIJSA-N 0 3 308.425 3.269 20 10 DGCDHN CC(=O)C1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076052 1092129094 /nfs/dbraw/zinc/12/90/94/1092129094.db2.gz KUEZKBJPDFAIMM-UHFFFAOYSA-N 0 3 312.457 3.186 20 10 DGCDHN CC/C=C\CCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC001208734121 1092481986 /nfs/dbraw/zinc/48/19/86/1092481986.db2.gz NTXWATNZIBYUFU-WAYWQWQTSA-N 0 3 304.434 3.182 20 10 DGCDHN CC[C@@H](C[N@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC001209466473 1092786147 /nfs/dbraw/zinc/78/61/47/1092786147.db2.gz OPWGPVWCNFZDBX-AWEZNQCLSA-N 0 3 308.422 3.127 20 10 DGCDHN CC[C@@H](C[N@@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC001209466473 1092786156 /nfs/dbraw/zinc/78/61/56/1092786156.db2.gz OPWGPVWCNFZDBX-AWEZNQCLSA-N 0 3 308.422 3.127 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210214886 1093080560 /nfs/dbraw/zinc/08/05/60/1093080560.db2.gz BMLYTEHTXSNNJZ-INIZCTEOSA-N 0 3 302.805 3.192 20 10 DGCDHN Nc1ccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC001120263949 1094397296 /nfs/dbraw/zinc/39/72/96/1094397296.db2.gz XQQQGRFOGXLBSU-QGZVFWFLSA-N 0 3 310.397 3.377 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170908155 1094908810 /nfs/dbraw/zinc/90/88/10/1094908810.db2.gz MNSTWHVAZUSHTK-ZDUSSCGKSA-N 0 3 303.789 3.398 20 10 DGCDHN COc1ccc(O)c(CN2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001117697500 1095805401 /nfs/dbraw/zinc/80/54/01/1095805401.db2.gz OBGHIUMUVFBJOS-UHFFFAOYSA-N 0 3 311.381 3.154 20 10 DGCDHN Cc1ncc(CCNCc2cc(F)c(N(C)C)cc2F)s1 ZINC001118801076 1096078395 /nfs/dbraw/zinc/07/83/95/1096078395.db2.gz LWSJAGRDEBEPLP-UHFFFAOYSA-N 0 3 311.401 3.128 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463224 1096892275 /nfs/dbraw/zinc/89/22/75/1096892275.db2.gz OSJBHZRPOCCBJP-ZDUSSCGKSA-N 0 3 305.324 3.023 20 10 DGCDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1[O-] ZINC001172971886 1097294759 /nfs/dbraw/zinc/29/47/59/1097294759.db2.gz RDTSXGPMRMSBNZ-AWEZNQCLSA-N 0 3 322.449 3.470 20 10 DGCDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1[O-] ZINC001172971886 1097294764 /nfs/dbraw/zinc/29/47/64/1097294764.db2.gz RDTSXGPMRMSBNZ-AWEZNQCLSA-N 0 3 322.449 3.470 20 10 DGCDHN Cc1cnccc1Nc1ccc(-c2ccc(N)c(O)c2)cc1O ZINC001174538261 1097748635 /nfs/dbraw/zinc/74/86/35/1097748635.db2.gz CHGCVUGNCKMGFD-UHFFFAOYSA-N 0 3 307.353 3.216 20 10 DGCDHN CN1CC[N@H+](Cc2c([O-])ccc3ccccc32)Cc2cccnc21 ZINC001231588734 1097785274 /nfs/dbraw/zinc/78/52/74/1097785274.db2.gz PIRMUPKZVFIUGU-UHFFFAOYSA-N 0 3 319.408 3.392 20 10 DGCDHN CN1CC[N@@H+](Cc2c([O-])ccc3ccccc32)Cc2cccnc21 ZINC001231588734 1097785277 /nfs/dbraw/zinc/78/52/77/1097785277.db2.gz PIRMUPKZVFIUGU-UHFFFAOYSA-N 0 3 319.408 3.392 20 10 DGCDHN Cc1cc(C)c(CN2CCC(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC001231845626 1097862227 /nfs/dbraw/zinc/86/22/27/1097862227.db2.gz DORIEVMTRUUYMI-UHFFFAOYSA-N 0 3 315.335 3.352 20 10 DGCDHN Cc1cc([O-])c(CN2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC001231869146 1097869207 /nfs/dbraw/zinc/86/92/07/1097869207.db2.gz JTVQDVCFLILNKE-UHFFFAOYSA-N 0 3 308.853 3.414 20 10 DGCDHN [O-]c1c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)ccc2ccccc21 ZINC001231879045 1097876974 /nfs/dbraw/zinc/87/69/74/1097876974.db2.gz TWODSFSJPODUMC-UHFFFAOYSA-N 0 3 322.452 3.463 20 10 DGCDHN [O-]c1c(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)ccc2ccccc21 ZINC001231879045 1097876981 /nfs/dbraw/zinc/87/69/81/1097876981.db2.gz TWODSFSJPODUMC-UHFFFAOYSA-N 0 3 322.452 3.463 20 10 DGCDHN CC1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232198341 1097963586 /nfs/dbraw/zinc/96/35/86/1097963586.db2.gz QVUBAKGOVHJYHC-UHFFFAOYSA-N 0 3 308.853 3.409 20 10 DGCDHN CC1([NH+]2CCCC2)CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232263172 1097985594 /nfs/dbraw/zinc/98/55/94/1097985594.db2.gz JCNPDNJKKAWPHK-UHFFFAOYSA-N 0 3 324.852 3.202 20 10 DGCDHN Cc1nc(N)ccc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001232344163 1098009395 /nfs/dbraw/zinc/00/93/95/1098009395.db2.gz LDUWPXZNWIRYHM-UHFFFAOYSA-N 0 3 310.445 3.204 20 10 DGCDHN COC(=O)c1c(CN2CCC[C@H](C)C2)c2ccccc2n1C ZINC001232400952 1098028268 /nfs/dbraw/zinc/02/82/68/1098028268.db2.gz BXQNBNLAXXZSMC-ZDUSSCGKSA-N 0 3 300.402 3.197 20 10 DGCDHN COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1F ZINC001175419849 1098040564 /nfs/dbraw/zinc/04/05/64/1098040564.db2.gz YQSNTZYUAVZTMV-LLVKDONJSA-N 0 3 303.333 3.169 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2cncc3cnccc32)cc1 ZINC001232653512 1098107077 /nfs/dbraw/zinc/10/70/77/1098107077.db2.gz GUWIAIFUHKTUSN-UHFFFAOYSA-N 0 3 306.413 3.328 20 10 DGCDHN C[C@H]1C(=O)CCN(Cc2ccc(N(C)C)cc2O)C12CCCC2 ZINC001232841675 1098150225 /nfs/dbraw/zinc/15/02/25/1098150225.db2.gz OCNXNJQLGDMESA-AWEZNQCLSA-N 0 3 316.445 3.182 20 10 DGCDHN Oc1cc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)cc(O)c1O ZINC001233017074 1098204634 /nfs/dbraw/zinc/20/46/34/1098204634.db2.gz REMOWOFLADDWIW-CYBMUJFWSA-N 0 3 319.788 3.446 20 10 DGCDHN CCOC(=O)c1c(CN2CC3CC(C3)C2)c2ccccc2n1C ZINC001233273351 1098269645 /nfs/dbraw/zinc/26/96/45/1098269645.db2.gz ZBNAHDCSUCKPFT-UHFFFAOYSA-N 0 3 312.413 3.197 20 10 DGCDHN COCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC001233289916 1098277426 /nfs/dbraw/zinc/27/74/26/1098277426.db2.gz XSLBFUJSLQXXQJ-CQSZACIVSA-N 0 3 313.825 3.445 20 10 DGCDHN COCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC001233289916 1098277430 /nfs/dbraw/zinc/27/74/30/1098277430.db2.gz XSLBFUJSLQXXQJ-CQSZACIVSA-N 0 3 313.825 3.445 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001233454021 1098339755 /nfs/dbraw/zinc/33/97/55/1098339755.db2.gz CVPHFAWVDPZDNX-AWEZNQCLSA-N 0 3 314.351 3.081 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001233454021 1098339762 /nfs/dbraw/zinc/33/97/62/1098339762.db2.gz CVPHFAWVDPZDNX-AWEZNQCLSA-N 0 3 314.351 3.081 20 10 DGCDHN Oc1cc(O)c(CN2CCC(c3ccccc3F)CC2)cc1O ZINC001233485153 1098345555 /nfs/dbraw/zinc/34/55/55/1098345555.db2.gz KVDAGAHCFYZYLD-UHFFFAOYSA-N 0 3 317.360 3.322 20 10 DGCDHN C[C@]1(O)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233727318 1098416856 /nfs/dbraw/zinc/41/68/56/1098416856.db2.gz MHQORIVSMMDZPK-AWEZNQCLSA-N 0 3 319.323 3.028 20 10 DGCDHN C[C@]1(O)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233727318 1098416860 /nfs/dbraw/zinc/41/68/60/1098416860.db2.gz MHQORIVSMMDZPK-AWEZNQCLSA-N 0 3 319.323 3.028 20 10 DGCDHN [O-]c1c(C[NH+]2CCC(CF)CC2)cccc1OC(F)(F)F ZINC001233760100 1098424168 /nfs/dbraw/zinc/42/41/68/1098424168.db2.gz BVABUMUGKLZHBK-UHFFFAOYSA-N 0 3 307.287 3.472 20 10 DGCDHN CC(C)O[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233768149 1098427592 /nfs/dbraw/zinc/42/75/92/1098427592.db2.gz KZHLSQBGYGIHHB-LBPRGKRZSA-N 0 3 319.323 3.290 20 10 DGCDHN CC(C)O[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233768149 1098427593 /nfs/dbraw/zinc/42/75/93/1098427593.db2.gz KZHLSQBGYGIHHB-LBPRGKRZSA-N 0 3 319.323 3.290 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@]34CCOC4)c2c1 ZINC001234562968 1098602301 /nfs/dbraw/zinc/60/23/01/1098602301.db2.gz YZCIWPMETCJFLP-LJQANCHMSA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@]34CCOC4)c2c1 ZINC001234562968 1098602304 /nfs/dbraw/zinc/60/23/04/1098602304.db2.gz YZCIWPMETCJFLP-LJQANCHMSA-N 0 3 313.397 3.309 20 10 DGCDHN CCN1CCN(c2ccc(OC(C3CC3)C3CC3)cc2)CC1 ZINC001234657937 1098634763 /nfs/dbraw/zinc/63/47/63/1098634763.db2.gz NDXHFSCJQKMYDA-UHFFFAOYSA-N 0 3 300.446 3.396 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H]3CCOC(C)(C)C3)cc2)CC1 ZINC001234661562 1098636004 /nfs/dbraw/zinc/63/60/04/1098636004.db2.gz UXNUISREWUHDDO-GOSISDBHSA-N 0 3 318.461 3.165 20 10 DGCDHN COC(=O)CC1C[NH+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234996644 1098738714 /nfs/dbraw/zinc/73/87/14/1098738714.db2.gz LIJJKEVGSHILAE-UHFFFAOYSA-N 0 3 311.381 3.054 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@]3(CC[NH2+]3)C2)cc1Cl ZINC001235068522 1098782801 /nfs/dbraw/zinc/78/28/01/1098782801.db2.gz ICHAAFDKFQGEAC-QGZVFWFLSA-N 0 3 308.853 3.281 20 10 DGCDHN Cc1cc([O-])c(CN2CCCC[C@]23CCC[NH2+]C3)cc1Cl ZINC001235178838 1098861934 /nfs/dbraw/zinc/86/19/34/1098861934.db2.gz PBSZBJFVYVAQEP-QGZVFWFLSA-N 0 3 308.853 3.462 20 10 DGCDHN C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001236066180 1099367037 /nfs/dbraw/zinc/36/70/37/1099367037.db2.gz GFSCICBNEJXKAW-LBPRGKRZSA-N 0 3 310.869 3.384 20 10 DGCDHN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@@H]1CCCC[C@@H]1N ZINC001236214082 1099470287 /nfs/dbraw/zinc/47/02/87/1099470287.db2.gz DXIFZAYVWGMKOW-QWHCGFSZSA-N 0 3 302.340 3.113 20 10 DGCDHN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@@H]1CCCC[C@@H]1N ZINC001236214082 1099470291 /nfs/dbraw/zinc/47/02/91/1099470291.db2.gz DXIFZAYVWGMKOW-QWHCGFSZSA-N 0 3 302.340 3.113 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236223237 1099482131 /nfs/dbraw/zinc/48/21/31/1099482131.db2.gz PEDDZOPBOLTXHB-AWEZNQCLSA-N 0 3 314.351 3.127 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236238948 1099491800 /nfs/dbraw/zinc/49/18/00/1099491800.db2.gz FLFKSCWSLCJZCN-AWEZNQCLSA-N 0 3 314.351 3.127 20 10 DGCDHN CC(C)(C)CN(Cc1c(F)ccc(F)c1[O-])C1CC[NH2+]CC1 ZINC001236458747 1099622387 /nfs/dbraw/zinc/62/23/87/1099622387.db2.gz XOARHJOOXHVQDU-UHFFFAOYSA-N 0 3 312.404 3.271 20 10 DGCDHN CC(C)(C)C[N@H+](Cc1c(F)ccc(F)c1[O-])C1CCNCC1 ZINC001236458747 1099622390 /nfs/dbraw/zinc/62/23/90/1099622390.db2.gz XOARHJOOXHVQDU-UHFFFAOYSA-N 0 3 312.404 3.271 20 10 DGCDHN CC(C)(C)C[N@@H+](Cc1c(F)ccc(F)c1[O-])C1CCNCC1 ZINC001236458747 1099622397 /nfs/dbraw/zinc/62/23/97/1099622397.db2.gz XOARHJOOXHVQDU-UHFFFAOYSA-N 0 3 312.404 3.271 20 10 DGCDHN CC(C)CN(Cc1cc(F)c(Cl)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236478406 1099636645 /nfs/dbraw/zinc/63/66/45/1099636645.db2.gz HOFHZGQQRRDWER-CYBMUJFWSA-N 0 3 314.832 3.395 20 10 DGCDHN COc1cc([O-])c(CN(C[C@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236602691 1099696854 /nfs/dbraw/zinc/69/68/54/1099696854.db2.gz ZWIYZLFNXAAZMO-LBPRGKRZSA-N 0 3 324.852 3.018 20 10 DGCDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])CC1CCC1 ZINC001236776159 1099778830 /nfs/dbraw/zinc/77/88/30/1099778830.db2.gz UGOUICNZLQTKJA-UHFFFAOYSA-N 0 3 300.196 3.092 20 10 DGCDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])CC1CCC1 ZINC001236776159 1099778836 /nfs/dbraw/zinc/77/88/36/1099778836.db2.gz UGOUICNZLQTKJA-UHFFFAOYSA-N 0 3 300.196 3.092 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001236783551 1099780650 /nfs/dbraw/zinc/78/06/50/1099780650.db2.gz MFAGPKLDEVIZBF-HNNXBMFYSA-N 0 3 317.351 3.234 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001236783551 1099780657 /nfs/dbraw/zinc/78/06/57/1099780657.db2.gz MFAGPKLDEVIZBF-HNNXBMFYSA-N 0 3 317.351 3.234 20 10 DGCDHN COc1ccc(CC[N@H+](C)Cc2c(C)cc(OC)cc2[O-])cc1 ZINC001236812024 1099801750 /nfs/dbraw/zinc/80/17/50/1099801750.db2.gz XYQQRWNWJLJQOR-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1ccc(CC[N@@H+](C)Cc2c(C)cc(OC)cc2[O-])cc1 ZINC001236812024 1099801758 /nfs/dbraw/zinc/80/17/58/1099801758.db2.gz XYQQRWNWJLJQOR-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN CCOC(=O)C1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236830248 1099814959 /nfs/dbraw/zinc/81/49/59/1099814959.db2.gz OFDPFOYQTNBWPP-UHFFFAOYSA-N 0 3 313.397 3.321 20 10 DGCDHN CC1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236930032 1099879521 /nfs/dbraw/zinc/87/95/21/1099879521.db2.gz VOUAIGXEEBIJOC-UHFFFAOYSA-N 0 3 308.853 3.409 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c([O-])c1 ZINC001237044362 1099942298 /nfs/dbraw/zinc/94/22/98/1099942298.db2.gz CHUUSWRRDWUEMR-OAHLLOKOSA-N 0 3 317.351 3.262 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c([O-])c1 ZINC001237044362 1099942303 /nfs/dbraw/zinc/94/23/03/1099942303.db2.gz CHUUSWRRDWUEMR-OAHLLOKOSA-N 0 3 317.351 3.262 20 10 DGCDHN CC(C)c1ccc(CN2CCC(O)(C(F)(F)F)CC2)c(O)c1 ZINC001237047006 1099942678 /nfs/dbraw/zinc/94/26/78/1099942678.db2.gz YJDQKUPEBUCZAN-UHFFFAOYSA-N 0 3 317.351 3.405 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001237050058 1099944515 /nfs/dbraw/zinc/94/45/15/1099944515.db2.gz NVFVDSKJGNTYFV-DGCLKSJQSA-N 0 3 321.314 3.371 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001237050058 1099944529 /nfs/dbraw/zinc/94/45/29/1099944529.db2.gz NVFVDSKJGNTYFV-DGCLKSJQSA-N 0 3 321.314 3.371 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC2(CC2)C1 ZINC001237054033 1099947281 /nfs/dbraw/zinc/94/72/81/1099947281.db2.gz SYYMTXAWZWJQTJ-UHFFFAOYSA-N 0 3 301.308 3.319 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC2(CC2)C1 ZINC001237054033 1099947292 /nfs/dbraw/zinc/94/72/92/1099947292.db2.gz SYYMTXAWZWJQTJ-UHFFFAOYSA-N 0 3 301.308 3.319 20 10 DGCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@@H]1CCCCO1 ZINC001237140092 1099989503 /nfs/dbraw/zinc/98/95/03/1099989503.db2.gz UOAGSQLDCYZNQH-ZDUSSCGKSA-N 0 3 303.324 3.412 20 10 DGCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@@H]1CCCCO1 ZINC001237140092 1099989511 /nfs/dbraw/zinc/98/95/11/1099989511.db2.gz UOAGSQLDCYZNQH-ZDUSSCGKSA-N 0 3 303.324 3.412 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@H]1O ZINC001237138150 1099990840 /nfs/dbraw/zinc/99/08/40/1099990840.db2.gz UGJHXSUKRYAUTN-MFKMUULPSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@H]1O ZINC001237138150 1099990853 /nfs/dbraw/zinc/99/08/53/1099990853.db2.gz UGJHXSUKRYAUTN-MFKMUULPSA-N 0 3 303.324 3.004 20 10 DGCDHN COc1cc([O-])c(CN(C2CCC2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001237155678 1100005394 /nfs/dbraw/zinc/00/53/94/1100005394.db2.gz KIYMXHCOUZTZMX-AWEZNQCLSA-N 0 3 324.852 3.161 20 10 DGCDHN c1c(CN2CCNC3=CCCC[C@H]32)cc2c3c1CCCN3CCC2 ZINC001237225451 1100041018 /nfs/dbraw/zinc/04/10/18/1100041018.db2.gz OWZGKPHCGUDZBO-HXUWFJFHSA-N 0 3 323.484 3.227 20 10 DGCDHN CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488399 1100141920 /nfs/dbraw/zinc/14/19/20/1100141920.db2.gz LIAQFCSDSXBDAA-IBGZPJMESA-N 0 3 316.445 3.068 20 10 DGCDHN CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488399 1100141923 /nfs/dbraw/zinc/14/19/23/1100141923.db2.gz LIAQFCSDSXBDAA-IBGZPJMESA-N 0 3 316.445 3.068 20 10 DGCDHN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237641278 1100199345 /nfs/dbraw/zinc/19/93/45/1100199345.db2.gz QSMLXILYOQEHSD-PXAZEXFGSA-N 0 3 301.361 3.153 20 10 DGCDHN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237641278 1100199347 /nfs/dbraw/zinc/19/93/47/1100199347.db2.gz QSMLXILYOQEHSD-PXAZEXFGSA-N 0 3 301.361 3.153 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@H]1O ZINC001237641237 1100199363 /nfs/dbraw/zinc/19/93/63/1100199363.db2.gz OXASWFNWEHSVAV-FZKQIMNGSA-N 0 3 315.388 3.401 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@H]1O ZINC001237641237 1100199368 /nfs/dbraw/zinc/19/93/68/1100199368.db2.gz OXASWFNWEHSVAV-FZKQIMNGSA-N 0 3 315.388 3.401 20 10 DGCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237682061 1100211895 /nfs/dbraw/zinc/21/18/95/1100211895.db2.gz WFEMNKQWEDPAEP-VXGBXAGGSA-N 0 3 311.809 3.128 20 10 DGCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237682061 1100211904 /nfs/dbraw/zinc/21/19/04/1100211904.db2.gz WFEMNKQWEDPAEP-VXGBXAGGSA-N 0 3 311.809 3.128 20 10 DGCDHN CC(=O)N1CC[C@H]([N@@H+](Cc2cc(Cl)cc(C)c2[O-])C(C)C)C1 ZINC001237688082 1100214020 /nfs/dbraw/zinc/21/40/20/1100214020.db2.gz FPEMOGBYAAZPCU-INIZCTEOSA-N 0 3 324.852 3.185 20 10 DGCDHN CC(=O)N1CC[C@H]([N@H+](Cc2cc(Cl)cc(C)c2[O-])C(C)C)C1 ZINC001237688082 1100214025 /nfs/dbraw/zinc/21/40/25/1100214025.db2.gz FPEMOGBYAAZPCU-INIZCTEOSA-N 0 3 324.852 3.185 20 10 DGCDHN CN(Cc1cccc(N2CCCCC2)n1)Cc1ccccc1O ZINC001238003315 1100322428 /nfs/dbraw/zinc/32/24/28/1100322428.db2.gz JVHKHGNZOGVINX-UHFFFAOYSA-N 0 3 311.429 3.410 20 10 DGCDHN Cc1cc(F)cc(CN2CCC(C(=O)OC(C)(C)C)CC2)c1O ZINC001238061381 1100345545 /nfs/dbraw/zinc/34/55/45/1100345545.db2.gz HJCWVUJHFGEIPX-UHFFFAOYSA-N 0 3 323.408 3.393 20 10 DGCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c1[O-] ZINC001238061333 1100346701 /nfs/dbraw/zinc/34/67/01/1100346701.db2.gz GRLMLPANMINZKU-QGZVFWFLSA-N 0 3 300.377 3.442 20 10 DGCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1[O-] ZINC001238061333 1100346710 /nfs/dbraw/zinc/34/67/10/1100346710.db2.gz GRLMLPANMINZKU-QGZVFWFLSA-N 0 3 300.377 3.442 20 10 DGCDHN CCOC(=O)C1(CC)CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238066750 1100348188 /nfs/dbraw/zinc/34/81/88/1100348188.db2.gz KIYGMIKGOUJBHC-UHFFFAOYSA-N 0 3 323.408 3.395 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)cc(C)c2[O-])C[C@H]1C ZINC001238067554 1100349448 /nfs/dbraw/zinc/34/94/48/1100349448.db2.gz UVKXOOZWYXPPST-KGLIPLIRSA-N 0 3 323.408 3.251 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C)c2[O-])C[C@H]1C ZINC001238067554 1100349458 /nfs/dbraw/zinc/34/94/58/1100349458.db2.gz UVKXOOZWYXPPST-KGLIPLIRSA-N 0 3 323.408 3.251 20 10 DGCDHN CCN(Cc1ccccc1O)Cc1ncc(C)c(OC)c1C ZINC001238175165 1100380773 /nfs/dbraw/zinc/38/07/73/1100380773.db2.gz MOQXTSMLCUNKKE-UHFFFAOYSA-N 0 3 300.402 3.435 20 10 DGCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)OC1CCCC1 ZINC001193583416 1100766421 /nfs/dbraw/zinc/76/64/21/1100766421.db2.gz KPBSJRGTSGENGS-UHFFFAOYSA-N 0 3 318.417 3.025 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001249208533 1105247927 /nfs/dbraw/zinc/24/79/27/1105247927.db2.gz UZLBHLGGPIHPRZ-NVXWUHKLSA-N 0 3 317.429 3.262 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001249208533 1105247929 /nfs/dbraw/zinc/24/79/29/1105247929.db2.gz UZLBHLGGPIHPRZ-NVXWUHKLSA-N 0 3 317.429 3.262 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@]1(C)O ZINC001249223856 1105249212 /nfs/dbraw/zinc/24/92/12/1105249212.db2.gz OYYSHJRPUCVHAM-YJYMSZOUSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@]1(C)O ZINC001249223856 1105249216 /nfs/dbraw/zinc/24/92/16/1105249216.db2.gz OYYSHJRPUCVHAM-YJYMSZOUSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224387 1105249357 /nfs/dbraw/zinc/24/93/57/1105249357.db2.gz YHQLYOURHXNJTC-KBPBESRZSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224387 1105249361 /nfs/dbraw/zinc/24/93/61/1105249361.db2.gz YHQLYOURHXNJTC-KBPBESRZSA-N 0 3 317.429 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@@](C)(O)CC3)ccc2O1 ZINC001249223437 1105249750 /nfs/dbraw/zinc/24/97/50/1105249750.db2.gz GGJSPPUSECEJGM-LJQANCHMSA-N 0 3 317.429 3.313 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@@](C)(O)CC3)ccc2O1 ZINC001249223437 1105249753 /nfs/dbraw/zinc/24/97/53/1105249753.db2.gz GGJSPPUSECEJGM-LJQANCHMSA-N 0 3 317.429 3.313 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C[C@@]1(C)O ZINC001249223218 1105250006 /nfs/dbraw/zinc/25/00/06/1105250006.db2.gz BMIQAUBUIRHMSL-BFUOFWGJSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C[C@@]1(C)O ZINC001249223218 1105250009 /nfs/dbraw/zinc/25/00/09/1105250009.db2.gz BMIQAUBUIRHMSL-BFUOFWGJSA-N 0 3 317.429 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CC4(C3)CCOCC4)ccc2O1 ZINC001249244870 1105256556 /nfs/dbraw/zinc/25/65/56/1105256556.db2.gz PFRLQMLLXLFFSY-UHFFFAOYSA-N 0 3 315.413 3.189 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@H](CCO)C3)ccc2O1 ZINC001249252832 1105257444 /nfs/dbraw/zinc/25/74/44/1105257444.db2.gz WSDIJDNPSQTXHC-CQSZACIVSA-N 0 3 317.429 3.171 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@H](CCO)C3)ccc2O1 ZINC001249252832 1105257448 /nfs/dbraw/zinc/25/74/48/1105257448.db2.gz WSDIJDNPSQTXHC-CQSZACIVSA-N 0 3 317.429 3.171 20 10 DGCDHN [NH3+][C@H](Cc1nc(-c2ccc3occc3c2)no1)c1ccccc1[O-] ZINC001249339085 1105270509 /nfs/dbraw/zinc/27/05/09/1105270509.db2.gz HXZLJCSIXVLIMY-CQSZACIVSA-N 0 3 321.336 3.431 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@H+](CC)C2CC2)c([O-])c1 ZINC001249724850 1105366940 /nfs/dbraw/zinc/36/69/40/1105366940.db2.gz LIPCATHAVVRFKT-UHFFFAOYSA-N 0 3 321.417 3.099 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@@H+](CC)C2CC2)c([O-])c1 ZINC001249724850 1105366948 /nfs/dbraw/zinc/36/69/48/1105366948.db2.gz LIPCATHAVVRFKT-UHFFFAOYSA-N 0 3 321.417 3.099 20 10 DGCDHN OC[C@@]1(NCc2ccc(N3CCCC3)cc2)CCc2ccccc21 ZINC001253279408 1105918830 /nfs/dbraw/zinc/91/88/30/1105918830.db2.gz FFVJAWHJFJCNQM-NRFANRHFSA-N 0 3 322.452 3.210 20 10 DGCDHN OC[C@@H]1c2ccccc2CCN1Cc1ccc(N2CCCC2)cc1 ZINC001254010454 1106009156 /nfs/dbraw/zinc/00/91/56/1106009156.db2.gz GAGFVUVIEFXAEB-OAQYLSRUSA-N 0 3 322.452 3.379 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC001254373331 1106062408 /nfs/dbraw/zinc/06/24/08/1106062408.db2.gz COHHNZZFKQTQEX-UHFFFAOYSA-N 0 3 321.808 3.088 20 10 DGCDHN C[C@H](CC(F)(F)F)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001255658034 1106287747 /nfs/dbraw/zinc/28/77/47/1106287747.db2.gz NMXPTFAYGPJMOF-CYBMUJFWSA-N 0 3 316.367 3.296 20 10 DGCDHN COc1ccc(N2CCN([C@H](C)Cc3ccco3)CC2)cc1 ZINC001258184494 1106690764 /nfs/dbraw/zinc/69/07/64/1106690764.db2.gz CRMVYCKFISRSJP-OAHLLOKOSA-N 0 3 300.402 3.041 20 10 DGCDHN COc1cc(Br)cc(CNC(C)(C)CF)c1O ZINC001320466642 1107013104 /nfs/dbraw/zinc/01/31/04/1107013104.db2.gz OGDVMFNUQKHDFV-UHFFFAOYSA-N 0 3 306.175 3.001 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)c([O-])c1 ZINC001321505940 1107368594 /nfs/dbraw/zinc/36/85/94/1107368594.db2.gz AOXYGTZESMZZRX-UHFFFAOYSA-N 0 3 323.396 3.091 20 10 DGCDHN CCOC[C@H](NCc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001261814336 1107535095 /nfs/dbraw/zinc/53/50/95/1107535095.db2.gz YOSWHGAGUHAPDD-HNNXBMFYSA-N 0 3 300.393 3.182 20 10 DGCDHN CCCO[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001308634050 1111453679 /nfs/dbraw/zinc/45/36/79/1111453679.db2.gz NBCOPWOOXQXQSV-OAHLLOKOSA-N 0 3 307.434 3.490 20 10 DGCDHN CCCO[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001308634050 1111453682 /nfs/dbraw/zinc/45/36/82/1111453682.db2.gz NBCOPWOOXQXQSV-OAHLLOKOSA-N 0 3 307.434 3.490 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c([O-])c1 ZINC001308758415 1111470928 /nfs/dbraw/zinc/47/09/28/1111470928.db2.gz SGYYLSANQTUSGM-CABCVRRESA-N 0 3 307.434 3.225 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c([O-])c1 ZINC001308758415 1111470931 /nfs/dbraw/zinc/47/09/31/1111470931.db2.gz SGYYLSANQTUSGM-CABCVRRESA-N 0 3 307.434 3.225 20 10 DGCDHN CN(C)c1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185639326 529780506 /nfs/dbraw/zinc/78/05/06/529780506.db2.gz QUDSLLQAIAREKA-UHFFFAOYSA-N 0 3 310.441 3.236 20 10 DGCDHN CN1CCCc2cc(CNCc3cc(O)cc(F)c3)ccc21 ZINC000185499683 530065815 /nfs/dbraw/zinc/06/58/15/530065815.db2.gz LJWCYIPHOVSFGX-UHFFFAOYSA-N 0 3 300.377 3.204 20 10 DGCDHN COc1ccc(CN(C)Cc2cccc(C)c2O)c(OC)c1 ZINC000179568300 432062889 /nfs/dbraw/zinc/06/28/89/432062889.db2.gz SBQQHIBVZNJDDW-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN CCCOc1ccc(CN[C@H]2CCCc3c[nH]nc32)c(O)c1 ZINC000268867151 432146582 /nfs/dbraw/zinc/14/65/82/432146582.db2.gz UHERJHNHZCACBK-HNNXBMFYSA-N 0 3 301.390 3.071 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1[O-] ZINC000060358324 184146437 /nfs/dbraw/zinc/14/64/37/184146437.db2.gz MAFSQGCTRBRJPD-OAHLLOKOSA-N 0 3 321.804 3.268 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)CC2 ZINC000296199993 285397613 /nfs/dbraw/zinc/39/76/13/285397613.db2.gz YWDVIJUBWJBULJ-HZPDHXFCSA-N 0 3 312.413 3.399 20 10 DGCDHN COCC[C@@H](NCc1cc(OC)ccc1O)c1ccc(C)o1 ZINC000272551600 130039925 /nfs/dbraw/zinc/03/99/25/130039925.db2.gz DBMWKPRJRXDBJJ-OAHLLOKOSA-N 0 3 305.374 3.170 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccccc1[O-] ZINC000272872663 130070925 /nfs/dbraw/zinc/07/09/25/130070925.db2.gz PALOAFCBKDSXPS-ZDUSSCGKSA-N 0 3 310.397 3.135 20 10 DGCDHN COc1ccc(OC)c(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000273412823 130118948 /nfs/dbraw/zinc/11/89/48/130118948.db2.gz QDWXNNBCTVRHFZ-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c([O-])c1C ZINC000273488134 130127899 /nfs/dbraw/zinc/12/78/99/130127899.db2.gz NRBHQSBHDFAASF-LSDHHAIUSA-N 0 3 305.418 3.345 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000273621458 130144940 /nfs/dbraw/zinc/14/49/40/130144940.db2.gz ZDWWRKJKRFTZKZ-ABAIWWIYSA-N 0 3 314.385 3.230 20 10 DGCDHN CN(C)C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000282953205 130948212 /nfs/dbraw/zinc/94/82/12/130948212.db2.gz XXKYCRRVSWLQLA-MRXNPFEDSA-N 0 3 304.821 3.438 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)c([O-])c1 ZINC000284167109 131054818 /nfs/dbraw/zinc/05/48/18/131054818.db2.gz QFQAAPXVHNOSSC-GFCCVEGCSA-N 0 3 304.356 3.154 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c([O-])c1C ZINC000285843419 131204915 /nfs/dbraw/zinc/20/49/15/131204915.db2.gz YPGFTKMSHBASOD-DDUZABMNSA-N 0 3 318.461 3.353 20 10 DGCDHN COc1ccc(O)c(CN(C)Cc2ccccc2N(C)C)c1 ZINC000290151082 131458580 /nfs/dbraw/zinc/45/85/80/131458580.db2.gz LDEZGIZUOPTRTH-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000290617034 131504097 /nfs/dbraw/zinc/50/40/97/131504097.db2.gz XALJGZJMEUELAM-AWEZNQCLSA-N 0 3 301.390 3.078 20 10 DGCDHN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCN(C(C)C)CC2)c1[O-] ZINC000079407027 400863868 /nfs/dbraw/zinc/86/38/68/400863868.db2.gz SAKKQXDBRCNOQM-UHFFFAOYSA-N 0 3 322.424 3.039 20 10 DGCDHN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCN(C(C)C)CC2)c1[O-] ZINC000079407027 400863874 /nfs/dbraw/zinc/86/38/74/400863874.db2.gz SAKKQXDBRCNOQM-UHFFFAOYSA-N 0 3 322.424 3.039 20 10 DGCDHN CC(=O)c1cc(F)cc(CN(C)C2CC[NH+](C(C)C)CC2)c1[O-] ZINC000079407027 400863879 /nfs/dbraw/zinc/86/38/79/400863879.db2.gz SAKKQXDBRCNOQM-UHFFFAOYSA-N 0 3 322.424 3.039 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000273621468 286339123 /nfs/dbraw/zinc/33/91/23/286339123.db2.gz ZDWWRKJKRFTZKZ-XHDPSFHLSA-N 0 3 314.385 3.230 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(NC(N)=O)cc1 ZINC000297581025 287071040 /nfs/dbraw/zinc/07/10/40/287071040.db2.gz HCXLWMASWJBAHC-ABAIWWIYSA-N 0 3 311.385 3.221 20 10 DGCDHN C[C@@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)c2ccccc2O1 ZINC000295064298 228856825 /nfs/dbraw/zinc/85/68/25/228856825.db2.gz OQRPKICGLJYQHJ-BXUZGUMPSA-N 0 3 313.353 3.123 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1cnc(N(C)C)s1 ZINC000355129884 229304531 /nfs/dbraw/zinc/30/45/31/229304531.db2.gz XJVXFBHTHAIGHS-UHFFFAOYSA-N 0 3 314.458 3.299 20 10 DGCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1nccs1 ZINC000157073694 276002828 /nfs/dbraw/zinc/00/28/28/276002828.db2.gz PKQBNTTXSDQDNS-LBPRGKRZSA-N 0 3 319.430 3.088 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000289814566 276379768 /nfs/dbraw/zinc/37/97/68/276379768.db2.gz SZPQCVHWADAXMK-GDBMZVCRSA-N 0 3 307.434 3.306 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000289814566 276379769 /nfs/dbraw/zinc/37/97/69/276379769.db2.gz SZPQCVHWADAXMK-GDBMZVCRSA-N 0 3 307.434 3.306 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1[O-] ZINC000374159690 276380442 /nfs/dbraw/zinc/38/04/42/276380442.db2.gz MFUINNOVCCRLKW-KBRIMQKVSA-N 0 3 305.418 3.084 20 10 DGCDHN COc1cccc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)c1 ZINC000296225468 278016421 /nfs/dbraw/zinc/01/64/21/278016421.db2.gz AHJOOFWKVUMHTQ-QAPCUYQASA-N 0 3 324.424 3.257 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc2c(c1)CC(=O)N2C ZINC000297601043 278387275 /nfs/dbraw/zinc/38/72/75/278387275.db2.gz IANPEBMXABCSGF-WBMJQRKESA-N 0 3 322.408 3.249 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686642 278836283 /nfs/dbraw/zinc/83/62/83/278836283.db2.gz LDKLFHWNESRZHN-KBPBESRZSA-N 0 3 315.392 3.164 20 10 DGCDHN COc1cccc(CNCc2c(O)cccc2Cl)c1OC ZINC000113324709 431341450 /nfs/dbraw/zinc/34/14/50/431341450.db2.gz QTXSEKXNJFDKRQ-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN CC(C)CCOCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119515033 431701832 /nfs/dbraw/zinc/70/18/32/431701832.db2.gz WXHDSOVQPJBNKY-KRWDZBQOSA-N 0 3 320.477 3.237 20 10 DGCDHN CN(CC[C@H]1CCOC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000120057779 431721544 /nfs/dbraw/zinc/72/15/44/431721544.db2.gz FFBVEBQFPULDAK-KRWDZBQOSA-N 0 3 316.445 3.062 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000093644671 431915471 /nfs/dbraw/zinc/91/54/71/431915471.db2.gz MBCAUUZWXDFRJQ-GDBMZVCRSA-N 0 3 306.450 3.096 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000093644671 431915473 /nfs/dbraw/zinc/91/54/73/431915473.db2.gz MBCAUUZWXDFRJQ-GDBMZVCRSA-N 0 3 306.450 3.096 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1[O-] ZINC000270676035 432275871 /nfs/dbraw/zinc/27/58/71/432275871.db2.gz RNSJCRSJBMWSEW-GDBMZVCRSA-N 0 3 307.434 3.474 20 10 DGCDHN CCC(CC)(C[NH2+][C@H](C)c1cc(OC)ccc1[O-])C(=O)OC ZINC000183877406 432332283 /nfs/dbraw/zinc/33/22/83/432332283.db2.gz GTDQMRFMDKCVCU-GFCCVEGCSA-N 0 3 309.406 3.031 20 10 DGCDHN CCCN(CC(=O)N1CCCC[C@H]1C)Cc1ccccc1O ZINC000174371778 432342375 /nfs/dbraw/zinc/34/23/75/432342375.db2.gz FWGHMBSKRVDIAR-OAHLLOKOSA-N 0 3 304.434 3.005 20 10 DGCDHN CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183595271 432307101 /nfs/dbraw/zinc/30/71/01/432307101.db2.gz OYEZOQKHTNZFOH-CYBMUJFWSA-N 0 3 314.385 3.080 20 10 DGCDHN COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183618614 432309682 /nfs/dbraw/zinc/30/96/82/432309682.db2.gz UDHDQOBUOSEPKT-CYBMUJFWSA-N 0 3 317.385 3.139 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000271455825 432399134 /nfs/dbraw/zinc/39/91/34/432399134.db2.gz FKGWJOCHQOTHMD-YJBOKZPZSA-N 0 3 307.434 3.474 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000271472585 432401787 /nfs/dbraw/zinc/40/17/87/432401787.db2.gz ZMSIWQFIMDZIQQ-UHFFFAOYSA-N 0 3 305.805 3.430 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000271472585 432401790 /nfs/dbraw/zinc/40/17/90/432401790.db2.gz ZMSIWQFIMDZIQQ-UHFFFAOYSA-N 0 3 305.805 3.430 20 10 DGCDHN CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccccc1[O-] ZINC000271268817 432364709 /nfs/dbraw/zinc/36/47/09/432364709.db2.gz LHNWBBMYECZYSD-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccccc1[O-] ZINC000271268817 432364712 /nfs/dbraw/zinc/36/47/12/432364712.db2.gz LHNWBBMYECZYSD-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1[O-] ZINC000192927382 432431208 /nfs/dbraw/zinc/43/12/08/432431208.db2.gz HVTZQUXOSHRFJN-AWEZNQCLSA-N 0 3 310.397 3.370 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c1 ZINC000184916151 432446498 /nfs/dbraw/zinc/44/64/98/432446498.db2.gz SWKUQKUKYGGNPG-LBPRGKRZSA-N 0 3 314.385 3.210 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(NC(C)=O)cc2)c1 ZINC000184916151 432446502 /nfs/dbraw/zinc/44/65/02/432446502.db2.gz SWKUQKUKYGGNPG-LBPRGKRZSA-N 0 3 314.385 3.210 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1 ZINC000184963796 432450711 /nfs/dbraw/zinc/45/07/11/432450711.db2.gz REOURBNRBCTVHV-KRWDZBQOSA-N 0 3 321.804 3.052 20 10 DGCDHN COCCN(C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185008721 432455823 /nfs/dbraw/zinc/45/58/23/432455823.db2.gz NWSRJKDGIGHPDV-OAHLLOKOSA-N 0 3 316.445 3.164 20 10 DGCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000272183378 432458325 /nfs/dbraw/zinc/45/83/25/432458325.db2.gz KNSVTZPQIHCRBO-LPHOPBHVSA-N 0 3 310.441 3.392 20 10 DGCDHN CC[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000271585210 432420720 /nfs/dbraw/zinc/42/07/20/432420720.db2.gz XLBRLIFFENRVPS-ZIAGYGMSSA-N 0 3 304.356 3.107 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccccc1[O-] ZINC000271689737 432422130 /nfs/dbraw/zinc/42/21/30/432422130.db2.gz KAPLHWMKPCLYFM-SJLPKXTDSA-N 0 3 301.386 3.175 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1[O-] ZINC000271713677 432422644 /nfs/dbraw/zinc/42/26/44/432422644.db2.gz OTTVJHXODNGPFM-YOEHRIQHSA-N 0 3 319.376 3.012 20 10 DGCDHN CCC[N@H+](Cc1cc(OC)ccc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271881337 432427287 /nfs/dbraw/zinc/42/72/87/432427287.db2.gz VCMIBZOWTZOLPB-JQHSSLGASA-N 0 3 319.445 3.426 20 10 DGCDHN CCC[N@@H+](Cc1cc(OC)ccc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271881337 432427291 /nfs/dbraw/zinc/42/72/91/432427291.db2.gz VCMIBZOWTZOLPB-JQHSSLGASA-N 0 3 319.445 3.426 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1[O-] ZINC000193504288 432477669 /nfs/dbraw/zinc/47/76/69/432477669.db2.gz BQVGLWQCVIKKPR-TZMCWYRMSA-N 0 3 316.367 3.317 20 10 DGCDHN C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc2c(cc1[O-])CCCC2 ZINC000185313282 432489225 /nfs/dbraw/zinc/48/92/25/432489225.db2.gz MJZMPQWSHOCUSI-CQSZACIVSA-N 0 3 313.445 3.288 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000185442770 432500417 /nfs/dbraw/zinc/50/04/17/432500417.db2.gz SYNYKVOKXCHIJW-AAEUAGOBSA-N 0 3 324.396 3.191 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cc2c(C)noc2C)c1 ZINC000185501428 432507081 /nfs/dbraw/zinc/50/70/81/432507081.db2.gz ZITCUFHQNZPQAT-GHMZBOCLSA-N 0 3 304.390 3.287 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1 ZINC000185525421 432509363 /nfs/dbraw/zinc/50/93/63/432509363.db2.gz XFOMPDLSWNJUES-GDBMZVCRSA-N 0 3 315.413 3.218 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1 ZINC000185090983 432465026 /nfs/dbraw/zinc/46/50/26/432465026.db2.gz BURWSRRPSKHHHF-CQSZACIVSA-N 0 3 304.434 3.190 20 10 DGCDHN CC(C)NC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263643150 432560411 /nfs/dbraw/zinc/56/04/11/432560411.db2.gz AKNPVXIHBIJRQW-UHFFFAOYSA-N 0 3 312.413 3.064 20 10 DGCDHN Cc1cc([O-])c(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1C ZINC000185642421 432518793 /nfs/dbraw/zinc/51/87/93/432518793.db2.gz QTOLSGJGTMJOMW-UHFFFAOYSA-N 0 3 311.425 3.493 20 10 DGCDHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000185657343 432519553 /nfs/dbraw/zinc/51/95/53/432519553.db2.gz UWXNLBUGRIUJOJ-HFZMZTSTSA-N 0 3 309.475 3.431 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000186618570 432615303 /nfs/dbraw/zinc/61/53/03/432615303.db2.gz QODBDPBSGBQXJJ-CYBMUJFWSA-N 0 3 315.413 3.479 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCOC2CCOCC2)c([O-])c1C ZINC000273467760 432602775 /nfs/dbraw/zinc/60/27/75/432602775.db2.gz JDGGUFNMCACAQO-OAHLLOKOSA-N 0 3 307.434 3.245 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CN2CCCCC2)c1[O-] ZINC000228670920 432718741 /nfs/dbraw/zinc/71/87/41/432718741.db2.gz BHMDABGREFSMOO-LBPRGKRZSA-N 0 3 312.841 3.018 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCCS2)c1[O-] ZINC000228676052 432719249 /nfs/dbraw/zinc/71/92/49/432719249.db2.gz MSCDJJXGLVTLIZ-AWEZNQCLSA-N 0 3 301.839 3.430 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1OC ZINC000187679567 432676336 /nfs/dbraw/zinc/67/63/36/432676336.db2.gz XEKDZUYPUSPJIM-HOCLYGCPSA-N 0 3 323.433 3.093 20 10 DGCDHN CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1[O-] ZINC000276205176 432782584 /nfs/dbraw/zinc/78/25/84/432782584.db2.gz JXQOARKHVGZSPH-LLVKDONJSA-N 0 3 309.303 3.350 20 10 DGCDHN CCCOc1ccc(C[NH2+]CCC(OCC)OCC)c([O-])c1 ZINC000276090710 432773149 /nfs/dbraw/zinc/77/31/49/432773149.db2.gz HRFUYLIJVHWPSX-UHFFFAOYSA-N 0 3 311.422 3.060 20 10 DGCDHN COc1cccc(CN[C@@H](C)c2cc(F)ccc2OC)c1O ZINC000237229206 432781420 /nfs/dbraw/zinc/78/14/20/432781420.db2.gz WUFAEYUXGUDTKK-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN CCOc1cccc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1O ZINC000277172845 432830108 /nfs/dbraw/zinc/83/01/08/432830108.db2.gz HXDAKGSNNFGYMG-VXGBXAGGSA-N 0 3 318.421 3.273 20 10 DGCDHN CCOc1cccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1O ZINC000277172830 432830218 /nfs/dbraw/zinc/83/02/18/432830218.db2.gz HXDAKGSNNFGYMG-NEPJUHHUSA-N 0 3 318.421 3.273 20 10 DGCDHN Cc1cc(O)c(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1C ZINC000278308855 432890703 /nfs/dbraw/zinc/89/07/03/432890703.db2.gz DZCURHBOQYNGRC-SWLSCSKDSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1C ZINC000278308855 432890705 /nfs/dbraw/zinc/89/07/05/432890705.db2.gz DZCURHBOQYNGRC-SWLSCSKDSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1C ZINC000278308855 432890706 /nfs/dbraw/zinc/89/07/06/432890706.db2.gz DZCURHBOQYNGRC-SWLSCSKDSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1ccc([O-])c(C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000278272768 432890781 /nfs/dbraw/zinc/89/07/81/432890781.db2.gz PBFZRVPHYCNGPL-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1ccc(O)c(CN2CCC(Oc3ncccc3F)CC2)c1 ZINC000278272768 432890785 /nfs/dbraw/zinc/89/07/85/432890785.db2.gz PBFZRVPHYCNGPL-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN Oc1ccc(F)cc1CN1CCC(Oc2ncccc2F)CC1 ZINC000278307242 432890874 /nfs/dbraw/zinc/89/08/74/432890874.db2.gz SCPNCGIZWZFUGR-UHFFFAOYSA-N 0 3 320.339 3.109 20 10 DGCDHN COc1ccc(CNCCOCC(F)(F)C(F)F)cc1C ZINC000277430394 432848878 /nfs/dbraw/zinc/84/88/78/432848878.db2.gz CHEBLCHITGDSSJ-UHFFFAOYSA-N 0 3 309.303 3.010 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c1 ZINC000289249020 432938340 /nfs/dbraw/zinc/93/83/40/432938340.db2.gz AVWAPWIPGUOBIO-OAHLLOKOSA-N 0 3 314.429 3.011 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c([O-])c1 ZINC000297216079 432975820 /nfs/dbraw/zinc/97/58/20/432975820.db2.gz GZVCBKSSCUFABA-WMLDXEAASA-N 0 3 317.404 3.402 20 10 DGCDHN CC[C@H](NCc1ccc(C)n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000279571899 432984142 /nfs/dbraw/zinc/98/41/42/432984142.db2.gz SYIQECJNBUOYJW-SFHVURJKSA-N 0 3 313.445 3.001 20 10 DGCDHN CC[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(C)cc1[O-] ZINC000280073920 433002461 /nfs/dbraw/zinc/00/24/61/433002461.db2.gz LDXBCKSDMBKQJT-NVXWUHKLSA-N 0 3 308.491 3.179 20 10 DGCDHN CCNC(=O)C1(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])CCC1 ZINC000280052409 433001421 /nfs/dbraw/zinc/00/14/21/433001421.db2.gz JRKLIOXWPOPTFW-HNNXBMFYSA-N 0 3 304.434 3.048 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1 ZINC000290183268 433009295 /nfs/dbraw/zinc/00/92/95/433009295.db2.gz FMGAISKWEYJRAR-VEVIJQCQSA-N 0 3 301.386 3.174 20 10 DGCDHN CCOc1cccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000290402336 433045495 /nfs/dbraw/zinc/04/54/95/433045495.db2.gz JNURCGBQFVWAEI-OAHLLOKOSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000290402336 433045499 /nfs/dbraw/zinc/04/54/99/433045499.db2.gz JNURCGBQFVWAEI-OAHLLOKOSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000290402336 433045500 /nfs/dbraw/zinc/04/55/00/433045500.db2.gz JNURCGBQFVWAEI-OAHLLOKOSA-N 0 3 315.417 3.468 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccc(C)cc2[O-])[C@@]12CCCO2 ZINC000280218772 433016988 /nfs/dbraw/zinc/01/69/88/433016988.db2.gz UNXYJVGNBBHVAU-LULLPPNCSA-N 0 3 319.445 3.468 20 10 DGCDHN CC[C@H]([NH2+]C1CCN(CCCOC)CC1)c1ccc(C)cc1[O-] ZINC000280282110 433028416 /nfs/dbraw/zinc/02/84/16/433028416.db2.gz YOWBVCIGUYRXBX-SFHVURJKSA-N 0 3 320.477 3.242 20 10 DGCDHN CCCn1ccnc1CCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000290328798 433031930 /nfs/dbraw/zinc/03/19/30/433031930.db2.gz DNWDSHQYTLRBDL-UHFFFAOYSA-N 0 3 305.397 3.202 20 10 DGCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000290328798 433031933 /nfs/dbraw/zinc/03/19/33/433031933.db2.gz DNWDSHQYTLRBDL-UHFFFAOYSA-N 0 3 305.397 3.202 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1[O-] ZINC000290347222 433036477 /nfs/dbraw/zinc/03/64/77/433036477.db2.gz FWECSNNYSJKZMH-USXIJHARSA-N 0 3 315.800 3.482 20 10 DGCDHN CCOc1cccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000290369889 433040575 /nfs/dbraw/zinc/04/05/75/433040575.db2.gz ANTWTWCXALTQQI-CQSZACIVSA-N 0 3 321.808 3.088 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1[O-] ZINC000373212837 433128397 /nfs/dbraw/zinc/12/83/97/433128397.db2.gz VHUSGOPJWGSXIW-MRXNPFEDSA-N 0 3 308.385 3.214 20 10 DGCDHN CCOc1ccc(O)c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000290826739 433180729 /nfs/dbraw/zinc/18/07/29/433180729.db2.gz HERMFQUSRCMAAU-MSOLQXFVSA-N 0 3 317.429 3.324 20 10 DGCDHN CCOc1ccc(O)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000290945806 433210430 /nfs/dbraw/zinc/21/04/30/433210430.db2.gz QGGQPZYWUPMDJR-CQSZACIVSA-N 0 3 321.808 3.088 20 10 DGCDHN C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000280874137 433205902 /nfs/dbraw/zinc/20/59/02/433205902.db2.gz AKRGKDLLYNGSLY-XMHCIUCPSA-N 0 3 321.486 3.223 20 10 DGCDHN COc1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1[O-] ZINC000291655989 433302685 /nfs/dbraw/zinc/30/26/85/433302685.db2.gz UYOPLLQODPTOEU-KRWDZBQOSA-N 0 3 324.424 3.038 20 10 DGCDHN COc1cccc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1[O-] ZINC000291655989 433302692 /nfs/dbraw/zinc/30/26/92/433302692.db2.gz UYOPLLQODPTOEU-KRWDZBQOSA-N 0 3 324.424 3.038 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000292899214 433601857 /nfs/dbraw/zinc/60/18/57/433601857.db2.gz GLQOBWYVPRJSSN-UHFFFAOYSA-N 0 3 315.388 3.413 20 10 DGCDHN CN(C)c1ccc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000292900988 433605858 /nfs/dbraw/zinc/60/58/58/433605858.db2.gz DNLWDALQIKFURF-QGZVFWFLSA-N 0 3 313.449 3.282 20 10 DGCDHN CN(C)c1ccc(C[NH2+][C@@H](c2nnc[n-]2)C2CCCCC2)cc1 ZINC000292900988 433605869 /nfs/dbraw/zinc/60/58/69/433605869.db2.gz DNLWDALQIKFURF-QGZVFWFLSA-N 0 3 313.449 3.282 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C(C)C)C1=O ZINC000282476239 433612329 /nfs/dbraw/zinc/61/23/29/433612329.db2.gz OIAXVYGWUYQABP-INIZCTEOSA-N 0 3 304.434 3.004 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C(C)C)C1=O ZINC000282476239 433612336 /nfs/dbraw/zinc/61/23/36/433612336.db2.gz OIAXVYGWUYQABP-INIZCTEOSA-N 0 3 304.434 3.004 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c([O-])c1 ZINC000293232588 433667782 /nfs/dbraw/zinc/66/77/82/433667782.db2.gz AXMHRFFDTRRIFL-OAHLLOKOSA-N 0 3 318.461 3.499 20 10 DGCDHN COCCCN1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293807292 433875872 /nfs/dbraw/zinc/87/58/72/433875872.db2.gz RJJIYEZSOMRZKV-INIZCTEOSA-N 0 3 320.477 3.161 20 10 DGCDHN COc1cccc(CNCc2c[nH]nc2-c2ccc(C)cc2)c1O ZINC000377634637 433938181 /nfs/dbraw/zinc/93/81/81/433938181.db2.gz YAOZRSDGIQFYHL-UHFFFAOYSA-N 0 3 323.396 3.389 20 10 DGCDHN CN(C)c1ccc(CN[C@@H]2CN(C)Cc3ccccc32)cc1F ZINC000378276433 434129625 /nfs/dbraw/zinc/12/96/25/434129625.db2.gz ZBSLOIUOZOLHLE-GOSISDBHSA-N 0 3 313.420 3.168 20 10 DGCDHN CCOc1cccc(C[NH2+]CC2(c3ccccn3)CCC2)c1[O-] ZINC000368600177 434580892 /nfs/dbraw/zinc/58/08/92/434580892.db2.gz AYDRLNBGAULLSU-UHFFFAOYSA-N 0 3 312.413 3.397 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)c1 ZINC000370376190 434611651 /nfs/dbraw/zinc/61/16/51/434611651.db2.gz XDDZTXHKNZYWNC-FZKQIMNGSA-N 0 3 312.413 3.238 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000371869753 434765139 /nfs/dbraw/zinc/76/51/39/434765139.db2.gz KEVJZJSOSWXRIO-XIKOKIGWSA-N 0 3 301.361 3.496 20 10 DGCDHN COc1ccc([C@H](NCc2ccc3c(c2)CCO3)C2CC2)cn1 ZINC000527840530 435015600 /nfs/dbraw/zinc/01/56/00/435015600.db2.gz GYKSAJIYYWVEJJ-LJQANCHMSA-N 0 3 310.397 3.266 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000293515008 335111250 /nfs/dbraw/zinc/11/12/50/335111250.db2.gz ANDNJVWPGDDUGR-GOSISDBHSA-N 0 3 317.429 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000293515008 335111252 /nfs/dbraw/zinc/11/12/52/335111252.db2.gz ANDNJVWPGDDUGR-GOSISDBHSA-N 0 3 317.429 3.182 20 10 DGCDHN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185177541 333204913 /nfs/dbraw/zinc/20/49/13/333204913.db2.gz MKFJFPADVPHCFG-CQSZACIVSA-N 0 3 312.413 3.301 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H](CC)COCC(F)(F)F)c1 ZINC000295200580 334220662 /nfs/dbraw/zinc/22/06/62/334220662.db2.gz YQLLOLOFKUAIKY-GFCCVEGCSA-N 0 3 321.339 3.238 20 10 DGCDHN C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185314062 533855095 /nfs/dbraw/zinc/85/50/95/533855095.db2.gz IRQFFVCMMNINEF-NSHDSACASA-N 0 3 312.385 3.049 20 10 DGCDHN COc1ccc(N2CCC(N[C@@H](C)c3ccccn3)CC2)cc1 ZINC000152363556 533998711 /nfs/dbraw/zinc/99/87/11/533998711.db2.gz YBIGUTYELCAYBC-HNNXBMFYSA-N 0 3 311.429 3.410 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc2c(c1)CC(=O)N2C ZINC000297601028 534013617 /nfs/dbraw/zinc/01/36/17/534013617.db2.gz IANPEBMXABCSGF-LRDDRELGSA-N 0 3 322.408 3.249 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000185125311 534205316 /nfs/dbraw/zinc/20/53/16/534205316.db2.gz JRDDYCQNEJDRQG-AWEZNQCLSA-N 0 3 323.396 3.437 20 10 DGCDHN CCOCCOCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000189236046 519993372 /nfs/dbraw/zinc/99/33/72/519993372.db2.gz SDCNUQPTUHPPKB-UHFFFAOYSA-N 0 3 303.402 3.030 20 10 DGCDHN CCOCCOCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000189236046 519993382 /nfs/dbraw/zinc/99/33/82/519993382.db2.gz SDCNUQPTUHPPKB-UHFFFAOYSA-N 0 3 303.402 3.030 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000265117440 520370395 /nfs/dbraw/zinc/37/03/95/520370395.db2.gz DMENTFKDFZAGQW-IBGZPJMESA-N 0 3 315.413 3.178 20 10 DGCDHN CCCOc1ccc(CN[C@@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000265220106 520373380 /nfs/dbraw/zinc/37/33/80/520373380.db2.gz GRFWZUYHIBTKKB-KRWDZBQOSA-N 0 3 319.376 3.143 20 10 DGCDHN CCCCNC(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000236799836 520685115 /nfs/dbraw/zinc/68/51/15/520685115.db2.gz XRGHOBKRTFXXCJ-UHFFFAOYSA-N 0 3 312.413 3.212 20 10 DGCDHN CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178095512 522728732 /nfs/dbraw/zinc/72/87/32/522728732.db2.gz PXSWNLOMTSHLBA-CJNGLKHVSA-N 0 3 305.466 3.097 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000227683643 522908190 /nfs/dbraw/zinc/90/81/90/522908190.db2.gz JNFLENOORQVLII-GXTWGEPZSA-N 0 3 308.422 3.346 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1[O-] ZINC000156780899 522926532 /nfs/dbraw/zinc/92/65/32/522926532.db2.gz NNRFVIFKOUESMJ-FRFSOERESA-N 0 3 307.459 3.488 20 10 DGCDHN COCCCOCCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000181521070 523403549 /nfs/dbraw/zinc/40/35/49/523403549.db2.gz GRWWMKVTTRTAPN-UHFFFAOYSA-N 0 3 320.477 3.162 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000182324653 524762377 /nfs/dbraw/zinc/76/23/77/524762377.db2.gz VUIBCCZHEGMWLE-ACJLOTCBSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c1 ZINC000188680960 524763997 /nfs/dbraw/zinc/76/39/97/524763997.db2.gz WZXCZZLFQOGMTB-FZKQIMNGSA-N 0 3 307.434 3.383 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000186107676 524764054 /nfs/dbraw/zinc/76/40/54/524764054.db2.gz MQOVWCAXOIGXKO-LLVKDONJSA-N 0 3 322.792 3.179 20 10 DGCDHN Cc1cc(O)c(CN[C@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000182107687 525322587 /nfs/dbraw/zinc/32/25/87/525322587.db2.gz VVDVMTDZKVEYRT-VGSWGCGISA-N 0 3 317.454 3.218 20 10 DGCDHN CC(C)(C)OC(=O)NCCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296579733 534882220 /nfs/dbraw/zinc/88/22/20/534882220.db2.gz VWNQJHMFTRCAED-AWEZNQCLSA-N 0 3 320.433 3.274 20 10 DGCDHN CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265738628 525895773 /nfs/dbraw/zinc/89/57/73/525895773.db2.gz DFSQVMVKXALOTF-SCLBCKFNSA-N 0 3 317.454 3.261 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1[O-] ZINC000186919287 526159899 /nfs/dbraw/zinc/15/98/99/526159899.db2.gz NPAOWVWPSMTAEQ-PWSUYJOCSA-N 0 3 314.223 3.293 20 10 DGCDHN CCOC(=O)N1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284265994 535770570 /nfs/dbraw/zinc/77/05/70/535770570.db2.gz WNFACBWPOOTLHK-AWEZNQCLSA-N 0 3 320.433 3.281 20 10 DGCDHN COc1ccc(N2CCN(CCCC3CCOCC3)CC2)cc1 ZINC000274640924 536695775 /nfs/dbraw/zinc/69/57/75/536695775.db2.gz KAFCEIGEMBQBQW-UHFFFAOYSA-N 0 3 318.461 3.024 20 10 DGCDHN COCC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000273412442 536818013 /nfs/dbraw/zinc/81/80/13/536818013.db2.gz IAMJDBMOPVHNPS-DOMZBBRYSA-N 0 3 305.374 3.422 20 10 DGCDHN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([O-])cs2)C1 ZINC000732293467 574571148 /nfs/dbraw/zinc/57/11/48/574571148.db2.gz KHSROTRPMNLNKJ-LBPRGKRZSA-N 0 3 310.463 3.084 20 10 DGCDHN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([O-])cs2)C1 ZINC000732293467 574571149 /nfs/dbraw/zinc/57/11/49/574571149.db2.gz KHSROTRPMNLNKJ-LBPRGKRZSA-N 0 3 310.463 3.084 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000733324685 574615698 /nfs/dbraw/zinc/61/56/98/574615698.db2.gz SSBNMMUTDIRFJF-UHFFFAOYSA-N 0 3 324.468 3.497 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000740759306 574941368 /nfs/dbraw/zinc/94/13/68/574941368.db2.gz XEBKHDXWLARHFF-KRWDZBQOSA-N 0 3 313.397 3.273 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000740759306 574941370 /nfs/dbraw/zinc/94/13/70/574941370.db2.gz XEBKHDXWLARHFF-KRWDZBQOSA-N 0 3 313.397 3.273 20 10 DGCDHN CC(C)OC(=O)CCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000743839767 575064945 /nfs/dbraw/zinc/06/49/45/575064945.db2.gz YBLGUJKYEKXXBS-UHFFFAOYSA-N 0 3 318.461 3.450 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(F)c3)C1)OCO2 ZINC000729470265 575251269 /nfs/dbraw/zinc/25/12/69/575251269.db2.gz SLPISSFCCVSDLZ-CYBMUJFWSA-N 0 3 315.344 3.250 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3cccc(F)c3)C1)OCO2 ZINC000729470265 575251271 /nfs/dbraw/zinc/25/12/71/575251271.db2.gz SLPISSFCCVSDLZ-CYBMUJFWSA-N 0 3 315.344 3.250 20 10 DGCDHN Oc1cc2c(cc1CNC1(c3ccc(F)cc3)CC1)OCO2 ZINC000729685417 575260484 /nfs/dbraw/zinc/26/04/84/575260484.db2.gz ABPUIRPGIRGGQU-UHFFFAOYSA-N 0 3 301.317 3.039 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)c1ccco1 ZINC000747098826 575495593 /nfs/dbraw/zinc/49/55/93/575495593.db2.gz YEIJHXMSXSDLSO-SFHVURJKSA-N 0 3 309.365 3.475 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](COC)Cc2ccccc2)c([O-])c1 ZINC000747100513 575496582 /nfs/dbraw/zinc/49/65/82/575496582.db2.gz JAFZFXBPVNTKFO-QGZVFWFLSA-N 0 3 315.413 3.138 20 10 DGCDHN CC(C)(C)c1cc(O)c([O-])c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000749799943 575679959 /nfs/dbraw/zinc/67/99/59/575679959.db2.gz PZUYCYIFTWIBMD-UONOGXRCSA-N 0 3 319.445 3.254 20 10 DGCDHN CC(C)(C)c1cc(O)c([O-])c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000749799943 575679960 /nfs/dbraw/zinc/67/99/60/575679960.db2.gz PZUYCYIFTWIBMD-UONOGXRCSA-N 0 3 319.445 3.254 20 10 DGCDHN C[C@@H](Cn1cccn1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725847449 575929189 /nfs/dbraw/zinc/92/91/89/575929189.db2.gz MORBXVNVCSSWGX-HNNXBMFYSA-N 0 3 307.397 3.434 20 10 DGCDHN C[C@H](Cn1cccn1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725847450 575929196 /nfs/dbraw/zinc/92/91/96/575929196.db2.gz MORBXVNVCSSWGX-OAHLLOKOSA-N 0 3 307.397 3.434 20 10 DGCDHN CCOC(=O)N(C)C1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000726966139 576087786 /nfs/dbraw/zinc/08/77/86/576087786.db2.gz CMKXMGQRDQSXRQ-UHFFFAOYSA-N 0 3 320.433 3.062 20 10 DGCDHN CCCCCCN(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000111608338 620740991 /nfs/dbraw/zinc/74/09/91/620740991.db2.gz GRJCTEGBRYNFEJ-AWEZNQCLSA-N 0 3 322.449 3.090 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891853213 617912166 /nfs/dbraw/zinc/91/21/66/617912166.db2.gz FINDXPBEQZXSAE-HOTGVXAUSA-N 0 3 323.408 3.238 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891853213 617912169 /nfs/dbraw/zinc/91/21/69/617912169.db2.gz FINDXPBEQZXSAE-HOTGVXAUSA-N 0 3 323.408 3.238 20 10 DGCDHN COc1cc(C)cc(CNCc2ccnc(SC)c2)c1O ZINC000894416569 618321107 /nfs/dbraw/zinc/32/11/07/618321107.db2.gz UYRFJBIFNVTYFS-UHFFFAOYSA-N 0 3 304.415 3.116 20 10 DGCDHN COCC[C@H](NCc1cc(C)cc(OC)c1O)c1ccc(C)o1 ZINC000894420694 618321924 /nfs/dbraw/zinc/32/19/24/618321924.db2.gz QJRGZNDIMOIFGO-HNNXBMFYSA-N 0 3 319.401 3.478 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1nccn1C ZINC000840894452 618337980 /nfs/dbraw/zinc/33/79/80/618337980.db2.gz RNZAYKYOJDFWHE-LSDHHAIUSA-N 0 3 300.450 3.076 20 10 DGCDHN COc1ccc(O)c(CNCc2cccc3c2OC(F)(F)O3)c1 ZINC000840896665 618403492 /nfs/dbraw/zinc/40/34/92/618403492.db2.gz GIPDGVKVWYXTFA-UHFFFAOYSA-N 0 3 323.295 3.012 20 10 DGCDHN COCC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000112331982 620816598 /nfs/dbraw/zinc/81/65/98/620816598.db2.gz FKQDJZCVNNXFNH-UHFFFAOYSA-N 0 3 315.413 3.412 20 10 DGCDHN COc1cc(C)cc(CNCc2c(C)cc(C)nc2OC)c1O ZINC000894221337 618732981 /nfs/dbraw/zinc/73/29/81/618732981.db2.gz ONJVRVODEOSULC-UHFFFAOYSA-N 0 3 316.401 3.019 20 10 DGCDHN COc1cc(C)ccc1CNCc1cc(C)cc(OC)c1O ZINC000894343268 618768354 /nfs/dbraw/zinc/76/83/54/618768354.db2.gz BBJXLRVZEFDMPS-UHFFFAOYSA-N 0 3 301.386 3.316 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C2CCC3(COC3)CC2)c1[O-] ZINC000895694726 618817903 /nfs/dbraw/zinc/81/79/03/618817903.db2.gz JESYWPMNOVOAAE-UHFFFAOYSA-N 0 3 311.809 3.103 20 10 DGCDHN COc1cc2c(cc1O)CCN(Cc1cc(C)c(C)cc1O)C2 ZINC000895889674 618846061 /nfs/dbraw/zinc/84/60/61/618846061.db2.gz ZIJIXRSTNXIERQ-UHFFFAOYSA-N 0 3 313.397 3.282 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H](c3noc(C)n3)C2)cc1 ZINC000896239804 618892031 /nfs/dbraw/zinc/89/20/31/618892031.db2.gz LYJKBYYCVKGRMQ-INIZCTEOSA-N 0 3 314.433 3.214 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@H](c3ccn(C)n3)C2)cc1F ZINC000896492028 618918217 /nfs/dbraw/zinc/91/82/17/618918217.db2.gz JRFUIAKTPGDXSP-HNNXBMFYSA-N 0 3 316.424 3.005 20 10 DGCDHN CN(C)c1ccc(CN2CCC(c3ccn(C)n3)CC2)cc1F ZINC000896494606 618920236 /nfs/dbraw/zinc/92/02/36/618920236.db2.gz DFOKIXMVSNYJGY-UHFFFAOYSA-N 0 3 316.424 3.005 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896531007 618923162 /nfs/dbraw/zinc/92/31/62/618923162.db2.gz IEZITQXSERCHAZ-ZDUSSCGKSA-N 0 3 318.442 3.312 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896531007 618923165 /nfs/dbraw/zinc/92/31/65/618923165.db2.gz IEZITQXSERCHAZ-ZDUSSCGKSA-N 0 3 318.442 3.312 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000896821127 618965073 /nfs/dbraw/zinc/96/50/73/618965073.db2.gz FDQRTIYSHIKNDY-WCQYABFASA-N 0 3 307.287 3.121 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC000896824013 618965577 /nfs/dbraw/zinc/96/55/77/618965577.db2.gz RAJVPERWBGJDOL-OCCSQVGLSA-N 0 3 303.324 3.290 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000897267602 619039364 /nfs/dbraw/zinc/03/93/64/619039364.db2.gz MXBROXDJVDEZTD-MRXNPFEDSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000897267602 619039365 /nfs/dbraw/zinc/03/93/65/619039365.db2.gz MXBROXDJVDEZTD-MRXNPFEDSA-N 0 3 319.445 3.430 20 10 DGCDHN CC[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000897423765 619110618 /nfs/dbraw/zinc/11/06/18/619110618.db2.gz PMLXVKUBCWGXEK-CQSZACIVSA-N 0 3 320.433 3.490 20 10 DGCDHN COc1cccc(CNCc2cccc(Cl)c2OC)c1O ZINC000897483493 619135554 /nfs/dbraw/zinc/13/55/54/619135554.db2.gz QQRQQCHHZUCKBE-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN Cc1nc2ccccn2c1CNCc1ccc2c(c1)CCCO2 ZINC000898272664 619231133 /nfs/dbraw/zinc/23/11/33/619231133.db2.gz ZFEOWRRUSTVZMK-UHFFFAOYSA-N 0 3 307.397 3.258 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC000903174992 619729994 /nfs/dbraw/zinc/72/99/94/619729994.db2.gz BRECDKGGDNSCQR-NQBHXWOUSA-N 0 3 301.308 3.079 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cnn(CCF)c2)c2c1c(F)ccc2[O-] ZINC000903274427 619750544 /nfs/dbraw/zinc/75/05/44/619750544.db2.gz MBTVXDJQHPNGBZ-GXFFZTMASA-N 0 3 307.344 3.035 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1(c3ccc4c(c3)OCCO4)CC1)CC2 ZINC000903293649 619752376 /nfs/dbraw/zinc/75/23/76/619752376.db2.gz FONKQDHJAJQNBR-HNNXBMFYSA-N 0 3 323.392 3.430 20 10 DGCDHN COc1cc(CN2CCO[C@H](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000905740811 620025252 /nfs/dbraw/zinc/02/52/52/620025252.db2.gz UVSULIPPFLRORZ-CYBMUJFWSA-N 0 3 307.434 3.309 20 10 DGCDHN CN1Cc2ccccc2[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000921934532 620969831 /nfs/dbraw/zinc/96/98/31/620969831.db2.gz DZASHRWUAMIVER-LJQANCHMSA-N 0 3 308.425 3.288 20 10 DGCDHN COC(OC)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000922311188 621021495 /nfs/dbraw/zinc/02/14/95/621021495.db2.gz CIIGWWCUMOEODF-CYBMUJFWSA-N 0 3 301.386 3.156 20 10 DGCDHN CCOc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c([O-])c1 ZINC000856806829 621023866 /nfs/dbraw/zinc/02/38/66/621023866.db2.gz JIUDTVRQUVMLTP-LLVKDONJSA-N 0 3 304.217 3.464 20 10 DGCDHN CCOc1ccc(O)c(CNCc2nccc3c2CCCC3)c1 ZINC000922467546 621041990 /nfs/dbraw/zinc/04/19/90/621041990.db2.gz XKQUKOGEGDWDRS-UHFFFAOYSA-N 0 3 312.413 3.355 20 10 DGCDHN COc1ccc(F)c(CN[C@H](C)c2cccc(OC)c2O)c1 ZINC000857081166 621056417 /nfs/dbraw/zinc/05/64/17/621056417.db2.gz MMRSCFIEJJNKLV-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN C[NH+](C)CC[C@@H](NCc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000922629864 621070132 /nfs/dbraw/zinc/07/01/32/621070132.db2.gz AEGZPQGIJBNKKZ-MRXNPFEDSA-N 0 3 319.836 3.223 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2cc(C3CC3)nn2C)cc1 ZINC000922946594 621135718 /nfs/dbraw/zinc/13/57/18/621135718.db2.gz BENFMAAQEMVFSQ-PLNGDYQASA-N 0 3 310.445 3.167 20 10 DGCDHN COc1ccc(O)c(CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858137157 621156722 /nfs/dbraw/zinc/15/67/22/621156722.db2.gz HUZGEYOMHDFWFZ-UHFFFAOYSA-N 0 3 322.355 3.035 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2C(C)(C)C2(F)F)cc1F ZINC000858191956 621163756 /nfs/dbraw/zinc/16/37/56/621163756.db2.gz CQWRQIBEBOOHLV-ZDUSSCGKSA-N 0 3 304.331 3.412 20 10 DGCDHN COc1cc2c(c(CNCc3cc(C)ccc3O)c1)O[C@H](C)C2 ZINC000858238131 621167332 /nfs/dbraw/zinc/16/73/32/621167332.db2.gz VVBGEYAOWFJILE-CYBMUJFWSA-N 0 3 313.397 3.322 20 10 DGCDHN Cc1cc(C2(NCc3cc(C)c(C)cc3O)CCOCC2)on1 ZINC000858326008 621176093 /nfs/dbraw/zinc/17/60/93/621176093.db2.gz SWFFOPCCPNFGMM-UHFFFAOYSA-N 0 3 316.401 3.101 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000858448559 621192389 /nfs/dbraw/zinc/19/23/89/621192389.db2.gz CKKAYOBUKAKWDY-RNCFNFMXSA-N 0 3 317.286 3.182 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000858448558 621192507 /nfs/dbraw/zinc/19/25/07/621192507.db2.gz CKKAYOBUKAKWDY-NOZJJQNGSA-N 0 3 317.286 3.182 20 10 DGCDHN Cc1ccc(O)c([C@H](C)NCc2c(C(F)(F)F)cnn2C)c1 ZINC000858452792 621193067 /nfs/dbraw/zinc/19/30/67/621193067.db2.gz OBCCAZNGXOHJCU-JTQLQIEISA-N 0 3 313.323 3.304 20 10 DGCDHN C/C=C/C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000858536020 621202790 /nfs/dbraw/zinc/20/27/90/621202790.db2.gz DAJSVQARBPQWCG-MOVJSRMASA-N 0 3 300.196 3.390 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccccc1[O-] ZINC000858535899 621202889 /nfs/dbraw/zinc/20/28/89/621202889.db2.gz DAQBGLBZBJUGMK-DAYGRLMNSA-N 0 3 314.385 3.064 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN(C)CC(F)F)c1[O-] ZINC000858596944 621208597 /nfs/dbraw/zinc/20/85/97/621208597.db2.gz RFWDFELNJCWBCJ-JTQLQIEISA-N 0 3 306.784 3.202 20 10 DGCDHN CSCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753546835 621447939 /nfs/dbraw/zinc/44/79/39/621447939.db2.gz OOSOJVOXSVXVBO-UHFFFAOYSA-N 0 3 303.427 3.424 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@@H](C)C3)c2c1 ZINC000753987859 621476505 /nfs/dbraw/zinc/47/65/05/621476505.db2.gz YESQSVUPSQRDMW-ZDUSSCGKSA-N 0 3 301.386 3.022 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@@H](C)C3)c2c1 ZINC000753987859 621476506 /nfs/dbraw/zinc/47/65/06/621476506.db2.gz YESQSVUPSQRDMW-ZDUSSCGKSA-N 0 3 301.386 3.022 20 10 DGCDHN COc1ccc(CNCc2cc(F)c(N(C)C)cc2F)c(O)c1 ZINC000862353626 621576967 /nfs/dbraw/zinc/57/69/67/621576967.db2.gz ULSYIECHFSMKMT-UHFFFAOYSA-N 0 3 322.355 3.035 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485141 621594782 /nfs/dbraw/zinc/59/47/82/621594782.db2.gz HSBDAWPSZCKOBZ-WFASDCNBSA-N 0 3 323.408 3.331 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485141 621594784 /nfs/dbraw/zinc/59/47/84/621594784.db2.gz HSBDAWPSZCKOBZ-WFASDCNBSA-N 0 3 323.408 3.331 20 10 DGCDHN Cc1nccn1CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756434009 621638117 /nfs/dbraw/zinc/63/81/17/621638117.db2.gz SWALXXVXFWHSDJ-BXUZGUMPSA-N 0 3 303.381 3.264 20 10 DGCDHN Cc1nn(C)c(C)c1C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756513612 621643880 /nfs/dbraw/zinc/64/38/80/621643880.db2.gz OQNGAEBPJKOKAZ-OTYXRUKQSA-N 0 3 303.381 3.220 20 10 DGCDHN COC1CCN(C(C)(C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756549520 621647316 /nfs/dbraw/zinc/64/73/16/621647316.db2.gz FYVQKLKICAKPCH-CYBMUJFWSA-N 0 3 324.440 3.071 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756588143 621651295 /nfs/dbraw/zinc/65/12/95/621651295.db2.gz FLJJDNGVAYIDMZ-VPOQAHPWSA-N 0 3 313.438 3.216 20 10 DGCDHN Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756586718 621651368 /nfs/dbraw/zinc/65/13/68/621651368.db2.gz TXTYRWOYOQLUEI-MEBBXXQBSA-N 0 3 301.365 3.358 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCNc2ccccn2)c2c1c(F)ccc2[O-] ZINC000756604879 621652334 /nfs/dbraw/zinc/65/23/34/621652334.db2.gz GVBUVLHJDWCEQP-DGCLKSJQSA-N 0 3 301.365 3.176 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756606994 621652536 /nfs/dbraw/zinc/65/25/36/621652536.db2.gz LPTYKOQGTVYNRC-ZYHUDNBSSA-N 0 3 309.381 3.401 20 10 DGCDHN COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756638639 621655064 /nfs/dbraw/zinc/65/50/64/621655064.db2.gz VKEOMNGQKBFDFL-CJNGLKHVSA-N 0 3 303.377 3.440 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccco2)c2c1c(F)ccc2[O-] ZINC000756659291 621657263 /nfs/dbraw/zinc/65/72/63/621657263.db2.gz CQHLPTKZDZUUQW-JMSVASOKSA-N 0 3 319.376 3.113 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000756741859 621661733 /nfs/dbraw/zinc/66/17/33/621661733.db2.gz XQDLROJHZYSICU-RFAUZJTJSA-N 0 3 311.303 3.194 20 10 DGCDHN Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)[nH]n1 ZINC000756764331 621662915 /nfs/dbraw/zinc/66/29/15/621662915.db2.gz GGSHYFICUVYOAF-BHDSKKPTSA-N 0 3 303.381 3.332 20 10 DGCDHN Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)n[nH]1 ZINC000756764331 621662918 /nfs/dbraw/zinc/66/29/18/621662918.db2.gz GGSHYFICUVYOAF-BHDSKKPTSA-N 0 3 303.381 3.332 20 10 DGCDHN O=C(NCc1ccccc1O)c1cccc(CN2CCCCC2)c1 ZINC000839613692 621700375 /nfs/dbraw/zinc/70/03/75/621700375.db2.gz WTGRKEJILGXQDC-UHFFFAOYSA-N 0 3 324.424 3.308 20 10 DGCDHN C[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757659433 621732092 /nfs/dbraw/zinc/73/20/92/621732092.db2.gz XUINIBASHUJOIU-ZIAGYGMSSA-N 0 3 321.421 3.216 20 10 DGCDHN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000760040455 621912473 /nfs/dbraw/zinc/91/24/73/621912473.db2.gz KHYRGGQCVNAZLB-SOVGHPHASA-N 0 3 315.388 3.348 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C2(C3CC3)CC2)c1[O-] ZINC000760712743 621960353 /nfs/dbraw/zinc/96/03/53/621960353.db2.gz LAUKMODQXSJVRD-UHFFFAOYSA-N 0 3 312.207 3.196 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000865726958 621984572 /nfs/dbraw/zinc/98/45/72/621984572.db2.gz XAUOEISDNMORFC-KRWDZBQOSA-N 0 3 305.418 3.230 20 10 DGCDHN C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccccc1[O-] ZINC000865771685 621992264 /nfs/dbraw/zinc/99/22/64/621992264.db2.gz MWALURDFDIUPIW-KRWDZBQOSA-N 0 3 305.805 3.129 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)CC2(C)OCCO2)c([O-])c1 ZINC000866426809 622116391 /nfs/dbraw/zinc/11/63/91/622116391.db2.gz DWUCGZAOONZHGV-ZFWWWQNUSA-N 0 3 307.434 3.449 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c([O-])c1 ZINC000866462899 622122425 /nfs/dbraw/zinc/12/24/25/622122425.db2.gz CQJLXCZNBFQQEG-SWHYSGLUSA-N 0 3 305.340 3.299 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000763533063 622150587 /nfs/dbraw/zinc/15/05/87/622150587.db2.gz YYADCPKSIFBOFW-RHSMWYFYSA-N 0 3 307.434 3.474 20 10 DGCDHN Cc1cc(C)cc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000766090127 622304944 /nfs/dbraw/zinc/30/49/44/622304944.db2.gz HWRGXTVJHAJQTN-GOSISDBHSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1cc(C)cc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000766090127 622304947 /nfs/dbraw/zinc/30/49/47/622304947.db2.gz HWRGXTVJHAJQTN-GOSISDBHSA-N 0 3 313.397 3.067 20 10 DGCDHN COc1cccc(O)c1CN(C)CCOc1cccc(C)c1 ZINC000768213793 622445387 /nfs/dbraw/zinc/44/53/87/622445387.db2.gz SVUNJZCFHKRUDL-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)CCOc1cccc(C)c1 ZINC000768213793 622445388 /nfs/dbraw/zinc/44/53/88/622445388.db2.gz SVUNJZCFHKRUDL-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)CCOc1cccc(C)c1 ZINC000768213793 622445389 /nfs/dbraw/zinc/44/53/89/622445389.db2.gz SVUNJZCFHKRUDL-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN CC(C)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463620 622458032 /nfs/dbraw/zinc/45/80/32/622458032.db2.gz KNAQKBBHTFTBLD-RHSMWYFYSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463620 622458033 /nfs/dbraw/zinc/45/80/33/622458033.db2.gz KNAQKBBHTFTBLD-RHSMWYFYSA-N 0 3 305.418 3.219 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)CCCOc1ccccc1 ZINC000768824517 622479473 /nfs/dbraw/zinc/47/94/73/622479473.db2.gz GUEPFCYGLPFCOS-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)CCCOc1ccccc1 ZINC000768824517 622479475 /nfs/dbraw/zinc/47/94/75/622479475.db2.gz GUEPFCYGLPFCOS-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000768936948 622486747 /nfs/dbraw/zinc/48/67/47/622486747.db2.gz JCMHGXAASWLBDQ-CQSZACIVSA-N 0 3 308.853 3.496 20 10 DGCDHN CC[N@H+](CCC(=O)OC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768993350 622490516 /nfs/dbraw/zinc/49/05/16/622490516.db2.gz VCKRWNDQLXKOCZ-UHFFFAOYSA-N 0 3 313.397 3.444 20 10 DGCDHN CC[N@@H+](CCC(=O)OC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768993350 622490517 /nfs/dbraw/zinc/49/05/17/622490517.db2.gz VCKRWNDQLXKOCZ-UHFFFAOYSA-N 0 3 313.397 3.444 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000769230069 622509042 /nfs/dbraw/zinc/50/90/42/622509042.db2.gz XGUGKBKYZHWWRE-UHFFFAOYSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1c([O-])cccc1OC ZINC000769326911 622518022 /nfs/dbraw/zinc/51/80/22/622518022.db2.gz QTNFMZMHVPFYKC-CQSZACIVSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769326911 622518025 /nfs/dbraw/zinc/51/80/25/622518025.db2.gz QTNFMZMHVPFYKC-CQSZACIVSA-N 0 3 315.413 3.472 20 10 DGCDHN CN(C)c1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000769478443 622531914 /nfs/dbraw/zinc/53/19/14/622531914.db2.gz DBILOLXFSVPLOB-UHFFFAOYSA-N 0 3 306.413 3.228 20 10 DGCDHN CC[N@@H+](Cc1c([O-])cccc1OC)C[C@@H](O)c1ccc(C)cc1 ZINC000769481489 622532516 /nfs/dbraw/zinc/53/25/16/622532516.db2.gz BGRSIPXULSFAFA-GOSISDBHSA-N 0 3 315.413 3.265 20 10 DGCDHN CC[N@H+](Cc1c([O-])cccc1OC)C[C@@H](O)c1ccc(C)cc1 ZINC000769481489 622532518 /nfs/dbraw/zinc/53/25/18/622532518.db2.gz BGRSIPXULSFAFA-GOSISDBHSA-N 0 3 315.413 3.265 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)c([O-])c1 ZINC000769504707 622534934 /nfs/dbraw/zinc/53/49/34/622534934.db2.gz YFZWTXPZCNISDE-UHFFFAOYSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1[O-] ZINC000769548146 622539620 /nfs/dbraw/zinc/53/96/20/622539620.db2.gz FZGUDFPRWFUSQI-YJBOKZPZSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1[O-] ZINC000769548146 622539623 /nfs/dbraw/zinc/53/96/23/622539623.db2.gz FZGUDFPRWFUSQI-YJBOKZPZSA-N 0 3 307.434 3.426 20 10 DGCDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000770504530 622640317 /nfs/dbraw/zinc/64/03/17/622640317.db2.gz IJPPRGIEEZUEDH-HIFRSBDPSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[O-] ZINC000770504530 622640319 /nfs/dbraw/zinc/64/03/19/622640319.db2.gz IJPPRGIEEZUEDH-HIFRSBDPSA-N 0 3 320.433 3.270 20 10 DGCDHN Oc1cccc(Cl)c1CN1CCN(Cc2ccccc2)CC1 ZINC000771928035 622817419 /nfs/dbraw/zinc/81/74/19/622817419.db2.gz LEFLTLDGMDRSHD-UHFFFAOYSA-N 0 3 316.832 3.363 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872254534 622867954 /nfs/dbraw/zinc/86/79/54/622867954.db2.gz HDASWCASLXRNRT-MRXNPFEDSA-N 0 3 307.340 3.401 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872254534 622867959 /nfs/dbraw/zinc/86/79/59/622867959.db2.gz HDASWCASLXRNRT-MRXNPFEDSA-N 0 3 307.340 3.401 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC1CCCCC1 ZINC000772798100 622941328 /nfs/dbraw/zinc/94/13/28/622941328.db2.gz OEQLWEPCEDZMCV-HNNXBMFYSA-N 0 3 318.461 3.442 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC1CCCCC1 ZINC000772798100 622941331 /nfs/dbraw/zinc/94/13/31/622941331.db2.gz OEQLWEPCEDZMCV-HNNXBMFYSA-N 0 3 318.461 3.442 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2cccnc2)cc1Cn1cccn1 ZINC000873009246 623016493 /nfs/dbraw/zinc/01/64/93/623016493.db2.gz ZXSJQOLSXSDHFV-HNNXBMFYSA-N 0 3 322.412 3.186 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000773402827 623022826 /nfs/dbraw/zinc/02/28/26/623022826.db2.gz UDIPOUPVONBSPW-VLXJIEOASA-N 0 3 313.397 3.444 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774484873 623150964 /nfs/dbraw/zinc/15/09/64/623150964.db2.gz SXAWVHWDDSXCFS-KKUMJFAQSA-N 0 3 305.466 3.097 20 10 DGCDHN CCO[C@@H](C[NH2+]Cc1c([O-])cccc1OC)c1ccccc1 ZINC000775029216 623218097 /nfs/dbraw/zinc/21/80/97/623218097.db2.gz XXGLQVBRJLKIBK-SFHVURJKSA-N 0 3 301.386 3.268 20 10 DGCDHN CC[C@H]([NH2+]CC(=O)N(CC)c1ccccc1)c1ccccc1[O-] ZINC000775412781 623271728 /nfs/dbraw/zinc/27/17/28/623271728.db2.gz QIRZLYGOIKCNEL-KRWDZBQOSA-N 0 3 312.413 3.486 20 10 DGCDHN CC[C@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccccc1[O-] ZINC000775524438 623283860 /nfs/dbraw/zinc/28/38/60/623283860.db2.gz QGSDQUUKPXTOJG-RDJZCZTQSA-N 0 3 304.434 3.080 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC)C1)c1ccccc1[O-] ZINC000775579981 623292774 /nfs/dbraw/zinc/29/27/74/623292774.db2.gz RQHHXCHVSCQGFJ-FMKPAKJESA-N 0 3 320.433 3.300 20 10 DGCDHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000775580871 623293474 /nfs/dbraw/zinc/29/34/74/623293474.db2.gz MZWOIHPGDKBKAJ-ILXRZTDVSA-N 0 3 320.433 3.218 20 10 DGCDHN COC(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775831440 623338372 /nfs/dbraw/zinc/33/83/72/623338372.db2.gz SCJOVOUYVWQZBW-CQSZACIVSA-N 0 3 312.413 3.390 20 10 DGCDHN CC[C@H]1CCCCN1C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834186 623339608 /nfs/dbraw/zinc/33/96/08/623339608.db2.gz LFXOAGOETXMLMT-WBVHZDCISA-N 0 3 317.477 3.194 20 10 DGCDHN CCCCCn1cc(CNCc2cc(OC)ccc2O)c(C)n1 ZINC000776254468 623401653 /nfs/dbraw/zinc/40/16/53/623401653.db2.gz WUQOMCKWAFGPCY-UHFFFAOYSA-N 0 3 317.433 3.386 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NC[C@H](OC)C(F)(F)F)cc1 ZINC000777007442 623484776 /nfs/dbraw/zinc/48/47/76/623484776.db2.gz MMMQDERJPJWJEO-FZMZJTMJSA-N 0 3 304.356 3.371 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@H](C(C)C)C3)c2c1 ZINC000777969549 623593432 /nfs/dbraw/zinc/59/34/32/623593432.db2.gz RWVGKFBZORIUBF-IBGZPJMESA-N 0 3 315.413 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@H](C(C)C)C3)c2c1 ZINC000777969549 623593434 /nfs/dbraw/zinc/59/34/34/623593434.db2.gz RWVGKFBZORIUBF-IBGZPJMESA-N 0 3 315.413 3.411 20 10 DGCDHN CCOc1ccc(CNCc2cc(F)ccc2OC)c(O)c1 ZINC000778186209 623622345 /nfs/dbraw/zinc/62/23/45/623622345.db2.gz QJMYLSBKAKSGPO-UHFFFAOYSA-N 0 3 305.349 3.228 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c([O-])c1 ZINC000876552338 623641475 /nfs/dbraw/zinc/64/14/75/623641475.db2.gz RJAHELBWDCBQMD-INIZCTEOSA-N 0 3 322.412 3.123 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c([O-])c1 ZINC000876552338 623641481 /nfs/dbraw/zinc/64/14/81/623641481.db2.gz RJAHELBWDCBQMD-INIZCTEOSA-N 0 3 322.412 3.123 20 10 DGCDHN CCCCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876578235 623649585 /nfs/dbraw/zinc/64/95/85/623649585.db2.gz GCDQUXUBPTUCNO-UHFFFAOYSA-N 0 3 318.461 3.219 20 10 DGCDHN Cc1ccc(CN2CCC[C@H](OCC(F)(F)F)C2)c(O)c1 ZINC000876611799 623659585 /nfs/dbraw/zinc/65/95/85/623659585.db2.gz RYOYCFPVECWLCJ-ZDUSSCGKSA-N 0 3 303.324 3.244 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000779093932 623729029 /nfs/dbraw/zinc/72/90/29/623729029.db2.gz MSOUNLKGMNHUOP-UHFFFAOYSA-N 0 3 301.317 3.039 20 10 DGCDHN COc1ccccc1O[C@@H](C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877073507 623784283 /nfs/dbraw/zinc/78/42/83/623784283.db2.gz LXYUKNWGPLPMCL-AWEZNQCLSA-N 0 3 301.386 3.266 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c([O-])c1 ZINC000877117314 623795195 /nfs/dbraw/zinc/79/51/95/623795195.db2.gz SYGAVDSXCIOHPA-OAHLLOKOSA-N 0 3 307.459 3.235 20 10 DGCDHN Cc1cccc(O)c1CNCc1cccnc1OCC(F)F ZINC000877123430 623795885 /nfs/dbraw/zinc/79/58/85/623795885.db2.gz KDOCNVPSWXAANK-UHFFFAOYSA-N 0 3 308.328 3.029 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000877503965 623915271 /nfs/dbraw/zinc/91/52/71/623915271.db2.gz YRGBUFDBVPOLHO-FQEVSTJZSA-N 0 3 311.425 3.227 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000877503965 623915274 /nfs/dbraw/zinc/91/52/74/623915274.db2.gz YRGBUFDBVPOLHO-FQEVSTJZSA-N 0 3 311.425 3.227 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000877505866 623915965 /nfs/dbraw/zinc/91/59/65/623915965.db2.gz JFEVUZFGWMRTIJ-CYBMUJFWSA-N 0 3 308.422 3.094 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000877514531 623918568 /nfs/dbraw/zinc/91/85/68/623918568.db2.gz MPJVEGQHIPBBGQ-UHFFFAOYSA-N 0 3 300.358 3.283 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000877514531 623918574 /nfs/dbraw/zinc/91/85/74/623918574.db2.gz MPJVEGQHIPBBGQ-UHFFFAOYSA-N 0 3 300.358 3.283 20 10 DGCDHN Cc1nocc1CNCc1cc(Br)cc(C)c1O ZINC000877564096 623943772 /nfs/dbraw/zinc/94/37/72/623943772.db2.gz YIJZEMZXIQWWMM-UHFFFAOYSA-N 0 3 311.179 3.049 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(OCCOC(C)C)CC2)c([O-])c1 ZINC000877574972 623948408 /nfs/dbraw/zinc/94/84/08/623948408.db2.gz AXTVNMXNPZPIJU-UHFFFAOYSA-N 0 3 307.434 3.107 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000877602946 623958997 /nfs/dbraw/zinc/95/89/97/623958997.db2.gz AJSYMOAWVCFUGJ-KGLIPLIRSA-N 0 3 322.449 3.482 20 10 DGCDHN CCOC(=O)N1CCC(C)(C[NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000877652932 623978833 /nfs/dbraw/zinc/97/88/33/623978833.db2.gz QRSSDMRPCAUYSN-UHFFFAOYSA-N 0 3 320.433 3.049 20 10 DGCDHN CCC1([NH+]2CCCC2)CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000877674191 623987372 /nfs/dbraw/zinc/98/73/72/623987372.db2.gz NVEPEMMUXAJWIC-UHFFFAOYSA-N 0 3 306.425 3.372 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1[O-] ZINC000877681438 623989001 /nfs/dbraw/zinc/98/90/01/623989001.db2.gz GSUCWMMJAZIOPK-OPQQBVKSSA-N 0 3 314.223 3.119 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@H]1C ZINC000877757054 624023382 /nfs/dbraw/zinc/02/33/82/624023382.db2.gz CZOWFVNGMCHQJQ-CBBWQLFWSA-N 0 3 305.418 3.411 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccnn2C)c1[O-] ZINC000877762685 624025885 /nfs/dbraw/zinc/02/58/85/624025885.db2.gz IRQNRZVGVTUDCT-JTQLQIEISA-N 0 3 324.222 3.047 20 10 DGCDHN CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000877777980 624033385 /nfs/dbraw/zinc/03/33/85/624033385.db2.gz HZESOYBDNAYMRR-GXFFZTMASA-N 0 3 316.239 3.102 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000878354272 624254120 /nfs/dbraw/zinc/25/41/20/624254120.db2.gz HSCJXBNLWQEAPG-LSDHHAIUSA-N 0 3 305.418 3.019 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CC[C@H]1CCOC1)Cc1ccco1 ZINC000783498970 624359355 /nfs/dbraw/zinc/35/93/55/624359355.db2.gz YNXBWPZGMIFVMI-HNNXBMFYSA-N 0 3 301.386 3.414 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CC[C@H]1CCOC1)Cc1ccco1 ZINC000783498970 624359359 /nfs/dbraw/zinc/35/93/59/624359359.db2.gz YNXBWPZGMIFVMI-HNNXBMFYSA-N 0 3 301.386 3.414 20 10 DGCDHN C[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1[O-] ZINC000783508404 624360099 /nfs/dbraw/zinc/36/00/99/624360099.db2.gz KDYJWVNREAKCAZ-HNNXBMFYSA-N 0 3 307.397 3.471 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1F ZINC000783727815 624388194 /nfs/dbraw/zinc/38/81/94/624388194.db2.gz FOKGCJVENIDUKS-KRWDZBQOSA-N 0 3 308.441 3.265 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NCC1CCCCC1)c1ccccc1[O-] ZINC000879648793 624622870 /nfs/dbraw/zinc/62/28/70/624622870.db2.gz DXALRWGLFGHWFD-KGLIPLIRSA-N 0 3 304.434 3.128 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879651346 624624109 /nfs/dbraw/zinc/62/41/09/624624109.db2.gz RRZVNLWXYBDNPS-OFQRWUPVSA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N[C@H]1CCCC[C@@H]1C ZINC000879653372 624626044 /nfs/dbraw/zinc/62/60/44/624626044.db2.gz PITCEMCBUKOSQC-YXWQFLTLSA-N 0 3 304.434 3.126 20 10 DGCDHN CCN(C(=O)C[NH2+][C@@H](C)c1ccccc1[O-])C1CCCCC1 ZINC000879652313 624626091 /nfs/dbraw/zinc/62/60/91/624626091.db2.gz BXLXLBZSUMNEQJ-AWEZNQCLSA-N 0 3 304.434 3.224 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H](C(=O)OC)[C@H]2C)cc1F ZINC000787420453 625008561 /nfs/dbraw/zinc/00/85/61/625008561.db2.gz HGQURIYVOLZGKA-HIFRSBDPSA-N 0 3 322.424 3.055 20 10 DGCDHN CC[C@H](NCc1cccn(CC)c1=O)c1ccc(N(C)C)cc1 ZINC000788607113 625227237 /nfs/dbraw/zinc/22/72/37/625227237.db2.gz IACOAWKLOSCQOX-SFHVURJKSA-N 0 3 313.445 3.175 20 10 DGCDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1c([O-])ccc(Cl)c1F ZINC000790956133 625721502 /nfs/dbraw/zinc/72/15/02/625721502.db2.gz OHDKYFPGSCJGMT-RYUDHWBXSA-N 0 3 314.832 3.395 20 10 DGCDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1c([O-])ccc(Cl)c1F ZINC000790956133 625721509 /nfs/dbraw/zinc/72/15/09/625721509.db2.gz OHDKYFPGSCJGMT-RYUDHWBXSA-N 0 3 314.832 3.395 20 10 DGCDHN CCOc1ccc(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000792192994 625922688 /nfs/dbraw/zinc/92/26/88/625922688.db2.gz PGBPNIHGGHHJQR-ZBFHGGJFSA-N 0 3 307.434 3.428 20 10 DGCDHN CCOc1ccc(C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000792192994 625922694 /nfs/dbraw/zinc/92/26/94/625922694.db2.gz PGBPNIHGGHHJQR-ZBFHGGJFSA-N 0 3 307.434 3.428 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CC[C@H]2C)c1[O-] ZINC000796525189 626058939 /nfs/dbraw/zinc/05/89/39/626058939.db2.gz BRZJMUSOTDHQEM-KCJUWKMLSA-N 0 3 300.196 3.051 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccccc1[O-] ZINC000797132153 626116958 /nfs/dbraw/zinc/11/69/58/626116958.db2.gz KQPPVOSFQDDIGI-YEJXKQKISA-N 0 3 303.427 3.122 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(F)(F)F ZINC000801596207 626411315 /nfs/dbraw/zinc/41/13/15/626411315.db2.gz STCTWTBMWYZNGM-CQSZACIVSA-N 0 3 305.340 3.308 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(F)(F)F ZINC000801596207 626411316 /nfs/dbraw/zinc/41/13/16/626411316.db2.gz STCTWTBMWYZNGM-CQSZACIVSA-N 0 3 305.340 3.308 20 10 DGCDHN CCCCN(CC(=O)NC(C)(C)CC)Cc1ccccc1O ZINC000801597764 626411936 /nfs/dbraw/zinc/41/19/36/626411936.db2.gz OEJLRKNUHZDHIN-UHFFFAOYSA-N 0 3 306.450 3.299 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](SC)C3)c2c1 ZINC000840115461 626768769 /nfs/dbraw/zinc/76/87/69/626768769.db2.gz MBGZELJAKOAVEJ-CQSZACIVSA-N 0 3 303.427 3.491 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](SC)C3)c2c1 ZINC000840115461 626768773 /nfs/dbraw/zinc/76/87/73/626768773.db2.gz MBGZELJAKOAVEJ-CQSZACIVSA-N 0 3 303.427 3.491 20 10 DGCDHN COCCOCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808673636 626848201 /nfs/dbraw/zinc/84/82/01/626848201.db2.gz RGUBHPBDMRPTCY-LBPRGKRZSA-N 0 3 301.814 3.058 20 10 DGCDHN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808682492 626849084 /nfs/dbraw/zinc/84/90/84/626849084.db2.gz RVYZWQWAJPTMNH-NEPJUHHUSA-N 0 3 312.841 3.309 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCO[C@H]2CCOC2)c1[O-] ZINC000808702133 626850834 /nfs/dbraw/zinc/85/08/34/626850834.db2.gz SGUGSJUTNZIMRS-JSGCOSHPSA-N 0 3 313.825 3.200 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1[O-] ZINC000808702136 626850994 /nfs/dbraw/zinc/85/09/94/626850994.db2.gz SGUGSJUTNZIMRS-TZMCWYRMSA-N 0 3 313.825 3.200 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000808706210 626851646 /nfs/dbraw/zinc/85/16/46/626851646.db2.gz FFOKXCRKBLQJTC-AAEUAGOBSA-N 0 3 324.852 3.404 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c1[O-] ZINC000808716670 626853250 /nfs/dbraw/zinc/85/32/50/626853250.db2.gz SFDOZBCFNAGTEE-GFCCVEGCSA-N 0 3 320.820 3.212 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)c1ccccc1[O-] ZINC000808724514 626854376 /nfs/dbraw/zinc/85/43/76/626854376.db2.gz WKRRTXGSWFMMPM-NRSFXHEJSA-N 0 3 316.445 3.080 20 10 DGCDHN Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1C ZINC000840148743 626867860 /nfs/dbraw/zinc/86/78/60/626867860.db2.gz VKOPPWDKJRQYBV-SFHVURJKSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1C ZINC000840148743 626867861 /nfs/dbraw/zinc/86/78/61/626867861.db2.gz VKOPPWDKJRQYBV-SFHVURJKSA-N 0 3 313.397 3.067 20 10 DGCDHN COc1cccc(CNCc2cc(-c3ccccc3)n[nH]2)c1O ZINC000809739597 626944290 /nfs/dbraw/zinc/94/42/90/626944290.db2.gz PDCFTWHCILQSSJ-UHFFFAOYSA-N 0 3 309.369 3.081 20 10 DGCDHN COc1cccc(CNCc2cnc(-c3ccccc3)nc2)c1O ZINC000809739484 626944481 /nfs/dbraw/zinc/94/44/81/626944481.db2.gz MHGXNGUQNRWRKZ-UHFFFAOYSA-N 0 3 321.380 3.148 20 10 DGCDHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809767490 626949552 /nfs/dbraw/zinc/94/95/52/626949552.db2.gz MTDJHSJZKAGEMF-FZMZJTMJSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809767490 626949556 /nfs/dbraw/zinc/94/95/56/626949556.db2.gz MTDJHSJZKAGEMF-FZMZJTMJSA-N 0 3 312.816 3.101 20 10 DGCDHN Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C2 ZINC000810259810 626993947 /nfs/dbraw/zinc/99/39/47/626993947.db2.gz TVXISLYSXACOHX-DOMZBBRYSA-N 0 3 301.361 3.494 20 10 DGCDHN C[C@@H](N[C@@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000886513147 627155415 /nfs/dbraw/zinc/15/54/15/627155415.db2.gz VHPZPYJLJWCSHK-DNVCBOLYSA-N 0 3 323.440 3.256 20 10 DGCDHN C[C@@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000886708668 627195288 /nfs/dbraw/zinc/19/52/88/627195288.db2.gz ADYDFCHCGVOOLE-HZPDHXFCSA-N 0 3 319.445 3.409 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c([O-])c1 ZINC000886764026 627201804 /nfs/dbraw/zinc/20/18/04/627201804.db2.gz JOROCWXJUIAOMU-XSWJXKHESA-N 0 3 305.418 3.078 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(C)cc1[O-] ZINC000886766891 627202215 /nfs/dbraw/zinc/20/22/15/627202215.db2.gz UEIAXASVZSZDGY-WXSAJPJJSA-N 0 3 319.445 3.468 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1cc(F)ccc1[O-] ZINC000886771441 627202913 /nfs/dbraw/zinc/20/29/13/627202913.db2.gz HWRHXCCJGPXAGR-MLOIPWKLSA-N 0 3 323.408 3.155 20 10 DGCDHN CC(C)C[C@H](C[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000811477343 627278919 /nfs/dbraw/zinc/27/89/19/627278919.db2.gz NNIJSKZHKUHADN-OAHLLOKOSA-N 0 3 322.449 3.421 20 10 DGCDHN COc1cc(C)cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000811803399 627322723 /nfs/dbraw/zinc/32/27/23/627322723.db2.gz LFKCFKGWHWYGLR-AWEZNQCLSA-N 0 3 321.808 3.006 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]Cc2c3c(nn2C)CCCC3)c1[O-] ZINC000812773720 627418357 /nfs/dbraw/zinc/41/83/57/627418357.db2.gz OKIASRXXPOKZRY-UHFFFAOYSA-N 0 3 319.836 3.256 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c([O-])c1 ZINC000814171868 627546771 /nfs/dbraw/zinc/54/67/71/627546771.db2.gz XJSYBJISMXGMJI-QGZVFWFLSA-N 0 3 307.434 3.068 20 10 DGCDHN Cc1cc(CN2CCc3ccccc3[C@H]2CO)ccc1N(C)C ZINC000815073119 627622682 /nfs/dbraw/zinc/62/26/82/627622682.db2.gz GIILUWXNKZIQBZ-HXUWFJFHSA-N 0 3 310.441 3.153 20 10 DGCDHN Cc1cc(C)c([C@@H](C)N2CCc3sc(CN)nc3C2)c(O)c1 ZINC000925751779 627787652 /nfs/dbraw/zinc/78/76/52/627787652.db2.gz PSSWPURZMKHWKR-GFCCVEGCSA-N 0 3 317.458 3.044 20 10 DGCDHN Cc1cc(C)c([C@H](C)N2CCc3sc(CN)nc3C2)c(O)c1 ZINC000925751782 627787830 /nfs/dbraw/zinc/78/78/30/627787830.db2.gz PSSWPURZMKHWKR-LBPRGKRZSA-N 0 3 317.458 3.044 20 10 DGCDHN CCC[N@H+](CC)C[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816615660 627815743 /nfs/dbraw/zinc/81/57/43/627815743.db2.gz BOZMZJUOCFAEGN-NSHDSACASA-N 0 3 302.821 3.395 20 10 DGCDHN CCC[N@@H+](CC)C[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816615660 627815746 /nfs/dbraw/zinc/81/57/46/627815746.db2.gz BOZMZJUOCFAEGN-NSHDSACASA-N 0 3 302.821 3.395 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000816625067 627816732 /nfs/dbraw/zinc/81/67/32/627816732.db2.gz PYJGHCXJBSVNRC-QGZVFWFLSA-N 0 3 319.832 3.389 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000816625067 627816734 /nfs/dbraw/zinc/81/67/34/627816734.db2.gz PYJGHCXJBSVNRC-QGZVFWFLSA-N 0 3 319.832 3.389 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC000926904086 627975345 /nfs/dbraw/zinc/97/53/45/627975345.db2.gz DODWSEYZSMIHAV-SCRDCRAPSA-N 0 3 315.335 3.469 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817965381 627977960 /nfs/dbraw/zinc/97/79/60/627977960.db2.gz PVDCGRABTMDXCS-QWHCGFSZSA-N 0 3 302.340 3.189 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972048 627980354 /nfs/dbraw/zinc/98/03/54/627980354.db2.gz SREHQZPIAIMDDI-OPRDCNLKSA-N 0 3 303.233 3.490 20 10 DGCDHN C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1[O-] ZINC000817980291 627982478 /nfs/dbraw/zinc/98/24/78/627982478.db2.gz KMAQIPITWWNOHJ-XHDPSFHLSA-N 0 3 306.356 3.193 20 10 DGCDHN CC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000817980115 627982674 /nfs/dbraw/zinc/98/26/74/627982674.db2.gz IUUILYBMZUXUKA-DGCLKSJQSA-N 0 3 304.768 3.084 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c([O-])c1 ZINC000927015654 627997885 /nfs/dbraw/zinc/99/78/85/627997885.db2.gz RMXOSOZWFBUWDW-HUUCEWRRSA-N 0 3 305.418 3.079 20 10 DGCDHN Oc1ccccc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822526717 628461556 /nfs/dbraw/zinc/46/15/56/628461556.db2.gz WOFIHLGYISWQHS-IAGOWNOFSA-N 0 3 303.789 3.354 20 10 DGCDHN COc1nccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000823448216 628564162 /nfs/dbraw/zinc/56/41/62/628564162.db2.gz VAQJWVADIMONPT-UHFFFAOYSA-N 0 3 313.401 3.136 20 10 DGCDHN COc1nccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000823448216 628564165 /nfs/dbraw/zinc/56/41/65/628564165.db2.gz VAQJWVADIMONPT-UHFFFAOYSA-N 0 3 313.401 3.136 20 10 DGCDHN CCCCN(Cc1c(C)nnn1CC)Cc1ccccc1O ZINC000824344183 628653478 /nfs/dbraw/zinc/65/34/78/628653478.db2.gz FISJFVMNCUCUSI-UHFFFAOYSA-N 0 3 302.422 3.114 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](CC)COCC(F)(F)F)c([O-])c1 ZINC000824556087 628670755 /nfs/dbraw/zinc/67/07/55/628670755.db2.gz ZUUBQJZJGHBJQU-GFCCVEGCSA-N 0 3 321.339 3.238 20 10 DGCDHN CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000824862203 628701183 /nfs/dbraw/zinc/70/11/83/628701183.db2.gz WWZXSLNKXGUFOB-CVEARBPZSA-N 0 3 321.417 3.002 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1Cl ZINC000825900795 628808937 /nfs/dbraw/zinc/80/89/37/628808937.db2.gz RNZLFCJNTSEYCQ-CJNGLKHVSA-N 0 3 308.853 3.413 20 10 DGCDHN CCOc1ccc(CN2CCc3cc(OC)ccc3C2)c(O)c1 ZINC000827305110 628947400 /nfs/dbraw/zinc/94/74/00/628947400.db2.gz MKYZNRDISMPNAZ-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN CC(C)[C@H](O)[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000827525684 628968181 /nfs/dbraw/zinc/96/81/81/628968181.db2.gz CQMLVQOSPJVYHX-MSOLQXFVSA-N 0 3 303.377 3.379 20 10 DGCDHN COc1cccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c1OC ZINC000834517919 629719775 /nfs/dbraw/zinc/71/97/75/629719775.db2.gz AKSXCQNTJBZTSC-OAHLLOKOSA-N 0 3 313.397 3.229 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(O)CCCc3ccccc31)CC2 ZINC000834576159 629732619 /nfs/dbraw/zinc/73/26/19/629732619.db2.gz TUXFIKGISOMZGX-XLIONFOSSA-N 0 3 309.409 3.193 20 10 DGCDHN COCC[C@@H](Cc1ccco1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834761967 629774778 /nfs/dbraw/zinc/77/47/78/629774778.db2.gz WLKBWKVIZWWGOX-HOCLYGCPSA-N 0 3 301.386 3.210 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000834828372 629785086 /nfs/dbraw/zinc/78/50/86/629785086.db2.gz SINYZIFLFYPPSS-SJLPKXTDSA-N 0 3 317.404 3.484 20 10 DGCDHN CCn1nc(C)c(CNC/C=C\c2ccc(N(C)C)cc2)c1C ZINC000835038752 629831085 /nfs/dbraw/zinc/83/10/85/629831085.db2.gz ZQELNTVSMHYMFY-FPLPWBNLSA-N 0 3 312.461 3.389 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@](C)(CO)c2ccccc2)cc1 ZINC000835039079 629831151 /nfs/dbraw/zinc/83/11/51/629831151.db2.gz GDWXKFGZLBORAT-AQKVLALTSA-N 0 3 310.441 3.263 20 10 DGCDHN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 ZINC000835040388 629832131 /nfs/dbraw/zinc/83/21/31/629832131.db2.gz OWCRUTFBDFXWAJ-XITLMJRVSA-N 0 3 323.440 3.383 20 10 DGCDHN COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2c([O-])cccc2OC)c1 ZINC000840973399 630389601 /nfs/dbraw/zinc/38/96/01/630389601.db2.gz LSLXOEHGWKXSNC-HOCLYGCPSA-N 0 3 313.397 3.303 20 10 DGCDHN CC[C@@](C[NH2+]Cc1ccccc1[O-])(C(=O)OC)c1ccccc1 ZINC000840977198 630390182 /nfs/dbraw/zinc/39/01/82/630390182.db2.gz GGUJHBZHUJIYKZ-IBGZPJMESA-N 0 3 313.397 3.003 20 10 DGCDHN CCOc1ccc(C[NH2+]CC(C)(C)c2cccnc2)c([O-])c1 ZINC000840975470 630390382 /nfs/dbraw/zinc/39/03/82/630390382.db2.gz OHVLFEGQUIDHNO-UHFFFAOYSA-N 0 3 300.402 3.253 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840975547 630390480 /nfs/dbraw/zinc/39/04/80/630390480.db2.gz HVKJNHVMIAQCPU-OAHLLOKOSA-N 0 3 313.445 3.191 20 10 DGCDHN [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H]1c1cccc(F)c1 ZINC000841103008 630408478 /nfs/dbraw/zinc/40/84/78/630408478.db2.gz CPROUDBIRSZNLB-JKSUJKDBSA-N 0 3 320.795 3.111 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)c([O-])c1 ZINC000841761117 630462783 /nfs/dbraw/zinc/46/27/83/630462783.db2.gz DJGYDYNWNIRFHW-HNNXBMFYSA-N 0 3 321.461 3.227 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(F)F)C2)c2c1c(F)ccc2[O-] ZINC000841765370 630463769 /nfs/dbraw/zinc/46/37/69/630463769.db2.gz RCBXEVXYDDIVRJ-JFGNBEQYSA-N 0 3 314.351 3.009 20 10 DGCDHN CCC[N@H+](CC[S@@](=O)c1ccccc1)Cc1ccccc1[O-] ZINC000104682349 630507567 /nfs/dbraw/zinc/50/75/67/630507567.db2.gz AYZJXVYJRWZMQB-QFIPXVFZSA-N 0 3 317.454 3.412 20 10 DGCDHN CCC[N@@H+](CC[S@@](=O)c1ccccc1)Cc1ccccc1[O-] ZINC000104682349 630507569 /nfs/dbraw/zinc/50/75/69/630507569.db2.gz AYZJXVYJRWZMQB-QFIPXVFZSA-N 0 3 317.454 3.412 20 10 DGCDHN COc1cc(C)cc(CN2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000842644913 630557755 /nfs/dbraw/zinc/55/77/55/630557755.db2.gz IXTGDNGTDAZLSE-AWEZNQCLSA-N 0 3 305.418 3.243 20 10 DGCDHN Oc1cc2c(cc1CNC1(c3ccccc3F)CCC1)OCO2 ZINC000842746976 630571024 /nfs/dbraw/zinc/57/10/24/630571024.db2.gz GWSIPNVCKTTXOZ-UHFFFAOYSA-N 0 3 315.344 3.429 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)c2c1c(F)ccc2[O-] ZINC000842894847 630591447 /nfs/dbraw/zinc/59/14/47/630591447.db2.gz IRCKGJAZZSZERU-IAQYHMDHSA-N 0 3 301.361 3.362 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000846039246 631207606 /nfs/dbraw/zinc/20/76/06/631207606.db2.gz PZRPHYZVIJPBKZ-LIRRHRJNSA-N 0 3 315.413 3.177 20 10 DGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H](CO)CCF ZINC000846210027 631214947 /nfs/dbraw/zinc/21/49/47/631214947.db2.gz WFFPZWYUZGWFSF-WMZOPIPTSA-N 0 3 317.404 3.376 20 10 DGCDHN CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cc([O-])cs1 ZINC000846654950 631280200 /nfs/dbraw/zinc/28/02/00/631280200.db2.gz LRCPJOAEKVACKI-UHFFFAOYSA-N 0 3 310.463 3.228 20 10 DGCDHN CC[N@H+](CCCNC(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000846657907 631280296 /nfs/dbraw/zinc/28/02/96/631280296.db2.gz HULZJTUFWPVJEN-UHFFFAOYSA-N 0 3 310.463 3.228 20 10 DGCDHN CC[N@@H+](CCCNC(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000846657907 631280298 /nfs/dbraw/zinc/28/02/98/631280298.db2.gz HULZJTUFWPVJEN-UHFFFAOYSA-N 0 3 310.463 3.228 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCc2ccccc2NC1=O ZINC000848922091 631788440 /nfs/dbraw/zinc/78/84/40/631788440.db2.gz LYJMTGAWYCAWMQ-IBGZPJMESA-N 0 3 323.440 3.104 20 10 DGCDHN COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000848927453 631791030 /nfs/dbraw/zinc/79/10/30/631791030.db2.gz FOSKOKFTQDTGTD-CQSZACIVSA-N 0 3 303.333 3.153 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCCCO1 ZINC000848928017 631792548 /nfs/dbraw/zinc/79/25/48/631792548.db2.gz UETBHCFYEKCMMF-UONOGXRCSA-N 0 3 313.825 3.492 20 10 DGCDHN CCOc1ccc(C[NH2+]CCc2noc3ccccc23)c([O-])c1 ZINC000850341797 632118332 /nfs/dbraw/zinc/11/83/32/632118332.db2.gz DXVWWAILUYLTFR-UHFFFAOYSA-N 0 3 312.369 3.264 20 10 DGCDHN COc1ccc(N2CC[C@H](NCc3ccc(F)cc3F)C2)cc1 ZINC000850345600 632120266 /nfs/dbraw/zinc/12/02/66/632120266.db2.gz FVSUVICFHBGTCG-HNNXBMFYSA-N 0 3 318.367 3.342 20 10 DGCDHN Cc1cc(O)c(CNCc2cccnc2N2CCCC2)cc1C ZINC000850352556 632122921 /nfs/dbraw/zinc/12/29/21/632122921.db2.gz AKHDCJMDLCTLJB-UHFFFAOYSA-N 0 3 311.429 3.294 20 10 DGCDHN CC[C@H]([NH2+][C@H](COC)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000850494746 632170620 /nfs/dbraw/zinc/17/06/20/632170620.db2.gz XXXJSMFCZAMDEU-DLBZAZTESA-N 0 3 307.434 3.183 20 10 DGCDHN COC(=O)c1nc(CN[C@@H](C)c2ccccc2O)ccc1Cl ZINC000850515102 632175933 /nfs/dbraw/zinc/17/59/33/632175933.db2.gz ZOQFECBIFUTCBG-JTQLQIEISA-N 0 3 320.776 3.078 20 10 DGCDHN Cc1cncc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000850548779 632189013 /nfs/dbraw/zinc/18/90/13/632189013.db2.gz AANVRQIIWRZDFK-GFCCVEGCSA-N 0 3 305.809 3.346 20 10 DGCDHN COc1cccc([C@@H](C)NCc2c(C3CCC3)cnn2C)c1O ZINC000850552422 632190169 /nfs/dbraw/zinc/19/01/69/632190169.db2.gz WTHOJPAKRGQDBY-GFCCVEGCSA-N 0 3 315.417 3.253 20 10 DGCDHN CNC(=O)CC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCCCC1 ZINC000850556641 632192131 /nfs/dbraw/zinc/19/21/31/632192131.db2.gz RRRFNUGZUYUUBV-OAHLLOKOSA-N 0 3 318.461 3.438 20 10 DGCDHN C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000850572132 632198235 /nfs/dbraw/zinc/19/82/35/632198235.db2.gz BLNMGQLIYQCCLZ-LXIYXOSZSA-N 0 3 303.377 3.347 20 10 DGCDHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)[C@@H]1CCOC1 ZINC000851771899 632489463 /nfs/dbraw/zinc/48/94/63/632489463.db2.gz RDGHRRDRPPCDLB-VQIMIIECSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)[C@@H]1CCOC1 ZINC000851771899 632489467 /nfs/dbraw/zinc/48/94/67/632489467.db2.gz RDGHRRDRPPCDLB-VQIMIIECSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CCC1 ZINC000851840424 632507119 /nfs/dbraw/zinc/50/71/19/632507119.db2.gz GPXVWIZPXBQFAS-MJGOQNOKSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CCC1 ZINC000851840424 632507121 /nfs/dbraw/zinc/50/71/21/632507121.db2.gz GPXVWIZPXBQFAS-MJGOQNOKSA-N 0 3 319.445 3.188 20 10 DGCDHN COCC1=CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000185031028 660198769 /nfs/dbraw/zinc/19/87/69/660198769.db2.gz BLZDVENISDXYSA-UHFFFAOYSA-N 0 3 319.445 3.477 20 10 DGCDHN COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])C2 ZINC000185334715 660215570 /nfs/dbraw/zinc/21/55/70/660215570.db2.gz BHRHPJRVPOOGAD-UKRRQHHQSA-N 0 3 313.397 3.364 20 10 DGCDHN C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cc(F)ccc1[O-] ZINC000186033347 660262156 /nfs/dbraw/zinc/26/21/56/660262156.db2.gz GSWBSCGKOGLIHC-CYBMUJFWSA-N 0 3 322.424 3.269 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000186148104 660270215 /nfs/dbraw/zinc/27/02/15/660270215.db2.gz ZRVABIVGMVORPY-ZJNRKIDTSA-N 0 3 303.377 3.174 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(F)ccc1[O-] ZINC000186095346 660266217 /nfs/dbraw/zinc/26/62/17/660266217.db2.gz IBPJDTUOGOCYCO-WIUDPPPLSA-N 0 3 307.390 3.120 20 10 DGCDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccncc1 ZINC000156470584 660555059 /nfs/dbraw/zinc/55/50/59/660555059.db2.gz UACHKOSPRINPCG-OAHLLOKOSA-N 0 3 313.470 3.486 20 10 DGCDHN C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000706406938 660856880 /nfs/dbraw/zinc/85/68/80/660856880.db2.gz MAWLXPNVZJBCFV-OLZOCXBDSA-N 0 3 308.422 3.298 20 10 DGCDHN Cc1ccncc1C[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000793339478 661025518 /nfs/dbraw/zinc/02/55/18/661025518.db2.gz LKHUYVXDLBEGOA-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN Cc1ccncc1C[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000793339478 661025520 /nfs/dbraw/zinc/02/55/20/661025520.db2.gz LKHUYVXDLBEGOA-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN COc1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)c([O-])c1 ZINC000795989178 661183283 /nfs/dbraw/zinc/18/32/83/661183283.db2.gz FDDDCPCWFUITPI-UHFFFAOYSA-N 0 3 313.397 3.058 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1[O-] ZINC000091859395 655846918 /nfs/dbraw/zinc/84/69/18/655846918.db2.gz KHKWTVBPNFIPAH-VHSXEESVSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@H]2C)c1[O-] ZINC000091859395 655846920 /nfs/dbraw/zinc/84/69/20/655846920.db2.gz KHKWTVBPNFIPAH-VHSXEESVSA-N 0 3 314.223 3.394 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000716181096 661219786 /nfs/dbraw/zinc/21/97/86/661219786.db2.gz XSBMPXXFEYFZSO-WMLDXEAASA-N 0 3 314.404 3.456 20 10 DGCDHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1Cc1ccccc1 ZINC000309849983 656079481 /nfs/dbraw/zinc/07/94/81/656079481.db2.gz ZTJAVIMYEJJSHB-KBXCAEBGSA-N 0 3 314.404 3.284 20 10 DGCDHN COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000187992911 656142786 /nfs/dbraw/zinc/14/27/86/656142786.db2.gz CXXIPGMPMBGGCH-QGZVFWFLSA-N 0 3 303.377 3.221 20 10 DGCDHN COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000187992911 656142788 /nfs/dbraw/zinc/14/27/88/656142788.db2.gz CXXIPGMPMBGGCH-QGZVFWFLSA-N 0 3 303.377 3.221 20 10 DGCDHN COc1ccc2ccc(O)c(CN3C[C@@H](C)OC[C@@H]3C)c2c1 ZINC000026666617 656253871 /nfs/dbraw/zinc/25/38/71/656253871.db2.gz BRBIVJKQPFIOQF-QWHCGFSZSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cccnc2OC(C)C)c1 ZINC000320447657 657543107 /nfs/dbraw/zinc/54/31/07/657543107.db2.gz JFPWKTLBJKYYJO-ZDUSSCGKSA-N 0 3 316.401 3.434 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)N2CCCCC2)c1[O-] ZINC000228671709 658000035 /nfs/dbraw/zinc/00/00/35/658000035.db2.gz MWXLNXXHOSMTBE-GFCCVEGCSA-N 0 3 312.841 3.018 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1[O-] ZINC000275335911 658547740 /nfs/dbraw/zinc/54/77/40/658547740.db2.gz NVVZAMHDIXHAIK-ZWKOPEQDSA-N 0 3 314.223 3.027 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000155815202 658850015 /nfs/dbraw/zinc/85/00/15/658850015.db2.gz AMGJHNVOFOXYQL-UKRRQHHQSA-N 0 3 320.433 3.442 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(C)(C)CC ZINC000174372630 659429860 /nfs/dbraw/zinc/42/98/60/659429860.db2.gz HQBQRGSWBZLNQY-CQSZACIVSA-N 0 3 306.450 3.298 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(C)(C)CC ZINC000174372630 659429862 /nfs/dbraw/zinc/42/98/62/659429862.db2.gz HQBQRGSWBZLNQY-CQSZACIVSA-N 0 3 306.450 3.298 20 10 DGCDHN CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000180024804 659949678 /nfs/dbraw/zinc/94/96/78/659949678.db2.gz CKOVFPBNSALMLV-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000180024804 659949680 /nfs/dbraw/zinc/94/96/80/659949680.db2.gz CKOVFPBNSALMLV-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cc(C#N)ccc2F)c1 ZINC000182315256 660042188 /nfs/dbraw/zinc/04/21/88/660042188.db2.gz VBYBSJZUEWSOHN-NSHDSACASA-N 0 3 300.333 3.262 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183210233 660104584 /nfs/dbraw/zinc/10/45/84/660104584.db2.gz OTCXQXHCMNGMAN-MRXNPFEDSA-N 0 3 305.324 3.324 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183210233 660104585 /nfs/dbraw/zinc/10/45/85/660104585.db2.gz OTCXQXHCMNGMAN-MRXNPFEDSA-N 0 3 305.324 3.324 20 10 DGCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCc2ccccc2C1 ZINC000183455761 660113516 /nfs/dbraw/zinc/11/35/16/660113516.db2.gz NVHOTRRHDOFQAY-HZPDHXFCSA-N 0 3 310.441 3.490 20 10 DGCDHN C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1[O-] ZINC000183459592 660115340 /nfs/dbraw/zinc/11/53/40/660115340.db2.gz KNBRQQYWFQAQGM-HNNXBMFYSA-N 0 3 312.413 3.080 20 10 DGCDHN CCN(CC[NH2+][C@@H](C)c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000183484674 660117995 /nfs/dbraw/zinc/11/79/95/660117995.db2.gz XCBMHTLYKQOAMK-ZDUSSCGKSA-N 0 3 308.422 3.300 20 10 DGCDHN COc1cc2c(cc1OC)CN(Cc1cccc(C)c1O)CC2 ZINC000183507711 660119525 /nfs/dbraw/zinc/11/95/25/660119525.db2.gz FISQCMHKXYDREP-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183511380 660121022 /nfs/dbraw/zinc/12/10/22/660121022.db2.gz ZTTMKZAPVBBZKB-STQMWFEESA-N 0 3 306.406 3.052 20 10 DGCDHN C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccccc1[O-] ZINC000183599619 660125769 /nfs/dbraw/zinc/12/57/69/660125769.db2.gz CRVKZKAYJQVECV-CYBMUJFWSA-N 0 3 316.376 3.002 20 10 DGCDHN COc1ccc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2)nc1 ZINC000934342951 661699814 /nfs/dbraw/zinc/69/98/14/661699814.db2.gz FBOLLIFLIZCVDB-IBGZPJMESA-N 0 3 311.429 3.493 20 10 DGCDHN COc1ccccc1N1CCN(Cc2cc(C)ccc2O)CC1 ZINC000155975134 661856063 /nfs/dbraw/zinc/85/60/63/661856063.db2.gz CTNXDKDEEHNRCY-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000076074404 661966820 /nfs/dbraw/zinc/96/68/20/661966820.db2.gz TVLNVRNFBVTWNR-HUUCEWRRSA-N 0 3 306.450 3.298 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000076074404 661966821 /nfs/dbraw/zinc/96/68/21/661966821.db2.gz TVLNVRNFBVTWNR-HUUCEWRRSA-N 0 3 306.450 3.298 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000076894601 662004465 /nfs/dbraw/zinc/00/44/65/662004465.db2.gz KUHSIKBYCNGWIP-UHFFFAOYSA-N 0 3 311.410 3.243 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000194683725 662171247 /nfs/dbraw/zinc/17/12/47/662171247.db2.gz ZXEFJTHSFIFQBQ-LLVKDONJSA-N 0 3 302.330 3.160 20 10 DGCDHN COc1cccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000093324805 662352331 /nfs/dbraw/zinc/35/23/31/662352331.db2.gz IFBYATLEIJMXFA-ZDUSSCGKSA-N 0 3 301.386 3.169 20 10 DGCDHN COc1cccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000093324805 662352333 /nfs/dbraw/zinc/35/23/33/662352333.db2.gz IFBYATLEIJMXFA-ZDUSSCGKSA-N 0 3 301.386 3.169 20 10 DGCDHN COc1cccc(CN2CCOC3(C2)CCCCCC3)c1O ZINC000093769225 662359700 /nfs/dbraw/zinc/35/97/00/662359700.db2.gz NAMNWTUYWYXPRL-UHFFFAOYSA-N 0 3 305.418 3.326 20 10 DGCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C[C@H](C)OC ZINC000383337929 685166767 /nfs/dbraw/zinc/16/67/67/685166767.db2.gz HAUXVBMXDKEVEG-NSHDSACASA-N 0 3 316.239 3.320 20 10 DGCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C[C@H](C)OC ZINC000383337929 685166768 /nfs/dbraw/zinc/16/67/68/685166768.db2.gz HAUXVBMXDKEVEG-NSHDSACASA-N 0 3 316.239 3.320 20 10 DGCDHN COc1ccc(CNCc2ccccc2O)c(Br)c1 ZINC000388037872 685187228 /nfs/dbraw/zinc/18/72/28/685187228.db2.gz YDISGPZCTUDCJY-UHFFFAOYSA-N 0 3 322.202 3.453 20 10 DGCDHN Nc1ccc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC001580445475 1192027261 /nfs/dbraw/zinc/02/72/61/1192027261.db2.gz FXQAVIWCTJMMBF-OAHLLOKOSA-N 0 3 310.319 3.111 20 10 DGCDHN CCCOc1ccc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1C ZINC001620830196 1192283837 /nfs/dbraw/zinc/28/38/37/1192283837.db2.gz CNMFNRFJLMEQQA-MRXNPFEDSA-N 0 3 318.461 3.273 20 10 DGCDHN CCOc1ccc(N2CCN(C[C@@H](O)CCC(C)C)CC2)cc1 ZINC001344438603 1179433385 /nfs/dbraw/zinc/43/33/85/1179433385.db2.gz FTBDNTJEWNBWRB-SFHVURJKSA-N 0 3 320.477 3.004 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCC(=O)NC1CCCCC1 ZINC001200186070 1180432078 /nfs/dbraw/zinc/43/20/78/1180432078.db2.gz WCOODXOUMZRAJU-UHFFFAOYSA-N 0 3 313.445 3.025 20 10 DGCDHN CCCN(CC[NH+]1CCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC001621325222 1193149173 /nfs/dbraw/zinc/14/91/73/1193149173.db2.gz KCPDKDLTGCGVDN-UHFFFAOYSA-N 0 3 314.832 3.493 20 10 DGCDHN CC(C)CN1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001461033515 1182759829 /nfs/dbraw/zinc/75/98/29/1182759829.db2.gz ZLFOBKNMQWLBHZ-UHFFFAOYSA-N 0 3 314.832 3.395 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cnn(-c3ccccc3C)c2)c([O-])c1 ZINC001462151029 1182915569 /nfs/dbraw/zinc/91/55/69/1182915569.db2.gz ZGJMWWBDJGAHSO-UHFFFAOYSA-N 0 3 323.396 3.185 20 10 DGCDHN COc1ccc(CNCc2cnn(-c3ccccc3C)c2)c(O)c1 ZINC001462151029 1182915572 /nfs/dbraw/zinc/91/55/72/1182915572.db2.gz ZGJMWWBDJGAHSO-UHFFFAOYSA-N 0 3 323.396 3.185 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC(C)(C)C2=CCOCC2)c([O-])c1 ZINC001462676891 1182984626 /nfs/dbraw/zinc/98/46/26/1182984626.db2.gz NEHGALABBFQHHV-UHFFFAOYSA-N 0 3 305.418 3.172 20 10 DGCDHN C[C@H](N[C@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(N(C)C)cc1 ZINC001474116797 1183869936 /nfs/dbraw/zinc/86/99/36/1183869936.db2.gz HAYJVTHDECRTLR-JQFCIGGWSA-N 0 3 322.424 3.037 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(Br)nc1)c1ccccc1[O-] ZINC001474253836 1183890597 /nfs/dbraw/zinc/89/05/97/1183890597.db2.gz XDQOBHUPJLXKHQ-SNVBAGLBSA-N 0 3 307.191 3.401 20 10 DGCDHN CN(C)c1ccc(CN(C)C[C@H]2C[C@@]2(C)Br)cc1 ZINC001474307434 1183902113 /nfs/dbraw/zinc/90/21/13/1183902113.db2.gz LXNVTJNSUGXOEJ-UKRRQHHQSA-N 0 3 311.267 3.358 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])CC1(c2ccc3c(c2)OCO3)CC1 ZINC001474376821 1183912283 /nfs/dbraw/zinc/91/22/83/1183912283.db2.gz UNEMZVRLENHFFU-UHFFFAOYSA-N 0 3 311.381 3.285 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])CC1(c2ccc3c(c2)OCO3)CC1 ZINC001474376821 1183912287 /nfs/dbraw/zinc/91/22/87/1183912287.db2.gz UNEMZVRLENHFFU-UHFFFAOYSA-N 0 3 311.381 3.285 20 10 DGCDHN COc1ccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])c(O)c1 ZINC001474472789 1183928635 /nfs/dbraw/zinc/92/86/35/1183928635.db2.gz FJHJGYJDXBZDCC-UHFFFAOYSA-N 0 3 322.748 3.252 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC(C3CCOCC3)CC2)c([O-])c1 ZINC001474594012 1183946250 /nfs/dbraw/zinc/94/62/50/1183946250.db2.gz OOJXDBYTBQGBPL-UHFFFAOYSA-N 0 3 319.445 3.348 20 10 DGCDHN [O-]c1cccc(F)c1C[NH2+]Cc1ncccc1C(F)(F)F ZINC001474716342 1183967757 /nfs/dbraw/zinc/96/77/57/1183967757.db2.gz KCAYESMEQJWXSX-UHFFFAOYSA-N 0 3 300.255 3.235 20 10 DGCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C ZINC001537484508 1188077975 /nfs/dbraw/zinc/07/79/75/1188077975.db2.gz WXPKUGSCNQOJDN-PBHICJAKSA-N 0 3 319.493 3.154 20 10 DGCDHN C[C@@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)c1ccccc1[O-] ZINC001560575426 1189343054 /nfs/dbraw/zinc/34/30/54/1189343054.db2.gz KQKPLHRDMJYKBC-CYBMUJFWSA-N 0 3 308.385 3.039 20 10 DGCDHN COC(=O)c1c(CN2C[C@H](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001560687725 1189361325 /nfs/dbraw/zinc/36/13/25/1189361325.db2.gz OGMAXGMZJLPJSG-RYUDHWBXSA-N 0 3 318.392 3.192 20 10 DGCDHN CC(C)c1ccc([O-])c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC001560845480 1189393064 /nfs/dbraw/zinc/39/30/64/1189393064.db2.gz VKAHZSQSJKOYIA-IEBWSBKVSA-N 0 3 303.446 3.402 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001621567212 1193859363 /nfs/dbraw/zinc/85/93/63/1193859363.db2.gz GCASHHFFDCMGBG-SFHVURJKSA-N 0 3 301.361 3.495 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001621567212 1193859364 /nfs/dbraw/zinc/85/93/64/1193859364.db2.gz GCASHHFFDCMGBG-SFHVURJKSA-N 0 3 301.361 3.495 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@H]1COc2ccccc2[C@@H]1O ZINC001651156613 1195421573 /nfs/dbraw/zinc/42/15/73/1195421573.db2.gz GRIIASJYZQQPFM-JXFKEZNVSA-N 0 3 322.408 3.071 20 10 DGCDHN Fc1cc(CN[C@@H]2CCCC[C@@H]2F)ccc1N1CCOCC1 ZINC001651400210 1195454449 /nfs/dbraw/zinc/45/44/49/1195454449.db2.gz JBSRHPICJQSBEA-GOEBONIOSA-N 0 3 310.388 3.033 20 10 DGCDHN C[C@@H]1CC[C@@](CO)(NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC001651685037 1195496659 /nfs/dbraw/zinc/49/66/59/1195496659.db2.gz SYVKSAAPKZUASP-VFNWGFHPSA-N 0 3 323.436 3.496 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1nsc2ccccc12 ZINC001652885305 1195667001 /nfs/dbraw/zinc/66/70/01/1195667001.db2.gz JOMREOOJPGISJU-UHFFFAOYSA-N 0 3 302.374 3.473 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@@H]2CCC[C@]23CCCO3)cc1F ZINC001656844403 1196075313 /nfs/dbraw/zinc/07/53/13/1196075313.db2.gz FDEUKZWXIPXVHE-SJORKVTESA-N 0 3 310.388 3.222 20 10 DGCDHN Cc1ccc(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)c(O)c1 ZINC001657453057 1196143700 /nfs/dbraw/zinc/14/37/00/1196143700.db2.gz GGHGZQMFWBGDRM-SFHVURJKSA-N 0 3 324.424 3.328 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1F ZINC001657926700 1196194181 /nfs/dbraw/zinc/19/41/81/1196194181.db2.gz YQIAVVQMKYGWPX-PLQHRBFRSA-N 0 3 310.388 3.078 20 10 DGCDHN CO[C@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001658102527 1196211783 /nfs/dbraw/zinc/21/17/83/1196211783.db2.gz RNTSQRAEJWNFIR-CVEARBPZSA-N 0 3 310.388 3.078 20 10 DGCDHN COc1ccc(Cl)cc1[C@@H](O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC001658104943 1196212351 /nfs/dbraw/zinc/21/23/51/1196212351.db2.gz MFIDMRPPDVEUSG-INIZCTEOSA-N 0 3 321.804 3.186 20 10 DGCDHN CCOC(OCC)[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001658197232 1196224324 /nfs/dbraw/zinc/22/43/24/1196224324.db2.gz CJUKNZCXSIAWGK-OAHLLOKOSA-N 0 3 306.450 3.164 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCC[C@@H]2CCCCO2)c1[O-] ZINC001658753337 1196296628 /nfs/dbraw/zinc/29/66/28/1196296628.db2.gz RCGGYZFYPCBYJQ-AWEZNQCLSA-N 0 3 313.825 3.493 20 10 DGCDHN COCC[N@H+](Cc1c(C)cc(OC)cc1[O-])[C@H]1CC[C@H](C)C1 ZINC001659643913 1196401960 /nfs/dbraw/zinc/40/19/60/1196401960.db2.gz MHZOANUDCPFCNC-ZFWWWQNUSA-N 0 3 307.434 3.346 20 10 DGCDHN COCC[N@@H+](Cc1c(C)cc(OC)cc1[O-])[C@H]1CC[C@H](C)C1 ZINC001659643913 1196401961 /nfs/dbraw/zinc/40/19/61/1196401961.db2.gz MHZOANUDCPFCNC-ZFWWWQNUSA-N 0 3 307.434 3.346 20 10 DGCDHN COc1cc(C)c(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c([O-])c1 ZINC001659976950 1196433641 /nfs/dbraw/zinc/43/36/41/1196433641.db2.gz ISMHFRGISBFJTN-CYBMUJFWSA-N 0 3 313.397 3.322 20 10 DGCDHN COC(=O)[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])CC1CCCC1 ZINC001660178725 1196454772 /nfs/dbraw/zinc/45/47/72/1196454772.db2.gz SIINVZSRUHPHTR-MRXNPFEDSA-N 0 3 305.418 3.160 20 10 DGCDHN CCc1cccc(C[NH2+]CCc2c(F)cc([O-])cc2F)c1O ZINC001660766373 1196521600 /nfs/dbraw/zinc/52/16/00/1196521600.db2.gz KHUPROZAKCYNAZ-UHFFFAOYSA-N 0 3 307.340 3.271 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC001664441107 1196999477 /nfs/dbraw/zinc/99/94/77/1196999477.db2.gz VVUAUSNFRJRKBE-KBPBESRZSA-N 0 3 307.434 3.393 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001664934747 1197080082 /nfs/dbraw/zinc/08/00/82/1197080082.db2.gz SOBVRTTVGVOIAT-SFHVURJKSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001664934747 1197080088 /nfs/dbraw/zinc/08/00/88/1197080088.db2.gz SOBVRTTVGVOIAT-SFHVURJKSA-N 0 3 305.418 3.254 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2(Br)CC2)c1[O-] ZINC001665808797 1197200441 /nfs/dbraw/zinc/20/04/41/1197200441.db2.gz FJGMOPVMZFYTRD-UHFFFAOYSA-N 0 3 320.614 3.071 20 10 DGCDHN CC(C)CCOC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001666608718 1197273052 /nfs/dbraw/zinc/27/30/52/1197273052.db2.gz HRVDROLRBZNMRS-KRWDZBQOSA-N 0 3 321.465 3.128 20 10 DGCDHN CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000226650963 1202589568 /nfs/dbraw/zinc/58/95/68/1202589568.db2.gz CPNYZUDXNIGWEV-OAHLLOKOSA-N 0 3 320.433 3.271 20 10 DGCDHN CN(Cc1ccc(Br)n1C)Cc1ccccc1O ZINC001248777090 1105159882 /nfs/dbraw/zinc/15/98/82/1105159882.db2.gz XSXWANUUNYJFNF-UHFFFAOYSA-N 0 3 309.207 3.125 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC001169733704 1081645892 /nfs/dbraw/zinc/64/58/92/1081645892.db2.gz WXVWPFNUKNLYAD-DOTOQJQBSA-N 0 3 324.424 3.348 20 10 DGCDHN COc1cc(C)c(CN[C@H]2CCOc3c(F)cccc32)c(O)c1 ZINC001180897750 1083374087 /nfs/dbraw/zinc/37/40/87/1083374087.db2.gz YXQCBERLSORFGN-INIZCTEOSA-N 0 3 317.360 3.462 20 10 DGCDHN Cc1ccc(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)c([O-])c1 ZINC001181206749 1083427368 /nfs/dbraw/zinc/42/73/68/1083427368.db2.gz YOVYTLHMRXGAPN-PKNBQFBNSA-N 0 3 324.424 3.010 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c([O-])c1 ZINC001182297032 1083677409 /nfs/dbraw/zinc/67/74/09/1083677409.db2.gz BNMLCEBDBBIWJH-ZWKOTPCHSA-N 0 3 319.445 3.082 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c([O-])c1 ZINC001182297032 1083677421 /nfs/dbraw/zinc/67/74/21/1083677421.db2.gz BNMLCEBDBBIWJH-ZWKOTPCHSA-N 0 3 319.445 3.082 20 10 DGCDHN CC[N@H+](Cc1cc(C)c(Br)cc1[O-])CC(C)(C)O ZINC001250133331 1084051789 /nfs/dbraw/zinc/05/17/89/1084051789.db2.gz KYOKZAFVKRTLBJ-UHFFFAOYSA-N 0 3 316.239 3.056 20 10 DGCDHN CC[N@@H+](Cc1cc(C)c(Br)cc1[O-])CC(C)(C)O ZINC001250133331 1084051803 /nfs/dbraw/zinc/05/18/03/1084051803.db2.gz KYOKZAFVKRTLBJ-UHFFFAOYSA-N 0 3 316.239 3.056 20 10 DGCDHN Cc1cc2cc(NCCc3cc(O)c(O)cc3O)ccc2cn1 ZINC001168015706 1086297576 /nfs/dbraw/zinc/29/75/76/1086297576.db2.gz GASCGPYEGOGDOD-UHFFFAOYSA-N 0 3 310.353 3.315 20 10 DGCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/C(C)(C)C)N(C)C)cc1 ZINC001158718427 1087988444 /nfs/dbraw/zinc/98/84/44/1087988444.db2.gz XRRZHGJDXWOLKH-UJGDBWEASA-N 0 3 317.477 3.074 20 10 DGCDHN CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272619470 1088326532 /nfs/dbraw/zinc/32/65/32/1088326532.db2.gz WEGFARPZDAJIDD-IBGZPJMESA-N 0 3 316.445 3.149 20 10 DGCDHN CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272619470 1088326543 /nfs/dbraw/zinc/32/65/43/1088326543.db2.gz WEGFARPZDAJIDD-IBGZPJMESA-N 0 3 316.445 3.149 20 10 DGCDHN CN(C)c1cccc(NCc2cc(Br)ccc2O)n1 ZINC001160012750 1088601598 /nfs/dbraw/zinc/60/15/98/1088601598.db2.gz TVMWFBGUSMBVDK-UHFFFAOYSA-N 0 3 322.206 3.228 20 10 DGCDHN CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001203555651 1090754674 /nfs/dbraw/zinc/75/46/74/1090754674.db2.gz BHHXUFACKJWMBB-UHFFFAOYSA-N 0 3 308.422 3.127 20 10 DGCDHN CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001203555651 1090754678 /nfs/dbraw/zinc/75/46/78/1090754678.db2.gz BHHXUFACKJWMBB-UHFFFAOYSA-N 0 3 308.422 3.127 20 10 DGCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])N1c1ccccc1 ZINC001203552120 1090754698 /nfs/dbraw/zinc/75/46/98/1090754698.db2.gz BKWCJQBJGYGXRQ-QZTJIDSGSA-N 0 3 322.408 3.162 20 10 DGCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])N1c1ccccc1 ZINC001203552120 1090754704 /nfs/dbraw/zinc/75/47/04/1090754704.db2.gz BKWCJQBJGYGXRQ-QZTJIDSGSA-N 0 3 322.408 3.162 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203558653 1090755841 /nfs/dbraw/zinc/75/58/41/1090755841.db2.gz SKLOEWFOJVVHRG-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203558653 1090755844 /nfs/dbraw/zinc/75/58/44/1090755844.db2.gz SKLOEWFOJVVHRG-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001203560584 1090756887 /nfs/dbraw/zinc/75/68/87/1090756887.db2.gz DGMCZLRRASGDJP-HIFRSBDPSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001203560584 1090756889 /nfs/dbraw/zinc/75/68/89/1090756889.db2.gz DGMCZLRRASGDJP-HIFRSBDPSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1 ZINC001203562343 1090757733 /nfs/dbraw/zinc/75/77/33/1090757733.db2.gz IQBKWPHCJYTLJY-OAHLLOKOSA-N 0 3 314.404 3.410 20 10 DGCDHN COc1cccc(CN2CC[C@@H]2COCc2ccccc2)c1O ZINC001203595808 1090764287 /nfs/dbraw/zinc/76/42/87/1090764287.db2.gz NUTUOYDWMHKURY-QGZVFWFLSA-N 0 3 313.397 3.192 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c([O-])c1 ZINC001203630365 1090768738 /nfs/dbraw/zinc/76/87/38/1090768738.db2.gz QXFIGOIVJDJTQV-GOSISDBHSA-N 0 3 313.397 3.192 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c([O-])c1 ZINC001203630365 1090768745 /nfs/dbraw/zinc/76/87/45/1090768745.db2.gz QXFIGOIVJDJTQV-GOSISDBHSA-N 0 3 313.397 3.192 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(O)c(O)c1 ZINC001203878810 1090825499 /nfs/dbraw/zinc/82/54/99/1090825499.db2.gz CLRWOCNTRFTXQI-UHFFFAOYSA-N 0 3 300.402 3.186 20 10 DGCDHN CCN(CC)c1ccc(CN2CCc3c(cc[nH]c3=O)C2)cc1 ZINC001203941984 1090846099 /nfs/dbraw/zinc/84/60/99/1090846099.db2.gz JBNQUOUBWAIDKS-UHFFFAOYSA-N 0 3 311.429 3.192 20 10 DGCDHN C[N@H+](Cc1cccc(Br)c1)Cc1ccc(O)cc1[O-] ZINC001204276585 1090938230 /nfs/dbraw/zinc/93/82/30/1090938230.db2.gz NSVDWEPSLZUBAE-UHFFFAOYSA-N 0 3 322.202 3.492 20 10 DGCDHN C[N@@H+](Cc1cccc(Br)c1)Cc1ccc(O)cc1[O-] ZINC001204276585 1090938232 /nfs/dbraw/zinc/93/82/32/1090938232.db2.gz NSVDWEPSLZUBAE-UHFFFAOYSA-N 0 3 322.202 3.492 20 10 DGCDHN COC1(c2ccccc2)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204279994 1090939330 /nfs/dbraw/zinc/93/93/30/1090939330.db2.gz HSWXKXOAVYKCLL-UHFFFAOYSA-N 0 3 313.397 3.236 20 10 DGCDHN FC1(F)CO[C@@]2(CCN(Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204328125 1090950754 /nfs/dbraw/zinc/95/07/54/1090950754.db2.gz CIQIPISZJNOGAL-KRWDZBQOSA-N 0 3 322.399 3.287 20 10 DGCDHN CC[C@H](C)[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC001205101414 1091102053 /nfs/dbraw/zinc/10/20/53/1091102053.db2.gz SBSKIDZNEJTXHK-VDZJLULYSA-N 0 3 321.461 3.434 20 10 DGCDHN CC[C@H](C)[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC001205101414 1091102056 /nfs/dbraw/zinc/10/20/56/1091102056.db2.gz SBSKIDZNEJTXHK-VDZJLULYSA-N 0 3 321.461 3.434 20 10 DGCDHN COC(=O)c1ccc2c(C[N@H+](C)Cc3ccccc3[O-])c[nH]c2c1 ZINC001138267276 1091129391 /nfs/dbraw/zinc/12/93/91/1091129391.db2.gz FRYBBQPDGXFLDC-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN COC(=O)c1ccc2c(C[N@@H+](C)Cc3ccccc3[O-])c[nH]c2c1 ZINC001138267276 1091129395 /nfs/dbraw/zinc/12/93/95/1091129395.db2.gz FRYBBQPDGXFLDC-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN C[C@@H]1C[C@@H](F)CN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338347 1091146700 /nfs/dbraw/zinc/14/67/00/1091146700.db2.gz OXCPNINUAJOJAR-IUODEOHRSA-N 0 3 304.409 3.023 20 10 DGCDHN C[C@@]1(F)CCCN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338219 1091147382 /nfs/dbraw/zinc/14/73/82/1091147382.db2.gz NOEZDOQCQFYLFB-LJQANCHMSA-N 0 3 318.436 3.415 20 10 DGCDHN CCN(CC)c1ccc(CN2CCN(C)C(C)(C)C2)c(OC)c1 ZINC001138390380 1091166082 /nfs/dbraw/zinc/16/60/82/1091166082.db2.gz UYCONNQNLNUACB-UHFFFAOYSA-N 0 3 319.493 3.067 20 10 DGCDHN [O-]c1cccc(F)c1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC001137837921 1091209380 /nfs/dbraw/zinc/20/93/80/1091209380.db2.gz ZGJLDEBWHBQEOA-UHFFFAOYSA-N 0 3 314.404 3.239 20 10 DGCDHN [O-]c1cccc(F)c1C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001137837921 1091209391 /nfs/dbraw/zinc/20/93/91/1091209391.db2.gz ZGJLDEBWHBQEOA-UHFFFAOYSA-N 0 3 314.404 3.239 20 10 DGCDHN C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001206811506 1091751280 /nfs/dbraw/zinc/75/12/80/1091751280.db2.gz VQZOMMZBCGPADD-ZJUUUORDSA-N 0 3 303.233 3.258 20 10 DGCDHN Cc1ccc(C)c(CN2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC001140184497 1091794564 /nfs/dbraw/zinc/79/45/64/1091794564.db2.gz WURXYNGEGNRPFN-SFHVURJKSA-N 0 3 311.425 3.453 20 10 DGCDHN C[C@]1(F)CCCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282877 1091814940 /nfs/dbraw/zinc/81/49/40/1091814940.db2.gz IXFQNVBNKJJSTF-IBGZPJMESA-N 0 3 320.452 3.362 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140342706 1091836102 /nfs/dbraw/zinc/83/61/02/1091836102.db2.gz VIBHUTHAQZOPQN-GJZGRUSLSA-N 0 3 312.816 3.054 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001140623113 1091934716 /nfs/dbraw/zinc/93/47/16/1091934716.db2.gz LNROZFYWRUJVCX-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN COc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950179 1092076581 /nfs/dbraw/zinc/07/65/81/1092076581.db2.gz UIWNCTHKIKMJHP-INIZCTEOSA-N 0 3 313.397 3.363 20 10 DGCDHN COc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950179 1092076592 /nfs/dbraw/zinc/07/65/92/1092076592.db2.gz UIWNCTHKIKMJHP-INIZCTEOSA-N 0 3 313.397 3.363 20 10 DGCDHN CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950353 1092077149 /nfs/dbraw/zinc/07/71/49/1092077149.db2.gz QZTVDNVXGIJPAA-IBGZPJMESA-N 0 3 316.445 3.068 20 10 DGCDHN CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950353 1092077155 /nfs/dbraw/zinc/07/71/55/1092077155.db2.gz QZTVDNVXGIJPAA-IBGZPJMESA-N 0 3 316.445 3.068 20 10 DGCDHN Cc1ccc(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140954344 1092080120 /nfs/dbraw/zinc/08/01/20/1092080120.db2.gz QQIYZZPWFBJZDX-UHFFFAOYSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC001140954485 1092080518 /nfs/dbraw/zinc/08/05/18/1092080518.db2.gz UHMUUDKICWSOOL-QGZVFWFLSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC001140954485 1092080528 /nfs/dbraw/zinc/08/05/28/1092080528.db2.gz UHMUUDKICWSOOL-QGZVFWFLSA-N 0 3 301.361 3.493 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1cccc(-c3ncccn3)c1)CC2 ZINC001140980605 1092094600 /nfs/dbraw/zinc/09/46/00/1092094600.db2.gz FCQHQMZNUUEOFE-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1cccc(-c3ncccn3)c1)CC2 ZINC001140980605 1092094607 /nfs/dbraw/zinc/09/46/07/1092094607.db2.gz FCQHQMZNUUEOFE-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(OC)c1 ZINC001141028450 1092111313 /nfs/dbraw/zinc/11/13/13/1092111313.db2.gz OZHWJYLHFCLDCQ-KGLIPLIRSA-N 0 3 305.418 3.422 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(OC)c1 ZINC001141028450 1092111316 /nfs/dbraw/zinc/11/13/16/1092111316.db2.gz OZHWJYLHFCLDCQ-KGLIPLIRSA-N 0 3 305.418 3.422 20 10 DGCDHN Oc1ccc(O)c(CN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC001141158913 1092155763 /nfs/dbraw/zinc/15/57/63/1092155763.db2.gz RIXGZXNDKBJGLU-UHFFFAOYSA-N 0 3 317.360 3.280 20 10 DGCDHN C[C@@H]([NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001168826167 1092384815 /nfs/dbraw/zinc/38/48/15/1092384815.db2.gz XABWROMBTCSVEX-MJBXVCDLSA-N 0 3 320.433 3.441 20 10 DGCDHN CCCC[NH+]1CCC(N(C)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142531307 1092498067 /nfs/dbraw/zinc/49/80/67/1092498067.db2.gz SUQPUVRMRPKUOD-UHFFFAOYSA-N 0 3 312.404 3.367 20 10 DGCDHN [NH3+]C[C@H]1CCCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001206639006 1092868322 /nfs/dbraw/zinc/86/83/22/1092868322.db2.gz AJMYIKDGMBUKSV-SNVBAGLBSA-N 0 3 303.233 3.260 20 10 DGCDHN CCOC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCC1 ZINC000315175660 1095092126 /nfs/dbraw/zinc/09/21/26/1095092126.db2.gz JDTHUPZSFFHFIK-UHFFFAOYSA-N 0 3 313.825 3.493 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171099764 1095365339 /nfs/dbraw/zinc/36/53/39/1095365339.db2.gz KYZRNYWTJILHCM-OAHLLOKOSA-N 0 3 303.789 3.398 20 10 DGCDHN CC[C@@H](NCc1ccc(N2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC001116425118 1095544702 /nfs/dbraw/zinc/54/47/02/1095544702.db2.gz TYNGBRSIEAQIFB-CABCVRRESA-N 0 3 316.367 3.078 20 10 DGCDHN CC[C@H](NCc1ccc(N2CCCC2)cc1)[C@@H](O)C(F)(F)F ZINC001116425121 1095545775 /nfs/dbraw/zinc/54/57/75/1095545775.db2.gz TYNGBRSIEAQIFB-LSDHHAIUSA-N 0 3 316.367 3.078 20 10 DGCDHN [O-]c1ccc(F)c(Cl)c1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320494 1095549331 /nfs/dbraw/zinc/54/93/31/1095549331.db2.gz IKADMKXEGMGFEC-MRXNPFEDSA-N 0 3 312.816 3.293 20 10 DGCDHN CC[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC001116889982 1095692653 /nfs/dbraw/zinc/69/26/53/1095692653.db2.gz LUYGCSIBOAHMDP-NVXWUHKLSA-N 0 3 318.461 3.390 20 10 DGCDHN C[N@H+](Cc1c([O-])cc(O)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC001144509072 1095698456 /nfs/dbraw/zinc/69/84/56/1095698456.db2.gz KCBKOVMCQURMDC-UHFFFAOYSA-N 0 3 303.402 3.204 20 10 DGCDHN C[N@@H+](Cc1c([O-])cc(O)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC001144509072 1095698462 /nfs/dbraw/zinc/69/84/62/1095698462.db2.gz KCBKOVMCQURMDC-UHFFFAOYSA-N 0 3 303.402 3.204 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c([O-])c1 ZINC001117749719 1095833529 /nfs/dbraw/zinc/83/35/29/1095833529.db2.gz AEIGXYVSJGKAAH-DOTOQJQBSA-N 0 3 321.461 3.085 20 10 DGCDHN CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138128358 1095898943 /nfs/dbraw/zinc/89/89/43/1095898943.db2.gz FLIANHQVQQHFHI-JKSUJKDBSA-N 0 3 306.425 3.370 20 10 DGCDHN CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138128358 1095898963 /nfs/dbraw/zinc/89/89/63/1095898963.db2.gz FLIANHQVQQHFHI-JKSUJKDBSA-N 0 3 306.425 3.370 20 10 DGCDHN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939379 1097017101 /nfs/dbraw/zinc/01/71/01/1097017101.db2.gz UXCUTQUIIQHCLC-MAUKXSAKSA-N 0 3 311.429 3.362 20 10 DGCDHN CCOc1ccc(N2CCN([C@H](C)CSCC)CC2)cc1 ZINC001173315635 1097427729 /nfs/dbraw/zinc/42/77/29/1097427729.db2.gz RLGGZMYKRDPAMX-OAHLLOKOSA-N 0 3 308.491 3.349 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C1 ZINC001173647833 1097490904 /nfs/dbraw/zinc/49/09/04/1097490904.db2.gz CCTDMENUCJMIAF-HUUCEWRRSA-N 0 3 305.418 3.221 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(Cc2ccco2)CC1 ZINC001231587913 1097785815 /nfs/dbraw/zinc/78/58/15/1097785815.db2.gz GIGCVLMVKQUUNU-UHFFFAOYSA-N 0 3 322.408 3.456 20 10 DGCDHN O=C1NCCCC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231589366 1097786093 /nfs/dbraw/zinc/78/60/93/1097786093.db2.gz DAOGATBGMUUGOT-UHFFFAOYSA-N 0 3 324.424 3.038 20 10 DGCDHN Cc1cccc(CN2CC3(CN(Cc4ccccc4)C3)C2)c1O ZINC001231594065 1097787094 /nfs/dbraw/zinc/78/70/94/1097787094.db2.gz SHOXDLRAEYDIJU-UHFFFAOYSA-N 0 3 308.425 3.018 20 10 DGCDHN Cc1cc(Br)ncc1CN(C)Cc1ccccc1O ZINC001232317348 1098002783 /nfs/dbraw/zinc/00/27/83/1098002783.db2.gz OPTIFYLVRHWTBG-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN COC(=O)c1c(CN2CC[C@@](C)(CF)C2)c2ccccc2n1C ZINC001232403149 1098030123 /nfs/dbraw/zinc/03/01/23/1098030123.db2.gz VHIFSPKXQGQXEG-SFHVURJKSA-N 0 3 318.392 3.146 20 10 DGCDHN COc1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1O)CC2 ZINC001232833502 1098148250 /nfs/dbraw/zinc/14/82/50/1098148250.db2.gz AFGTWQZKXYDSPY-UHFFFAOYSA-N 0 3 312.413 3.025 20 10 DGCDHN CN(C)c1ccc(CN2CCc3ccc(F)cc3C2)c(O)c1 ZINC001232840094 1098150181 /nfs/dbraw/zinc/15/01/81/1098150181.db2.gz MQSYMVQUPLFDLX-UHFFFAOYSA-N 0 3 300.377 3.156 20 10 DGCDHN Cc1cc(Nc2cc(Br)cc(F)c2[O-])cc(C)[nH+]1 ZINC001176059431 1098252739 /nfs/dbraw/zinc/25/27/39/1098252739.db2.gz FIRFAAWPVHYITO-UHFFFAOYSA-N 0 3 311.154 3.471 20 10 DGCDHN CCOC(=O)c1c(CN2C[C@H]3CC[C@@H]2C3)c2ccccc2n1C ZINC001233273124 1098269699 /nfs/dbraw/zinc/26/96/99/1098269699.db2.gz OYGCGEMTIHOXNT-UONOGXRCSA-N 0 3 312.413 3.339 20 10 DGCDHN CCOC(=O)c1c(CN2C3CCC2CC3)c2ccccc2n1C ZINC001233272672 1098270093 /nfs/dbraw/zinc/27/00/93/1098270093.db2.gz VPOBBANYZIQMDU-UHFFFAOYSA-N 0 3 312.413 3.482 20 10 DGCDHN CC[N@H+](Cc1cccc(OCOC)c1)Cc1ccccc1[O-] ZINC001233282447 1098274942 /nfs/dbraw/zinc/27/49/42/1098274942.db2.gz RCGOGPDGNFHJBZ-UHFFFAOYSA-N 0 3 301.386 3.397 20 10 DGCDHN CC[N@@H+](Cc1cccc(OCOC)c1)Cc1ccccc1[O-] ZINC001233282447 1098274949 /nfs/dbraw/zinc/27/49/49/1098274949.db2.gz RCGOGPDGNFHJBZ-UHFFFAOYSA-N 0 3 301.386 3.397 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1[O-] ZINC001233289762 1098277369 /nfs/dbraw/zinc/27/73/69/1098277369.db2.gz MXOXZQQDNYPZFU-ZDUSSCGKSA-N 0 3 318.804 3.439 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1[O-] ZINC001233289762 1098277373 /nfs/dbraw/zinc/27/73/73/1098277373.db2.gz MXOXZQQDNYPZFU-ZDUSSCGKSA-N 0 3 318.804 3.439 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c1[O-] ZINC001233287830 1098278125 /nfs/dbraw/zinc/27/81/25/1098278125.db2.gz JCQDULHTRRYGST-MEDUHNTESA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)c1[O-] ZINC001233287830 1098278130 /nfs/dbraw/zinc/27/81/30/1098278130.db2.gz JCQDULHTRRYGST-MEDUHNTESA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cccc([C@H]2CCCN2Cc2cc(O)c(O)cc2O)c1 ZINC001233486702 1098347459 /nfs/dbraw/zinc/34/74/59/1098347459.db2.gz YKTRDQRTRUNDBS-OAHLLOKOSA-N 0 3 315.369 3.149 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](C)[C@@H]3CO)c2c1 ZINC001234525475 1098581324 /nfs/dbraw/zinc/58/13/24/1098581324.db2.gz ICYFKIHJWDPPNS-UGSOOPFHSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](C)[C@@H]3CO)c2c1 ZINC001234525475 1098581334 /nfs/dbraw/zinc/58/13/34/1098581334.db2.gz ICYFKIHJWDPPNS-UGSOOPFHSA-N 0 3 315.413 3.147 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H]3CCCC[C@@H]3OC)cc2)CC1 ZINC001234660097 1098636783 /nfs/dbraw/zinc/63/67/83/1098636783.db2.gz DGIKJGHOBYOTSM-OALUTQOASA-N 0 3 318.461 3.165 20 10 DGCDHN [O-]c1ccc(F)c(Cl)c1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235036793 1098767125 /nfs/dbraw/zinc/76/71/25/1098767125.db2.gz BQVGUBZVEXUJOU-INIZCTEOSA-N 0 3 312.816 3.293 20 10 DGCDHN COc1cc([O-])c(CN2CCCC[C@@]23CCC[NH2+]C3)cc1Cl ZINC001235177330 1098858645 /nfs/dbraw/zinc/85/86/45/1098858645.db2.gz IFQSVYFUQZBMFO-KRWDZBQOSA-N 0 3 324.852 3.162 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c([O-])c1 ZINC001235676761 1099119532 /nfs/dbraw/zinc/11/95/32/1099119532.db2.gz UBAHIIJMZPVMAQ-SFHVURJKSA-N 0 3 309.425 3.376 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](F)(CO)CC2)c([O-])c1 ZINC001235676761 1099119540 /nfs/dbraw/zinc/11/95/40/1099119540.db2.gz UBAHIIJMZPVMAQ-SFHVURJKSA-N 0 3 309.425 3.376 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235678451 1099121805 /nfs/dbraw/zinc/12/18/05/1099121805.db2.gz BPXSAVZGAYYJMZ-AWEZNQCLSA-N 0 3 319.445 3.465 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235678451 1099121812 /nfs/dbraw/zinc/12/18/12/1099121812.db2.gz BPXSAVZGAYYJMZ-AWEZNQCLSA-N 0 3 319.445 3.465 20 10 DGCDHN COC(=O)CC[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C1CC1 ZINC001235681851 1099123614 /nfs/dbraw/zinc/12/36/14/1099123614.db2.gz RGWSAMFUJPDTBD-UHFFFAOYSA-N 0 3 305.418 3.217 20 10 DGCDHN COC(=O)CC[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C1CC1 ZINC001235681851 1099123623 /nfs/dbraw/zinc/12/36/23/1099123623.db2.gz RGWSAMFUJPDTBD-UHFFFAOYSA-N 0 3 305.418 3.217 20 10 DGCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235685628 1099126852 /nfs/dbraw/zinc/12/68/52/1099126852.db2.gz UAIQITYJVJISRL-CQSZACIVSA-N 0 3 305.418 3.075 20 10 DGCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235685628 1099126855 /nfs/dbraw/zinc/12/68/55/1099126855.db2.gz UAIQITYJVJISRL-CQSZACIVSA-N 0 3 305.418 3.075 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001235734089 1099153869 /nfs/dbraw/zinc/15/38/69/1099153869.db2.gz AZNXWLHLIGGXHY-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN COc1cc(C)c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c([O-])c1 ZINC001180249067 1099357313 /nfs/dbraw/zinc/35/73/13/1099357313.db2.gz BRJDZPCWGTYLNK-HNNXBMFYSA-N 0 3 315.413 3.092 20 10 DGCDHN COc1cc(C)c(C[N@H+](Cc2ccccc2)C[C@H](C)O)c([O-])c1 ZINC001180249067 1099357327 /nfs/dbraw/zinc/35/73/27/1099357327.db2.gz BRJDZPCWGTYLNK-HNNXBMFYSA-N 0 3 315.413 3.092 20 10 DGCDHN CCCC[C@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])CC[NH2+]1 ZINC001236135754 1099423827 /nfs/dbraw/zinc/42/38/27/1099423827.db2.gz BFODUQHCORIWCF-ZDUSSCGKSA-N 0 3 312.841 3.018 20 10 DGCDHN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@H]1CCCC[C@H]1N ZINC001236214081 1099470186 /nfs/dbraw/zinc/47/01/86/1099470186.db2.gz DXIFZAYVWGMKOW-OLZOCXBDSA-N 0 3 302.340 3.113 20 10 DGCDHN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@H]1CCCC[C@H]1N ZINC001236214081 1099470191 /nfs/dbraw/zinc/47/01/91/1099470191.db2.gz DXIFZAYVWGMKOW-OLZOCXBDSA-N 0 3 302.340 3.113 20 10 DGCDHN CC(C)c1ccc(O)c(CN2CCC(O)(C(F)(F)F)CC2)c1 ZINC001180741325 1099497882 /nfs/dbraw/zinc/49/78/82/1099497882.db2.gz RPKHGACUKAIEHP-UHFFFAOYSA-N 0 3 317.351 3.405 20 10 DGCDHN CC[C@@H](C)[N@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236744677 1099767425 /nfs/dbraw/zinc/76/74/25/1099767425.db2.gz AUOBGBOPXBTNMA-SECBINFHSA-N 0 3 302.212 3.394 20 10 DGCDHN CC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236744677 1099767433 /nfs/dbraw/zinc/76/74/33/1099767433.db2.gz AUOBGBOPXBTNMA-SECBINFHSA-N 0 3 302.212 3.394 20 10 DGCDHN COc1cc(CN2C[C@H]3CC[C@@H]2C3)c(O)cc1Br ZINC001236756071 1099772033 /nfs/dbraw/zinc/77/20/33/1099772033.db2.gz IFUQKDPEFBSLAF-GXSJLCMTSA-N 0 3 312.207 3.148 20 10 DGCDHN CCCN(Cc1c([O-])ccc(F)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843844 1099828925 /nfs/dbraw/zinc/82/89/25/1099828925.db2.gz RNOMBZBXLQAQIS-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN CCCN(Cc1c([O-])ccc(F)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843845 1099830100 /nfs/dbraw/zinc/83/01/00/1099830100.db2.gz RNOMBZBXLQAQIS-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(OCC)cc1[O-])C2 ZINC001237040134 1099938810 /nfs/dbraw/zinc/93/88/10/1099938810.db2.gz FIZMPBKKHHULKG-APWZRJJASA-N 0 3 319.445 3.430 20 10 DGCDHN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OCC)cc1[O-])C2 ZINC001237040134 1099938817 /nfs/dbraw/zinc/93/88/17/1099938817.db2.gz FIZMPBKKHHULKG-APWZRJJASA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc(C[N@H+](CCC(=O)OC)C2CCCC2)c([O-])c1 ZINC001237041089 1099938905 /nfs/dbraw/zinc/93/89/05/1099938905.db2.gz DBNULJLTVPETOK-UHFFFAOYSA-N 0 3 321.417 3.099 20 10 DGCDHN CCOc1ccc(C[N@@H+](CCC(=O)OC)C2CCCC2)c([O-])c1 ZINC001237041089 1099938914 /nfs/dbraw/zinc/93/89/14/1099938914.db2.gz DBNULJLTVPETOK-UHFFFAOYSA-N 0 3 321.417 3.099 20 10 DGCDHN COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237055895 1099947666 /nfs/dbraw/zinc/94/76/66/1099947666.db2.gz RZFDDCCNCPAEHW-AWEZNQCLSA-N 0 3 305.418 3.291 20 10 DGCDHN COC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237055895 1099947674 /nfs/dbraw/zinc/94/76/74/1099947674.db2.gz RZFDDCCNCPAEHW-AWEZNQCLSA-N 0 3 305.418 3.291 20 10 DGCDHN COCC1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237119360 1099979457 /nfs/dbraw/zinc/97/94/57/1099979457.db2.gz FXPHYSLMOWMVKA-UHFFFAOYSA-N 0 3 319.323 3.149 20 10 DGCDHN C[N@H+](CCc1ccncc1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237139794 1099988638 /nfs/dbraw/zinc/98/86/38/1099988638.db2.gz OUIHJMWWBZVOOL-UHFFFAOYSA-N 0 3 310.319 3.481 20 10 DGCDHN C[N@@H+](CCc1ccncc1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237139794 1099988648 /nfs/dbraw/zinc/98/86/48/1099988648.db2.gz OUIHJMWWBZVOOL-UHFFFAOYSA-N 0 3 310.319 3.481 20 10 DGCDHN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237484302 1100138856 /nfs/dbraw/zinc/13/88/56/1100138856.db2.gz BCDIVEORNYEBTQ-GOSISDBHSA-N 0 3 305.418 3.256 20 10 DGCDHN CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237484302 1100138860 /nfs/dbraw/zinc/13/88/60/1100138860.db2.gz BCDIVEORNYEBTQ-GOSISDBHSA-N 0 3 305.418 3.256 20 10 DGCDHN CCOC(=O)Cc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC001237486403 1100139846 /nfs/dbraw/zinc/13/98/46/1100139846.db2.gz VINZLSIGZYXMNN-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN CCOC(=O)Cc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC001237486403 1100139852 /nfs/dbraw/zinc/13/98/52/1100139852.db2.gz VINZLSIGZYXMNN-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN Cc1cccc(O)c1CN(C)Cc1cncc(Br)c1 ZINC001237486545 1100139867 /nfs/dbraw/zinc/13/98/67/1100139867.db2.gz SJDJOWKKOFOBIS-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN Cc1cccc(O)c1CN1CCN(Cc2cccc(F)c2)CC1 ZINC001237490436 1100141670 /nfs/dbraw/zinc/14/16/70/1100141670.db2.gz UVJQVBWFAWFUPP-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001237494733 1100145621 /nfs/dbraw/zinc/14/56/21/1100145621.db2.gz LDEDJFUIQYIQMX-INIZCTEOSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001237494733 1100145625 /nfs/dbraw/zinc/14/56/25/1100145625.db2.gz LDEDJFUIQYIQMX-INIZCTEOSA-N 0 3 301.361 3.493 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC001237641739 1100199930 /nfs/dbraw/zinc/19/99/30/1100199930.db2.gz WPXSMINFZGXKIR-CQSZACIVSA-N 0 3 315.388 3.403 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC001237641739 1100199935 /nfs/dbraw/zinc/19/99/35/1100199935.db2.gz WPXSMINFZGXKIR-CQSZACIVSA-N 0 3 315.388 3.403 20 10 DGCDHN Cc1cc(O)c(CN(C)Cc2cccnc2)cc1Br ZINC001237676529 1100211683 /nfs/dbraw/zinc/21/16/83/1100211683.db2.gz KITMUBQDCGMNTA-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(CF)CC2)c1[O-] ZINC001237681267 1100211967 /nfs/dbraw/zinc/21/19/67/1100211967.db2.gz MEIZYYHGZHFWSG-OAHLLOKOSA-N 0 3 301.789 3.041 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@](O)(CF)CC2)c1[O-] ZINC001237681267 1100211975 /nfs/dbraw/zinc/21/19/75/1100211975.db2.gz MEIZYYHGZHFWSG-OAHLLOKOSA-N 0 3 301.789 3.041 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237688083 1100215317 /nfs/dbraw/zinc/21/53/17/1100215317.db2.gz DVBAQWAGJSCWPQ-GFCCVEGCSA-N 0 3 311.809 3.129 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237688083 1100215319 /nfs/dbraw/zinc/21/53/19/1100215319.db2.gz DVBAQWAGJSCWPQ-GFCCVEGCSA-N 0 3 311.809 3.129 20 10 DGCDHN Cc1cc(Cl)cc(CN2CC[C@@]3(C2)CC(F)(F)CO3)c1O ZINC001237686202 1100215332 /nfs/dbraw/zinc/21/53/32/1100215332.db2.gz ISBAYTGKEOAHJJ-AWEZNQCLSA-N 0 3 317.763 3.354 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1[O-] ZINC001237686202 1100215334 /nfs/dbraw/zinc/21/53/34/1100215334.db2.gz ISBAYTGKEOAHJJ-AWEZNQCLSA-N 0 3 317.763 3.354 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1[O-] ZINC001237686202 1100215337 /nfs/dbraw/zinc/21/53/37/1100215337.db2.gz ISBAYTGKEOAHJJ-AWEZNQCLSA-N 0 3 317.763 3.354 20 10 DGCDHN COc1ccc(CN(C)Cc2cc(F)cc(C)c2O)cc1OC ZINC001238061823 1100345851 /nfs/dbraw/zinc/34/58/51/1100345851.db2.gz JCDVRBDHZRUYOE-UHFFFAOYSA-N 0 3 319.376 3.489 20 10 DGCDHN COc1ccc(C2CCN(Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203879698 1101580765 /nfs/dbraw/zinc/58/07/65/1101580765.db2.gz YITGECCREYHWNC-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN Cc1cc(C2=CC[C@@H](N3CCOCC3)CC2)ccc1N(C)C ZINC001245428833 1104049596 /nfs/dbraw/zinc/04/95/96/1104049596.db2.gz RPTFHKQCVFFTIX-GOSISDBHSA-N 0 3 300.446 3.329 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCCC[C@](C)(O)C3)ccc2O1 ZINC001249224213 1105249578 /nfs/dbraw/zinc/24/95/78/1105249578.db2.gz VCYNTVBTARTJCP-IBGZPJMESA-N 0 3 317.429 3.313 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCCC[C@](C)(O)C3)ccc2O1 ZINC001249224213 1105249582 /nfs/dbraw/zinc/24/95/82/1105249582.db2.gz VCYNTVBTARTJCP-IBGZPJMESA-N 0 3 317.429 3.313 20 10 DGCDHN CCC1(O)CC[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249252111 1105256886 /nfs/dbraw/zinc/25/68/86/1105256886.db2.gz GKSIZPBQHDHVGS-UHFFFAOYSA-N 0 3 317.429 3.313 20 10 DGCDHN C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@H]12 ZINC001249252790 1105257604 /nfs/dbraw/zinc/25/76/04/1105257604.db2.gz VALCWGLNEHFFJW-SRCQZFHVSA-N 0 3 315.413 3.043 20 10 DGCDHN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@H]12 ZINC001249252790 1105257608 /nfs/dbraw/zinc/25/76/08/1105257608.db2.gz VALCWGLNEHFFJW-SRCQZFHVSA-N 0 3 315.413 3.043 20 10 DGCDHN Cc1cc(F)cc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1 ZINC001249339993 1105271231 /nfs/dbraw/zinc/27/12/31/1105271231.db2.gz QPXUOQDPYIZSBD-CQSZACIVSA-N 0 3 313.332 3.132 20 10 DGCDHN Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)cc1F ZINC001249340314 1105271731 /nfs/dbraw/zinc/27/17/31/1105271731.db2.gz YSDMKTDLTZUHFR-CQSZACIVSA-N 0 3 313.332 3.132 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@H+](C)CC(C)C)c([O-])c1 ZINC001249723523 1105365613 /nfs/dbraw/zinc/36/56/13/1105365613.db2.gz BESOOJZNGFNQJT-UHFFFAOYSA-N 0 3 323.433 3.202 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@@H+](C)CC(C)C)c([O-])c1 ZINC001249723523 1105365616 /nfs/dbraw/zinc/36/56/16/1105365616.db2.gz BESOOJZNGFNQJT-UHFFFAOYSA-N 0 3 323.433 3.202 20 10 DGCDHN COC[C@H]1CCC[N@@H+]1Cc1cc(C)c(Br)cc1[O-] ZINC001250120974 1105446294 /nfs/dbraw/zinc/44/62/94/1105446294.db2.gz WYOXNCRRCFAVFU-GFCCVEGCSA-N 0 3 314.223 3.074 20 10 DGCDHN COC[C@H]1CCC[N@H+]1Cc1cc(C)c(Br)cc1[O-] ZINC001250120974 1105446296 /nfs/dbraw/zinc/44/62/96/1105446296.db2.gz WYOXNCRRCFAVFU-GFCCVEGCSA-N 0 3 314.223 3.074 20 10 DGCDHN COc1cccc([C@@H](O)C[NH2+]Cc2cc3ccccc3cc2[O-])c1 ZINC001250735434 1105571628 /nfs/dbraw/zinc/57/16/28/1105571628.db2.gz WEEFDXRTLZQSGT-FQEVSTJZSA-N 0 3 323.392 3.377 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253358717 1105927332 /nfs/dbraw/zinc/92/73/32/1105927332.db2.gz RPDJRLJEWLCMRO-QGZVFWFLSA-N 0 3 307.340 3.226 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253358717 1105927337 /nfs/dbraw/zinc/92/73/37/1105927337.db2.gz RPDJRLJEWLCMRO-QGZVFWFLSA-N 0 3 307.340 3.226 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607681 1106112384 /nfs/dbraw/zinc/11/23/84/1106112384.db2.gz LZQYFEFSVBDUJA-KRWDZBQOSA-N 0 3 312.369 3.290 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607681 1106112387 /nfs/dbraw/zinc/11/23/87/1106112387.db2.gz LZQYFEFSVBDUJA-KRWDZBQOSA-N 0 3 312.369 3.290 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC(O)(C(C)C)CC2)c1O ZINC001474749642 1107122053 /nfs/dbraw/zinc/12/20/53/1107122053.db2.gz QEIARXVICTVRBN-UHFFFAOYSA-N 0 3 313.825 3.037 20 10 DGCDHN CO[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC001324541368 1108333608 /nfs/dbraw/zinc/33/36/08/1108333608.db2.gz JYLQWXBMHXNUKM-RDJZCZTQSA-N 0 3 301.361 3.496 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c([O-])c1 ZINC001308758418 1111470743 /nfs/dbraw/zinc/47/07/43/1111470743.db2.gz SGYYLSANQTUSGM-LSDHHAIUSA-N 0 3 307.434 3.225 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c([O-])c1 ZINC001308758418 1111470744 /nfs/dbraw/zinc/47/07/44/1111470744.db2.gz SGYYLSANQTUSGM-LSDHHAIUSA-N 0 3 307.434 3.225 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(OC)cc1 ZINC000063255970 432004714 /nfs/dbraw/zinc/00/47/14/432004714.db2.gz ONZCPBCJCCTCNF-OAHLLOKOSA-N 0 3 315.369 3.370 20 10 DGCDHN CC[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000166606634 432061712 /nfs/dbraw/zinc/06/17/12/432061712.db2.gz DCUIXZLUPVLNKX-UFYCRDLUSA-N 0 3 310.441 3.452 20 10 DGCDHN O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-])c1ccccc1 ZINC000179566993 432062540 /nfs/dbraw/zinc/06/25/40/432062540.db2.gz OYVTXRWWLFONOU-GOSISDBHSA-N 0 3 324.424 3.177 20 10 DGCDHN O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-])c1ccccc1 ZINC000179566993 432062541 /nfs/dbraw/zinc/06/25/41/432062541.db2.gz OYVTXRWWLFONOU-GOSISDBHSA-N 0 3 324.424 3.177 20 10 DGCDHN COCCCOc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000091974730 193134946 /nfs/dbraw/zinc/13/49/46/193134946.db2.gz AFOCWNQHTBXCOR-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN COCCCOc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000091974730 193134948 /nfs/dbraw/zinc/13/49/48/193134948.db2.gz AFOCWNQHTBXCOR-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN CC[C@H](NCc1ccc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000268783644 432133327 /nfs/dbraw/zinc/13/33/27/432133327.db2.gz UZZFSJWDYUHXLN-SFHVURJKSA-N 0 3 312.461 3.455 20 10 DGCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc([S@](C)=O)cc1 ZINC000268897388 432146249 /nfs/dbraw/zinc/14/62/49/432146249.db2.gz ZDTQKOQIELWCMB-XMHCIUCPSA-N 0 3 315.438 3.210 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)c1 ZINC000272378530 130023910 /nfs/dbraw/zinc/02/39/10/130023910.db2.gz DGEGLXYOKCUWKB-KPZWWZAWSA-N 0 3 319.376 3.406 20 10 DGCDHN COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)c1 ZINC000272831027 130067924 /nfs/dbraw/zinc/06/79/24/130067924.db2.gz HXJTUFCFCCSTLC-GJZGRUSLSA-N 0 3 312.413 3.330 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1[O-] ZINC000273391149 130116167 /nfs/dbraw/zinc/11/61/67/130116167.db2.gz KSHUKPZTAWYEMM-LBPRGKRZSA-N 0 3 316.376 3.084 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c([O-])c1C ZINC000273419043 130119700 /nfs/dbraw/zinc/11/97/00/130119700.db2.gz RQIWRMZOEBWWLV-AWEZNQCLSA-N 0 3 305.418 3.345 20 10 DGCDHN C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1[O-] ZINC000273449206 130124396 /nfs/dbraw/zinc/12/43/96/130124396.db2.gz FPOYUTGLGAZJPB-LLVKDONJSA-N 0 3 304.321 3.333 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000273742793 130160394 /nfs/dbraw/zinc/16/03/94/130160394.db2.gz LZNNNLBFGIQPKJ-ZIAGYGMSSA-N 0 3 313.825 3.347 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000273805647 130170786 /nfs/dbraw/zinc/17/07/86/130170786.db2.gz XZCCLGGWDWOPBJ-UHFFFAOYSA-N 0 3 315.388 3.451 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])[C@@]12CCCO2 ZINC000274274091 130223370 /nfs/dbraw/zinc/22/33/70/130223370.db2.gz XDURTXNIISQXKK-RNJTYBCJSA-N 0 3 305.418 3.078 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000274820818 130264853 /nfs/dbraw/zinc/26/48/53/130264853.db2.gz BPDHMGWGJHJJIB-ROUUACIJSA-N 0 3 324.424 3.234 20 10 DGCDHN CCC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000279635316 130755197 /nfs/dbraw/zinc/75/51/97/130755197.db2.gz IPONGNXJFLOLFD-MJGOQNOKSA-N 0 3 315.413 3.393 20 10 DGCDHN C[S@](=O)C1(CNCc2ccc(N3CCCCC3)cc2)CCC1 ZINC000280535708 130805720 /nfs/dbraw/zinc/80/57/20/130805720.db2.gz CLAHYPHERYEUNE-QFIPXVFZSA-N 0 3 320.502 3.068 20 10 DGCDHN COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000284241356 131062646 /nfs/dbraw/zinc/06/26/46/131062646.db2.gz FCOVWOLSLLVQHB-KSSFIOAISA-N 0 3 314.429 3.354 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cc1cccc(Cl)c1 ZINC000287750728 131298728 /nfs/dbraw/zinc/29/87/28/131298728.db2.gz LRDAEMVLKRKVPV-MRXNPFEDSA-N 0 3 305.805 3.081 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)Cc1cccc(Cl)c1 ZINC000287750728 131298730 /nfs/dbraw/zinc/29/87/30/131298730.db2.gz LRDAEMVLKRKVPV-MRXNPFEDSA-N 0 3 305.805 3.081 20 10 DGCDHN CCC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000289244852 131368727 /nfs/dbraw/zinc/36/87/27/131368727.db2.gz AXSVJKSTERDWSP-KRWDZBQOSA-N 0 3 305.418 3.133 20 10 DGCDHN CCC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000289244852 131368728 /nfs/dbraw/zinc/36/87/28/131368728.db2.gz AXSVJKSTERDWSP-KRWDZBQOSA-N 0 3 305.418 3.133 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCN(c3ccccc3F)C1)CC2 ZINC000297388446 132013288 /nfs/dbraw/zinc/01/32/88/132013288.db2.gz RPBTXZFQGYAODD-ZBFHGGJFSA-N 0 3 312.388 3.387 20 10 DGCDHN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1[O-] ZINC000093688068 400253348 /nfs/dbraw/zinc/25/33/48/400253348.db2.gz VJVSVBYJBZFRSR-QGZVFWFLSA-N 0 3 315.413 3.174 20 10 DGCDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1[O-] ZINC000093688068 400253352 /nfs/dbraw/zinc/25/33/52/400253352.db2.gz VJVSVBYJBZFRSR-QGZVFWFLSA-N 0 3 315.413 3.174 20 10 DGCDHN COc1cccc(CNCc2ccc(OC(F)F)cc2)c1O ZINC000074336188 400506894 /nfs/dbraw/zinc/50/68/94/400506894.db2.gz YSAPUYLXMZIASJ-UHFFFAOYSA-N 0 3 309.312 3.292 20 10 DGCDHN C[C@H]1CN(c2ccc(CNCc3cc[nH]c3)cc2F)C[C@H](C)O1 ZINC000086251275 401176824 /nfs/dbraw/zinc/17/68/24/401176824.db2.gz XCNGSGVAIVFWEP-KBPBESRZSA-N 0 3 317.408 3.057 20 10 DGCDHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000134621711 287055033 /nfs/dbraw/zinc/05/50/33/287055033.db2.gz ZCVNWMSCMKPDMI-HLLBOEOZSA-N 0 3 318.436 3.404 20 10 DGCDHN CCOCCO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000138425397 432182244 /nfs/dbraw/zinc/18/22/44/432182244.db2.gz DDRVXBUSKHYYTD-INIZCTEOSA-N 0 3 315.413 3.173 20 10 DGCDHN CCOCCO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000138425397 432182247 /nfs/dbraw/zinc/18/22/47/432182247.db2.gz DDRVXBUSKHYYTD-INIZCTEOSA-N 0 3 315.413 3.173 20 10 DGCDHN C[C@H]([NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000183613125 228375249 /nfs/dbraw/zinc/37/52/49/228375249.db2.gz YAPIDBDMKVXHEM-ZQIUZPCESA-N 0 3 310.397 3.237 20 10 DGCDHN CC(C)C[NH+]1CCC(N[C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191196928 432233959 /nfs/dbraw/zinc/23/39/59/432233959.db2.gz BSACKPCYWVSUJJ-GFCCVEGCSA-N 0 3 312.404 3.441 20 10 DGCDHN CN(C)c1ccc(CNCC2=CCCOC2)c(C(F)(F)F)c1 ZINC000288547728 273821321 /nfs/dbraw/zinc/82/13/21/273821321.db2.gz XKLXOCKOZYMEFB-UHFFFAOYSA-N 0 3 314.351 3.208 20 10 DGCDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2cccc(O)c21 ZINC000297938504 274118848 /nfs/dbraw/zinc/11/88/48/274118848.db2.gz XZUWSSUAZUYJKH-CQSZACIVSA-N 0 3 314.341 3.086 20 10 DGCDHN COc1cccc(CN[C@@H](c2cccs2)C(C)(C)CO)c1O ZINC000296060691 278012722 /nfs/dbraw/zinc/01/27/22/278012722.db2.gz QLCKVWHPECZTEW-INIZCTEOSA-N 0 3 321.442 3.312 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1[O-] ZINC000296060691 278012723 /nfs/dbraw/zinc/01/27/23/278012723.db2.gz QLCKVWHPECZTEW-INIZCTEOSA-N 0 3 321.442 3.312 20 10 DGCDHN CN(C)c1ccc(CNC[C@](C)(O)c2ccc(F)cc2F)cc1 ZINC000114509714 431394045 /nfs/dbraw/zinc/39/40/45/431394045.db2.gz IDMHIQZZOTYEPP-SFHVURJKSA-N 0 3 320.383 3.028 20 10 DGCDHN CC(C)[C@H](C[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000115629682 431466006 /nfs/dbraw/zinc/46/60/06/431466006.db2.gz NIXWSKYVPSZLNB-AWEZNQCLSA-N 0 3 308.422 3.031 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(NC(N)=O)cc1 ZINC000079001167 431712557 /nfs/dbraw/zinc/71/25/57/431712557.db2.gz INHJPUHZPRWLEJ-ZDUSSCGKSA-N 0 3 312.417 3.094 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1ccccc1[O-] ZINC000183316468 432282363 /nfs/dbraw/zinc/28/23/63/432282363.db2.gz IHPWEAXZIGVBPR-MAUKXSAKSA-N 0 3 315.413 3.181 20 10 DGCDHN COc1c(C)cnc(CN(C)Cc2cccc(C)c2O)c1C ZINC000183783328 432325577 /nfs/dbraw/zinc/32/55/77/432325577.db2.gz GKIMHEIEDRVKFO-UHFFFAOYSA-N 0 3 300.402 3.353 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c([O-])c1 ZINC000271177423 432346724 /nfs/dbraw/zinc/34/67/24/432346724.db2.gz BMLFVYKTMBQNTK-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC3(C2)CCOCC3)c([O-])c1 ZINC000271177423 432346728 /nfs/dbraw/zinc/34/67/28/432346728.db2.gz BMLFVYKTMBQNTK-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000271455820 432398765 /nfs/dbraw/zinc/39/87/65/432398765.db2.gz FKGWJOCHQOTHMD-MAUKXSAKSA-N 0 3 307.434 3.474 20 10 DGCDHN CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000271303169 432370748 /nfs/dbraw/zinc/37/07/48/432370748.db2.gz SYGIEIORCNCZIM-UHFFFAOYSA-N 0 3 320.433 3.129 20 10 DGCDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cc(OC)c1OC ZINC000192936429 432430939 /nfs/dbraw/zinc/43/09/39/432430939.db2.gz ZEWJPXGERDJLBZ-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000192940813 432432538 /nfs/dbraw/zinc/43/25/38/432432538.db2.gz FSJUNPIHUIHQTM-WFASDCNBSA-N 0 3 320.458 3.416 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000192940834 432432957 /nfs/dbraw/zinc/43/29/57/432432957.db2.gz FSJUNPIHUIHQTM-SWLSCSKDSA-N 0 3 320.458 3.416 20 10 DGCDHN C[C@H](c1ccccc1)[N@H+](CCn1cncn1)Cc1ccccc1[O-] ZINC000272096206 432443240 /nfs/dbraw/zinc/44/32/40/432443240.db2.gz YYHDQRVEFYNJFL-MRXNPFEDSA-N 0 3 322.412 3.247 20 10 DGCDHN C[C@H](c1ccccc1)[N@@H+](CCn1cncn1)Cc1ccccc1[O-] ZINC000272096206 432443243 /nfs/dbraw/zinc/44/32/43/432443243.db2.gz YYHDQRVEFYNJFL-MRXNPFEDSA-N 0 3 322.412 3.247 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1 ZINC000184963777 432451577 /nfs/dbraw/zinc/45/15/77/432451577.db2.gz REOURBNRBCTVHV-QGZVFWFLSA-N 0 3 321.804 3.052 20 10 DGCDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1[N+](=O)[O-] ZINC000271639934 432422203 /nfs/dbraw/zinc/42/22/03/432422203.db2.gz GTOFQBHOGQBTNR-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)CCC2CCOCC2)c1[O-] ZINC000184697627 432422370 /nfs/dbraw/zinc/42/23/70/432422370.db2.gz GHAOQQRNFBVOCC-UHFFFAOYSA-N 0 3 313.825 3.303 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCC2CCOCC2)c1[O-] ZINC000184697627 432422375 /nfs/dbraw/zinc/42/23/75/432422375.db2.gz GHAOQQRNFBVOCC-UHFFFAOYSA-N 0 3 313.825 3.303 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000271794038 432423567 /nfs/dbraw/zinc/42/35/67/432423567.db2.gz HLUOXRMNHCCOHL-GXFFZTMASA-N 0 3 314.223 3.120 20 10 DGCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000271762243 432423857 /nfs/dbraw/zinc/42/38/57/432423857.db2.gz FBGZHDQLBDKXAC-CVEARBPZSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000271762243 432423861 /nfs/dbraw/zinc/42/38/61/432423861.db2.gz FBGZHDQLBDKXAC-CVEARBPZSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000185291141 432487882 /nfs/dbraw/zinc/48/78/82/432487882.db2.gz WQEDZWUUXABZNS-GFCCVEGCSA-N 0 3 316.367 3.378 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c1 ZINC000185351720 432494808 /nfs/dbraw/zinc/49/48/08/432494808.db2.gz KWUXTIZIGNFHSQ-QWHCGFSZSA-N 0 3 301.386 3.388 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000185442730 432500462 /nfs/dbraw/zinc/50/04/62/432500462.db2.gz SYNYKVOKXCHIJW-WCQYABFASA-N 0 3 324.396 3.191 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1 ZINC000185518759 432506861 /nfs/dbraw/zinc/50/68/61/432506861.db2.gz TXMHIYXEHQYBGQ-BDJLRTHQSA-N 0 3 307.415 3.021 20 10 DGCDHN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185511667 432506876 /nfs/dbraw/zinc/50/68/76/432506876.db2.gz UCYNBXSPWZZTNT-XWCIJXRUSA-N 0 3 309.475 3.034 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1 ZINC000185518744 432506950 /nfs/dbraw/zinc/50/69/50/432506950.db2.gz TXMHIYXEHQYBGQ-MEDUHNTESA-N 0 3 307.415 3.021 20 10 DGCDHN Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000193911077 432508398 /nfs/dbraw/zinc/50/83/98/432508398.db2.gz MUDJCLHDJDJUAV-HNNXBMFYSA-N 0 3 312.413 3.090 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000185104742 432466608 /nfs/dbraw/zinc/46/66/08/432466608.db2.gz GFNKZELDRVMMAG-AWEZNQCLSA-N 0 3 316.470 3.471 20 10 DGCDHN CCCOc1ncccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000185143207 432470534 /nfs/dbraw/zinc/47/05/34/432470534.db2.gz NOBMFHMDUALVAO-ZDUSSCGKSA-N 0 3 316.401 3.435 20 10 DGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000186068142 432556422 /nfs/dbraw/zinc/55/64/22/432556422.db2.gz GHFIILFFWYABGT-AWEZNQCLSA-N 0 3 316.401 3.073 20 10 DGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186068458 432556886 /nfs/dbraw/zinc/55/68/86/432556886.db2.gz APYLNTNGXVAXLZ-AWEZNQCLSA-N 0 3 316.401 3.073 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185736346 432529309 /nfs/dbraw/zinc/52/93/09/432529309.db2.gz FKMUANFBUDVJFI-CPUCHLNUSA-N 0 3 303.446 3.473 20 10 DGCDHN COC[C@@H](CN[C@H](C)c1ccc(N2CCCCCC2)cc1)OC ZINC000272699695 432532384 /nfs/dbraw/zinc/53/23/84/432532384.db2.gz RTMVZLNDPAEKRP-VQIMIIECSA-N 0 3 320.477 3.379 20 10 DGCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000185812752 432534493 /nfs/dbraw/zinc/53/44/93/432534493.db2.gz KAACORXIBABBHC-WMLDXEAASA-N 0 3 310.397 3.157 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c1 ZINC000186230536 432571405 /nfs/dbraw/zinc/57/14/05/432571405.db2.gz XEXBUMUVUQKTHV-ZFWWWQNUSA-N 0 3 321.417 3.127 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186355017 432586434 /nfs/dbraw/zinc/58/64/34/432586434.db2.gz WZEHTVZGWQUYOY-ZUXXIDCJSA-N 0 3 317.429 3.399 20 10 DGCDHN CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187180846 432649678 /nfs/dbraw/zinc/64/96/78/432649678.db2.gz NNDWCVVRAGHYHP-HZMBPMFUSA-N 0 3 316.239 3.275 20 10 DGCDHN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000227690834 432713022 /nfs/dbraw/zinc/71/30/22/432713022.db2.gz HVUCFUWKVILIKU-MNOVXSKESA-N 0 3 312.385 3.095 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)cc1C ZINC000237267324 432784062 /nfs/dbraw/zinc/78/40/62/432784062.db2.gz RSPQEENNSZOAMZ-ZDUSSCGKSA-N 0 3 313.401 3.345 20 10 DGCDHN OCC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000288385485 432891460 /nfs/dbraw/zinc/89/14/60/432891460.db2.gz GLBFNDCBYYOQLZ-QGZVFWFLSA-N 0 3 317.816 3.488 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000278966514 432922495 /nfs/dbraw/zinc/92/24/95/432922495.db2.gz HDTFIDJAVOSIQQ-HNNXBMFYSA-N 0 3 309.768 3.316 20 10 DGCDHN Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1C ZINC000289699188 432971925 /nfs/dbraw/zinc/97/19/25/432971925.db2.gz ONQIFPFUUHOWGF-ZIAGYGMSSA-N 0 3 317.351 3.002 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1C ZINC000289699188 432971927 /nfs/dbraw/zinc/97/19/27/432971927.db2.gz ONQIFPFUUHOWGF-ZIAGYGMSSA-N 0 3 317.351 3.002 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1C ZINC000289699188 432971932 /nfs/dbraw/zinc/97/19/32/432971932.db2.gz ONQIFPFUUHOWGF-ZIAGYGMSSA-N 0 3 317.351 3.002 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000289853020 432977151 /nfs/dbraw/zinc/97/71/51/432977151.db2.gz PTTSDQHRWBJSNS-KRWDZBQOSA-N 0 3 303.427 3.340 20 10 DGCDHN CN(C)C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000297470462 432994940 /nfs/dbraw/zinc/99/49/40/432994940.db2.gz YPFINBHKLJVGAA-IAGOWNOFSA-N 0 3 314.404 3.411 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1([C@H](O)c3ccccc3)CC1)CC2 ZINC000297047292 432952186 /nfs/dbraw/zinc/95/21/86/432952186.db2.gz VLCRVGJOFBQBAZ-VQIMIIECSA-N 0 3 309.409 3.483 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2[O-])[C@@]12CCCO2 ZINC000280218771 433017070 /nfs/dbraw/zinc/01/70/70/433017070.db2.gz UNXYJVGNBBHVAU-KANFNMMFSA-N 0 3 319.445 3.468 20 10 DGCDHN CC[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000280239234 433020000 /nfs/dbraw/zinc/02/00/00/433020000.db2.gz VWUVIIJXFKJHEB-AWEZNQCLSA-N 0 3 308.422 3.266 20 10 DGCDHN CC[C@@H](c1ccncc1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000290536016 433084416 /nfs/dbraw/zinc/08/44/16/433084416.db2.gz QZMIPLYYEQYYDQ-AWEZNQCLSA-N 0 3 300.358 3.099 20 10 DGCDHN CCOc1cccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000290953004 433213298 /nfs/dbraw/zinc/21/32/98/433213298.db2.gz QULHPIITXSCJEE-WMZOPIPTSA-N 0 3 317.429 3.324 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c([O-])c1 ZINC000290993741 433216360 /nfs/dbraw/zinc/21/63/60/433216360.db2.gz VMEFAQHNXNHOFJ-INIZCTEOSA-N 0 3 315.417 3.133 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c([O-])c1 ZINC000290993741 433216368 /nfs/dbraw/zinc/21/63/68/433216368.db2.gz VMEFAQHNXNHOFJ-INIZCTEOSA-N 0 3 315.417 3.133 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000291653103 433301021 /nfs/dbraw/zinc/30/10/21/433301021.db2.gz URVDAUYQYGECAK-KRWDZBQOSA-N 0 3 319.426 3.040 20 10 DGCDHN Oc1ccccc1CNCc1ccncc1OCC(F)(F)F ZINC000282299691 433561675 /nfs/dbraw/zinc/56/16/75/433561675.db2.gz RSPXNQVLVMZVMH-UHFFFAOYSA-N 0 3 312.291 3.018 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292802122 433599293 /nfs/dbraw/zinc/59/92/93/433599293.db2.gz NRPGJYJAQPNBHQ-INIZCTEOSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292802122 433599304 /nfs/dbraw/zinc/59/93/04/433599304.db2.gz NRPGJYJAQPNBHQ-INIZCTEOSA-N 0 3 305.418 3.039 20 10 DGCDHN Cc1cccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000292864103 433600840 /nfs/dbraw/zinc/60/08/40/433600840.db2.gz VRBIKLFUXLPIEA-HNNXBMFYSA-N 0 3 300.377 3.208 20 10 DGCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])CN(C)C ZINC000293759971 433857141 /nfs/dbraw/zinc/85/71/41/433857141.db2.gz RZSGMAYRMHFULJ-QWRGUYRKSA-N 0 3 315.255 3.003 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CC(C)(C)O)c1[O-] ZINC000295067759 434176121 /nfs/dbraw/zinc/17/61/21/434176121.db2.gz OXVWKTDAGZMISB-SNVBAGLBSA-N 0 3 316.239 3.102 20 10 DGCDHN CCOc1cccc(CNCc2cnc(OC)c(Cl)c2)c1O ZINC000295130177 434218745 /nfs/dbraw/zinc/21/87/45/434218745.db2.gz YKBLRPLAEQKECR-UHFFFAOYSA-N 0 3 322.792 3.138 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000363859964 434167186 /nfs/dbraw/zinc/16/71/86/434167186.db2.gz SVYLAVFDNZMQOT-OUENDJJVSA-N 0 3 305.418 3.255 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000364068499 434223341 /nfs/dbraw/zinc/22/33/41/434223341.db2.gz SQHBRQOVTNJMOE-ZWKOTPCHSA-N 0 3 305.418 3.086 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1 ZINC000372862790 434859230 /nfs/dbraw/zinc/85/92/30/434859230.db2.gz JTZLSTKHFNCBPM-UHFFFAOYSA-N 0 3 307.397 3.391 20 10 DGCDHN Cc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000527536344 435012898 /nfs/dbraw/zinc/01/28/98/435012898.db2.gz WRQDCIRQHPJACG-SFHVURJKSA-N 0 3 312.413 3.277 20 10 DGCDHN CCN(C(=O)c1cccc2c1CCNC2)c1ccc(OC)cc1 ZINC000662470950 436351678 /nfs/dbraw/zinc/35/16/78/436351678.db2.gz ZCTIZTDTJZFQIM-UHFFFAOYSA-N 0 3 310.397 3.008 20 10 DGCDHN C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000185704975 333212476 /nfs/dbraw/zinc/21/24/76/333212476.db2.gz JEKUMYOJWRXXTJ-RHSMWYFYSA-N 0 3 319.445 3.117 20 10 DGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000021048344 333386881 /nfs/dbraw/zinc/38/68/81/333386881.db2.gz WYLYIYKSJUIFGF-AWEZNQCLSA-N 0 3 302.443 3.436 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000185125326 534203826 /nfs/dbraw/zinc/20/38/26/534203826.db2.gz JRDDYCQNEJDRQG-CQSZACIVSA-N 0 3 323.396 3.437 20 10 DGCDHN CCOCCOCCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000191570478 519994065 /nfs/dbraw/zinc/99/40/65/519994065.db2.gz GUAKTXGHCZCWSO-UHFFFAOYSA-N 0 3 320.477 3.162 20 10 DGCDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000189405260 520214198 /nfs/dbraw/zinc/21/41/98/520214198.db2.gz UNHKTURJVCAMSN-HOTGVXAUSA-N 0 3 317.477 3.194 20 10 DGCDHN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000189405307 520215388 /nfs/dbraw/zinc/21/53/88/520215388.db2.gz UNHKTURJVCAMSN-CVEARBPZSA-N 0 3 317.477 3.194 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@](CC)(CO)C2)c([O-])c1 ZINC000190212108 520349573 /nfs/dbraw/zinc/34/95/73/520349573.db2.gz GEDTXIXEMBVLGS-SFHVURJKSA-N 0 3 307.434 3.166 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC[C@](CC)(CO)C2)c([O-])c1 ZINC000190212108 520349579 /nfs/dbraw/zinc/34/95/79/520349579.db2.gz GEDTXIXEMBVLGS-SFHVURJKSA-N 0 3 307.434 3.166 20 10 DGCDHN CCOC(=O)[C@](C)(C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000191640067 521318705 /nfs/dbraw/zinc/31/87/05/521318705.db2.gz JKMZWWPIPHJMPF-LJQANCHMSA-N 0 3 313.397 3.003 20 10 DGCDHN CCOc1cccc(CN(CCO)Cc2ccc(C)cc2)c1O ZINC000180845739 521334083 /nfs/dbraw/zinc/33/40/83/521334083.db2.gz RPKQPHOSAKRQLA-UHFFFAOYSA-N 0 3 315.413 3.094 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCS[C@@H](C)CC2)c1[O-] ZINC000190694435 522538575 /nfs/dbraw/zinc/53/85/75/522538575.db2.gz OZERORJMUSUODX-JTQLQIEISA-N 0 3 301.839 3.382 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCS[C@@H](C)CC2)c1[O-] ZINC000190694435 522538582 /nfs/dbraw/zinc/53/85/82/522538582.db2.gz OZERORJMUSUODX-JTQLQIEISA-N 0 3 301.839 3.382 20 10 DGCDHN COC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000159183700 522915176 /nfs/dbraw/zinc/91/51/76/522915176.db2.gz RNYRQKRQDXUTBB-UHFFFAOYSA-N 0 3 316.445 3.062 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]CCCN(C)Cc2ccccc2)c1 ZINC000237204110 524750609 /nfs/dbraw/zinc/75/06/09/524750609.db2.gz LAEBECAYDJZUHC-UHFFFAOYSA-N 0 3 314.429 3.013 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)c1cccc(F)c1 ZINC000267180341 525445906 /nfs/dbraw/zinc/44/59/06/525445906.db2.gz KANYPYIZICFYJA-SGTLLEGYSA-N 0 3 320.383 3.243 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160548717 525446196 /nfs/dbraw/zinc/44/61/96/525446196.db2.gz XGINOKLIHLBKJL-FPTDNZKUSA-N 0 3 316.470 3.341 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160548856 525525228 /nfs/dbraw/zinc/52/52/28/525525228.db2.gz XGINOKLIHLBKJL-PEBXRYMYSA-N 0 3 316.470 3.341 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc2c(cc1[O-])CCCC2 ZINC000188002151 525637728 /nfs/dbraw/zinc/63/77/28/525637728.db2.gz MAUXOPCQMKRLOT-HBUWYVDXSA-N 0 3 303.446 3.473 20 10 DGCDHN Cc1ccc([C@H](C[NH2+]Cc2cc(F)ccc2[O-])N2CCCC2)o1 ZINC000180917979 525959028 /nfs/dbraw/zinc/95/90/28/525959028.db2.gz NMDVSFAAQZCRCD-INIZCTEOSA-N 0 3 318.392 3.359 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C)COC2)c1[O-] ZINC000187199540 526160771 /nfs/dbraw/zinc/16/07/71/526160771.db2.gz GLKGAFUXOGIQBX-JTQLQIEISA-N 0 3 314.223 3.150 20 10 DGCDHN Cc1cncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000189951828 526192066 /nfs/dbraw/zinc/19/20/66/526192066.db2.gz QXWPKUIQNNNPKA-SFHVURJKSA-N 0 3 312.413 3.277 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000180243466 526348962 /nfs/dbraw/zinc/34/89/62/526348962.db2.gz CWBIEFLAUQBSTI-KRWDZBQOSA-N 0 3 323.408 3.081 20 10 DGCDHN CC[C@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1ccccc1[O-] ZINC000274960045 535902644 /nfs/dbraw/zinc/90/26/44/535902644.db2.gz WLAMRPNXRLHYGM-KRWDZBQOSA-N 0 3 312.413 3.171 20 10 DGCDHN COc1ccc(N2CCCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000732198625 574568660 /nfs/dbraw/zinc/56/86/60/574568660.db2.gz ZOKUVYYULUFHCX-MRXNPFEDSA-N 0 3 311.429 3.364 20 10 DGCDHN COc1ccc(C[NH2+]CC(C)(C)Oc2ccccc2)c([O-])c1 ZINC000734161008 574653571 /nfs/dbraw/zinc/65/35/71/574653571.db2.gz KHFYCJFMSXHHRJ-UHFFFAOYSA-N 0 3 301.386 3.348 20 10 DGCDHN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000734477168 574663791 /nfs/dbraw/zinc/66/37/91/574663791.db2.gz LWCCUDCUOUJOFF-HIFRSBDPSA-N 0 3 311.381 3.499 20 10 DGCDHN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000734477168 574663793 /nfs/dbraw/zinc/66/37/93/574663793.db2.gz LWCCUDCUOUJOFF-HIFRSBDPSA-N 0 3 311.381 3.499 20 10 DGCDHN CC(C)[C@H]1CN(C)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000738285881 574864536 /nfs/dbraw/zinc/86/45/36/574864536.db2.gz QDXSTYFTHXWTFJ-MRXNPFEDSA-N 0 3 320.477 3.167 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000741157816 574952605 /nfs/dbraw/zinc/95/26/05/574952605.db2.gz CYXZVVDXGNFKBC-UHFFFAOYSA-N 0 3 311.410 3.243 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](N3CC=CC3)C2)cc1C(C)C ZINC000742163820 574983515 /nfs/dbraw/zinc/98/35/15/574983515.db2.gz WLEVWAFLNOYJRK-KRWDZBQOSA-N 0 3 300.446 3.270 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](N3CC=CC3)C2)cc1C(C)C ZINC000742163820 574983516 /nfs/dbraw/zinc/98/35/16/574983516.db2.gz WLEVWAFLNOYJRK-KRWDZBQOSA-N 0 3 300.446 3.270 20 10 DGCDHN COC(=O)/C(C)=C\C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000748818215 575609721 /nfs/dbraw/zinc/60/97/21/575609721.db2.gz SDKPZNBJUDEAKC-KAMYIIQDSA-N 0 3 303.402 3.256 20 10 DGCDHN COC(=O)/C(C)=C\C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000748818215 575609725 /nfs/dbraw/zinc/60/97/25/575609725.db2.gz SDKPZNBJUDEAKC-KAMYIIQDSA-N 0 3 303.402 3.256 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H](C)N(C)C ZINC000749571554 575665630 /nfs/dbraw/zinc/66/56/30/575665630.db2.gz YKHFQBIYTKNDRT-MRXNPFEDSA-N 0 3 313.445 3.082 20 10 DGCDHN COC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000751945625 575813880 /nfs/dbraw/zinc/81/38/80/575813880.db2.gz ALKJDXKTOOCDIX-AWEZNQCLSA-N 0 3 301.386 3.165 20 10 DGCDHN COC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000751945625 575813881 /nfs/dbraw/zinc/81/38/81/575813881.db2.gz ALKJDXKTOOCDIX-AWEZNQCLSA-N 0 3 301.386 3.165 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1NCc2ccccc21 ZINC000852800580 620649367 /nfs/dbraw/zinc/64/93/67/620649367.db2.gz QFRWGUROLXAQBH-SFHVURJKSA-N 0 3 324.424 3.365 20 10 DGCDHN O=C(c1cccc2c1CCNC2)N1CCCc2cc(F)ccc21 ZINC000852811738 620650457 /nfs/dbraw/zinc/65/04/57/620650457.db2.gz JXXNOLCPVJDUCI-UHFFFAOYSA-N 0 3 310.372 3.064 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)c2c1 ZINC000853586647 620712643 /nfs/dbraw/zinc/71/26/43/620712643.db2.gz VTJKDPBAAZVXIK-CABCVRRESA-N 0 3 313.397 3.022 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)c2c1 ZINC000853586647 620712645 /nfs/dbraw/zinc/71/26/45/620712645.db2.gz VTJKDPBAAZVXIK-CABCVRRESA-N 0 3 313.397 3.022 20 10 DGCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(C)CCCC2)N(C)C)cc1 ZINC000891251063 617760547 /nfs/dbraw/zinc/76/05/47/617760547.db2.gz CUWDIXXBVHFDGJ-QGZVFWFLSA-N 0 3 317.477 3.052 20 10 DGCDHN CN(C)c1ccc([C@H](CNC(=O)CCC2CCC2)N(C)C)cc1 ZINC000891254505 617761160 /nfs/dbraw/zinc/76/11/60/617761160.db2.gz YLYYAFFCTQAOMB-SFHVURJKSA-N 0 3 317.477 3.052 20 10 DGCDHN COc1ccc(C[N@H+](C)C2Cc3ccccc3C2)c([O-])c1OC ZINC000891788074 617898746 /nfs/dbraw/zinc/89/87/46/617898746.db2.gz ZOWTWFZZPXCVBO-UHFFFAOYSA-N 0 3 313.397 3.009 20 10 DGCDHN COc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)c([O-])c1OC ZINC000891788074 617898748 /nfs/dbraw/zinc/89/87/48/617898748.db2.gz ZOWTWFZZPXCVBO-UHFFFAOYSA-N 0 3 313.397 3.009 20 10 DGCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3c(C)noc3C)C2)cc1 ZINC000926680204 618086218 /nfs/dbraw/zinc/08/62/18/618086218.db2.gz KZWOGJUJYHFODS-DOMZBBRYSA-N 0 3 315.417 3.230 20 10 DGCDHN CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840889843 618144317 /nfs/dbraw/zinc/14/43/17/618144317.db2.gz IUXAXALYSRXJPA-CVEARBPZSA-N 0 3 317.477 3.241 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000840896628 618404983 /nfs/dbraw/zinc/40/49/83/618404983.db2.gz JIVRHIGSBZXXPD-UKRRQHHQSA-N 0 3 300.377 3.461 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1nccn1C1CC1 ZINC000894939157 618502331 /nfs/dbraw/zinc/50/23/31/618502331.db2.gz IOILDXZZMWAAMG-HNNXBMFYSA-N 0 3 312.461 3.313 20 10 DGCDHN COc1ccccc1C1(NCc2cc(C)cc(OC)c2O)CC1 ZINC000895076628 618530607 /nfs/dbraw/zinc/53/06/07/618530607.db2.gz XXYXQRLTMKPRPK-UHFFFAOYSA-N 0 3 313.397 3.497 20 10 DGCDHN CCOc1ccc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000895310381 618593006 /nfs/dbraw/zinc/59/30/06/618593006.db2.gz ODILLVZJBPVGBV-CQSZACIVSA-N 0 3 316.401 3.055 20 10 DGCDHN Cc1ccsc1[C@H](CO)NCc1ccc(N(C)C)cc1C ZINC000840935203 618610025 /nfs/dbraw/zinc/61/00/25/618610025.db2.gz IGFGMWKDFIAPFQ-INIZCTEOSA-N 0 3 304.459 3.254 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1ccccc1[O-] ZINC000925853374 618646492 /nfs/dbraw/zinc/64/64/92/618646492.db2.gz INULGCWVLYLHKD-TZMCWYRMSA-N 0 3 302.340 3.117 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000840978551 618653708 /nfs/dbraw/zinc/65/37/08/618653708.db2.gz SEYHQHPYEBUISS-OAHLLOKOSA-N 0 3 304.340 3.039 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000840978544 618653943 /nfs/dbraw/zinc/65/39/43/618653943.db2.gz SEYHQHPYEBUISS-HNNXBMFYSA-N 0 3 304.340 3.039 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2ccc3oc(=O)oc3c2)cc1 ZINC000893864780 618668433 /nfs/dbraw/zinc/66/84/33/618668433.db2.gz ZXALVGHVGNFFFB-UHFFFAOYSA-N 0 3 312.369 3.084 20 10 DGCDHN CCc1noc(CC)c1CNCc1cc(C)cc(OC)c1O ZINC000894352489 618770668 /nfs/dbraw/zinc/77/06/68/618770668.db2.gz NYCXRMSQEUNRCM-UHFFFAOYSA-N 0 3 304.390 3.112 20 10 DGCDHN COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[O-])[nH]c1C(C)C ZINC000895459429 618787077 /nfs/dbraw/zinc/78/70/77/618787077.db2.gz BYNZNTZVOJFDRO-LBPRGKRZSA-N 0 3 316.401 3.481 20 10 DGCDHN Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccccc3[O-])C2)cc1C ZINC000895499886 618793363 /nfs/dbraw/zinc/79/33/63/618793363.db2.gz ZUBYJDSZUSYPAQ-QGZVFWFLSA-N 0 3 310.397 3.292 20 10 DGCDHN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCN1c1cc[nH+]cc1 ZINC000895558287 618799122 /nfs/dbraw/zinc/79/91/22/618799122.db2.gz VDDJBKHPDIVMLA-CYBMUJFWSA-N 0 3 317.820 3.151 20 10 DGCDHN Cc1ccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000895799041 618833209 /nfs/dbraw/zinc/83/32/09/618833209.db2.gz GEABNKDBRICBAQ-QGZVFWFLSA-N 0 3 319.445 3.156 20 10 DGCDHN COC1(OC)CC2(C[N@H+](Cc3ccc(C)cc3[O-])[C@H]2C(C)C)C1 ZINC000895987291 618857596 /nfs/dbraw/zinc/85/75/96/618857596.db2.gz CFKIMGKUAGJWTC-KRWDZBQOSA-N 0 3 319.445 3.310 20 10 DGCDHN COC1(OC)CC2(C[N@@H+](Cc3ccc(C)cc3[O-])[C@H]2C(C)C)C1 ZINC000895987291 618857597 /nfs/dbraw/zinc/85/75/97/618857597.db2.gz CFKIMGKUAGJWTC-KRWDZBQOSA-N 0 3 319.445 3.310 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000896820759 618965107 /nfs/dbraw/zinc/96/51/07/618965107.db2.gz BIODCTUUFFAHPO-FZMZJTMJSA-N 0 3 303.324 3.290 20 10 DGCDHN CC[C@@H]([NH2+]CCCONC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000897426284 619111162 /nfs/dbraw/zinc/11/11/62/619111162.db2.gz PBKZQBZHOGMPDR-CQSZACIVSA-N 0 3 324.421 3.279 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000897536500 619151024 /nfs/dbraw/zinc/15/10/24/619151024.db2.gz MAKYWMFOBGOSLL-FZMZJTMJSA-N 0 3 313.825 3.085 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000898516511 619283500 /nfs/dbraw/zinc/28/35/00/619283500.db2.gz UECUEHYAWNPEML-NVXWUHKLSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000898516511 619283502 /nfs/dbraw/zinc/28/35/02/619283502.db2.gz UECUEHYAWNPEML-NVXWUHKLSA-N 0 3 319.445 3.430 20 10 DGCDHN C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1cc(F)ccc1[O-] ZINC000903240496 619743007 /nfs/dbraw/zinc/74/30/07/619743007.db2.gz SORNDAZCNYMRMX-LBPRGKRZSA-N 0 3 303.381 3.379 20 10 DGCDHN CC[C@@H](NCc1cnn(CCF)c1)c1ccc(N(C)C)cc1 ZINC000903273680 619750578 /nfs/dbraw/zinc/75/05/78/619750578.db2.gz FJAXNGYKHXGSSU-QGZVFWFLSA-N 0 3 304.413 3.160 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cnn(CCF)c2)c2c1c(F)ccc2[O-] ZINC000903274429 619750586 /nfs/dbraw/zinc/75/05/86/619750586.db2.gz MBTVXDJQHPNGBZ-ZWNOBZJWSA-N 0 3 307.344 3.035 20 10 DGCDHN C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cc(F)ccc1[O-] ZINC000903292869 619752145 /nfs/dbraw/zinc/75/21/45/619752145.db2.gz NAPDHLYOWOSLLT-XJKSGUPXSA-N 0 3 303.377 3.176 20 10 DGCDHN CC(C)O[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCOC1 ZINC000903357237 619764663 /nfs/dbraw/zinc/76/46/63/619764663.db2.gz LJLUCJYYOZYPSL-YEWDVWPNSA-N 0 3 323.408 3.253 20 10 DGCDHN C[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)c2c1c(F)ccc2[O-] ZINC000903441155 619775734 /nfs/dbraw/zinc/77/57/34/619775734.db2.gz YGNKJFQXSIWOHS-VGQSVSGKSA-N 0 3 313.372 3.328 20 10 DGCDHN Cc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000153696111 620594663 /nfs/dbraw/zinc/59/46/63/620594663.db2.gz RORIMBSSFZJUIU-GOSISDBHSA-N 0 3 312.413 3.277 20 10 DGCDHN FCCn1cc(CNCc2ccc(N3CCCCC3)cc2)cn1 ZINC000921619812 620915977 /nfs/dbraw/zinc/91/59/77/620915977.db2.gz PPFUAYNTUOXJIL-UHFFFAOYSA-N 0 3 316.424 3.133 20 10 DGCDHN O=c1[nH]c2cc(CNCc3ccc4c(c3)CCCO4)ccc2o1 ZINC000922323101 621024578 /nfs/dbraw/zinc/02/45/78/621024578.db2.gz KIWPBZLYQNSLSP-UHFFFAOYSA-N 0 3 310.353 3.148 20 10 DGCDHN C[NH+](C)CC[C@@H](NCc1c([O-])cccc1Cl)c1cccnc1 ZINC000922627336 621069760 /nfs/dbraw/zinc/06/97/60/621069760.db2.gz IGSYVONPOPOHQN-MRXNPFEDSA-N 0 3 319.836 3.223 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013757 621145713 /nfs/dbraw/zinc/14/57/13/621145713.db2.gz FJSZZFWYDUDSDW-KRWDZBQOSA-N 0 3 310.397 3.318 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013757 621145716 /nfs/dbraw/zinc/14/57/16/621145716.db2.gz FJSZZFWYDUDSDW-KRWDZBQOSA-N 0 3 310.397 3.318 20 10 DGCDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccccc1 ZINC000858164686 621160642 /nfs/dbraw/zinc/16/06/42/621160642.db2.gz CTMRTTUJJPIHQX-KZULUSFZSA-N 0 3 320.383 3.243 20 10 DGCDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccccc1 ZINC000858164688 621160721 /nfs/dbraw/zinc/16/07/21/621160721.db2.gz CTMRTTUJJPIHQX-XIKOKIGWSA-N 0 3 320.383 3.243 20 10 DGCDHN C[C@@H](Cc1ccccn1)NCc1cc(F)c(N(C)C)cc1F ZINC000858185997 621162569 /nfs/dbraw/zinc/16/25/69/621162569.db2.gz NPHOFBUEDUBPPA-LBPRGKRZSA-N 0 3 305.372 3.147 20 10 DGCDHN CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(C)ccc1O ZINC000858236952 621166606 /nfs/dbraw/zinc/16/66/06/621166606.db2.gz BLGPNJPRXQCNEF-UHFFFAOYSA-N 0 3 316.357 3.297 20 10 DGCDHN Cc1ccc(O)c(CNCc2cnc([C@H]3CCCO3)s2)c1 ZINC000858237082 621166721 /nfs/dbraw/zinc/16/67/21/621166721.db2.gz DYNHKFRUMOETRZ-OAHLLOKOSA-N 0 3 304.415 3.298 20 10 DGCDHN Cc1ccc(O)c(CNCc2cnc([C@@H]3CCCO3)s2)c1 ZINC000858237081 621166835 /nfs/dbraw/zinc/16/68/35/621166835.db2.gz DYNHKFRUMOETRZ-HNNXBMFYSA-N 0 3 304.415 3.298 20 10 DGCDHN CC[C@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000858526941 621201503 /nfs/dbraw/zinc/20/15/03/621201503.db2.gz BPYYMFLKUOGGQX-PKOBYXMFSA-N 0 3 323.440 3.357 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602558 621209005 /nfs/dbraw/zinc/20/90/05/621209005.db2.gz BVOKXQAFTZPJOO-NHYWBVRUSA-N 0 3 322.836 3.158 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c([O-])c1 ZINC000839191818 621346696 /nfs/dbraw/zinc/34/66/96/621346696.db2.gz KCINWTXROVEREV-CVEARBPZSA-N 0 3 307.434 3.473 20 10 DGCDHN CC(C)(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000753747638 621463259 /nfs/dbraw/zinc/46/32/59/621463259.db2.gz LEKIAJQNHZSEFW-INIZCTEOSA-N 0 3 319.445 3.379 20 10 DGCDHN CC(C)(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000753747638 621463260 /nfs/dbraw/zinc/46/32/60/621463260.db2.gz LEKIAJQNHZSEFW-INIZCTEOSA-N 0 3 319.445 3.379 20 10 DGCDHN CCCN(Cc1cc(F)c(N(C)C)cc1F)CC(C)(C)O ZINC000862238706 621565330 /nfs/dbraw/zinc/56/53/30/621565330.db2.gz GQTWCSQBKGJIKX-UHFFFAOYSA-N 0 3 300.393 3.014 20 10 DGCDHN COc1ccc(CNCc2ccc(F)c(F)c2N(C)C)c(O)c1 ZINC000862353763 621576757 /nfs/dbraw/zinc/57/67/57/621576757.db2.gz ZMWURJHJXKVFKJ-UHFFFAOYSA-N 0 3 322.355 3.035 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)c([O-])c1 ZINC000862353763 621576758 /nfs/dbraw/zinc/57/67/58/621576758.db2.gz ZMWURJHJXKVFKJ-UHFFFAOYSA-N 0 3 322.355 3.035 20 10 DGCDHN Cc1ccc(O)c(CNC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000862758890 621614306 /nfs/dbraw/zinc/61/43/06/621614306.db2.gz PJUKBIXMLNCSEC-UHFFFAOYSA-N 0 3 324.424 3.226 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cn1 ZINC000756380248 621633361 /nfs/dbraw/zinc/63/33/61/621633361.db2.gz FQGRODMLDPITKY-MFKMUULPSA-N 0 3 302.349 3.273 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756433737 621638216 /nfs/dbraw/zinc/63/82/16/621638216.db2.gz YGYRENBFOGVUJQ-OCCSQVGLSA-N 0 3 320.408 3.072 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000756457849 621639408 /nfs/dbraw/zinc/63/94/08/621639408.db2.gz RRSMEYXDMPCEFP-STQMWFEESA-N 0 3 301.361 3.433 20 10 DGCDHN Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756537080 621645723 /nfs/dbraw/zinc/64/57/23/621645723.db2.gz ZTFNCEFKNIIUOV-BHDSKKPTSA-N 0 3 303.381 3.472 20 10 DGCDHN CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756546348 621646653 /nfs/dbraw/zinc/64/66/53/621646653.db2.gz OWFDCATVSIKMCA-STQMWFEESA-N 0 3 312.404 3.441 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756554286 621647949 /nfs/dbraw/zinc/64/79/49/621647949.db2.gz ORSBCTBJVGACRU-KYOSRNDESA-N 0 3 304.409 3.154 20 10 DGCDHN C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000756561605 621649252 /nfs/dbraw/zinc/64/92/52/621649252.db2.gz FQOAMSYGNNAMGC-BFUOFWGJSA-N 0 3 315.388 3.406 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)Cc3ccccc3C2)c([O-])c1 ZINC000756596885 621651557 /nfs/dbraw/zinc/65/15/57/621651557.db2.gz IFDWVKSPNJUDBL-MRXNPFEDSA-N 0 3 324.468 3.450 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756632995 621654588 /nfs/dbraw/zinc/65/45/88/621654588.db2.gz GKGHMPKXOXYLFR-IVMMDQJWSA-N 0 3 315.388 3.445 20 10 DGCDHN C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000756661156 621657249 /nfs/dbraw/zinc/65/72/49/621657249.db2.gz YSAVYESOIZPDKF-VIFPVBQESA-N 0 3 317.286 3.141 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000756736443 621661749 /nfs/dbraw/zinc/66/17/49/621661749.db2.gz NWIMQEAFIMBAJS-MDZLAQPJSA-N 0 3 320.408 3.069 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)c2c1c(F)ccc2[O-] ZINC000756788879 621664976 /nfs/dbraw/zinc/66/49/76/621664976.db2.gz FVWAVODJYRPWPN-WBMJQRKESA-N 0 3 315.388 3.404 20 10 DGCDHN CO[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(F)(F)F ZINC000756835118 621667041 /nfs/dbraw/zinc/66/70/41/621667041.db2.gz MTYWDSQPRBUXOH-BCMRRPTOSA-N 0 3 307.287 3.247 20 10 DGCDHN OC[C@@H](CC(F)(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000756994737 621677874 /nfs/dbraw/zinc/67/78/74/621677874.db2.gz YXQGPFUBRKWANL-CQSZACIVSA-N 0 3 316.367 3.080 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000863548553 621682940 /nfs/dbraw/zinc/68/29/40/621682940.db2.gz ZVTBRCOWNHWGRE-OPRDCNLKSA-N 0 3 303.233 3.490 20 10 DGCDHN C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000863548553 621682941 /nfs/dbraw/zinc/68/29/41/621682941.db2.gz ZVTBRCOWNHWGRE-OPRDCNLKSA-N 0 3 303.233 3.490 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000014966722 621738103 /nfs/dbraw/zinc/73/81/03/621738103.db2.gz SSTXMWYCLCWGFL-OAHLLOKOSA-N 0 3 311.303 3.234 20 10 DGCDHN Cc1c(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cnn1C ZINC000758550569 621788573 /nfs/dbraw/zinc/78/85/73/621788573.db2.gz XQYPUPOKJFIFDU-UHFFFAOYSA-N 0 3 307.397 3.391 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c([O-])c1 ZINC000865650078 621971022 /nfs/dbraw/zinc/97/10/22/621971022.db2.gz BSOCGPLSUAEDAV-MJGOQNOKSA-N 0 3 313.397 3.411 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000865653595 621971990 /nfs/dbraw/zinc/97/19/90/621971990.db2.gz HLPCIWNYYWDPKV-OAHLLOKOSA-N 0 3 309.768 3.398 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000865688646 621977825 /nfs/dbraw/zinc/97/78/25/621977825.db2.gz IZJUMGPYIVEKSZ-MRXNPFEDSA-N 0 3 307.340 3.165 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c([O-])c1 ZINC000865736120 621986509 /nfs/dbraw/zinc/98/65/09/621986509.db2.gz GGNFRQUWFZELHJ-ROUUACIJSA-N 0 3 305.418 3.228 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)c2ccncc2)c1[O-] ZINC000761206542 621994276 /nfs/dbraw/zinc/99/42/76/621994276.db2.gz JUVDFKNMDIRMBH-LLVKDONJSA-N 0 3 306.793 3.343 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000866464276 622122676 /nfs/dbraw/zinc/12/26/76/622122676.db2.gz VEEULWQXBIKOCU-XBFCOCLRSA-N 0 3 305.340 3.381 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1[O-] ZINC000763477167 622147733 /nfs/dbraw/zinc/14/77/33/622147733.db2.gz DGVWCWVCBDBEFQ-CQSZACIVSA-N 0 3 303.789 3.317 20 10 DGCDHN COc1ccc([C@H](CCO)NCc2ccc(OC)c(C)c2)cc1 ZINC000763496003 622148159 /nfs/dbraw/zinc/14/81/59/622148159.db2.gz LVOFAGIDZAIPNX-SFHVURJKSA-N 0 3 315.413 3.226 20 10 DGCDHN Cc1cc(C)cc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000766090128 622304990 /nfs/dbraw/zinc/30/49/90/622304990.db2.gz HWRGXTVJHAJQTN-SFHVURJKSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1cc(C)cc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000766090128 622304992 /nfs/dbraw/zinc/30/49/92/622304992.db2.gz HWRGXTVJHAJQTN-SFHVURJKSA-N 0 3 313.397 3.067 20 10 DGCDHN C[C@@H](NCCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000766525694 622336831 /nfs/dbraw/zinc/33/68/31/622336831.db2.gz APFPCOLSUPQZRA-LLVKDONJSA-N 0 3 320.330 3.265 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC000767196972 622381951 /nfs/dbraw/zinc/38/19/51/622381951.db2.gz ZWMRVLZPNBYNCS-QZTJIDSGSA-N 0 3 305.418 3.086 20 10 DGCDHN COCCN(Cc1cccs1)Cc1ccc(N(C)C)cc1 ZINC000768199054 622445110 /nfs/dbraw/zinc/44/51/10/622445110.db2.gz WNCRFDJKEGQQET-UHFFFAOYSA-N 0 3 304.459 3.463 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)c([O-])c1 ZINC000768197823 622445155 /nfs/dbraw/zinc/44/51/55/622445155.db2.gz NLSZCPFLAVMIJW-KRWDZBQOSA-N 0 3 300.402 3.467 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)c([O-])c1 ZINC000768197823 622445157 /nfs/dbraw/zinc/44/51/57/622445157.db2.gz NLSZCPFLAVMIJW-KRWDZBQOSA-N 0 3 300.402 3.467 20 10 DGCDHN c1ccc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000768356356 622451999 /nfs/dbraw/zinc/45/19/99/622451999.db2.gz XGKOJHMTZZZZQB-HXUWFJFHSA-N 0 3 323.440 3.255 20 10 DGCDHN CC(C)(C)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768444472 622456127 /nfs/dbraw/zinc/45/61/27/622456127.db2.gz BQDGITDGYQYVPN-INIZCTEOSA-N 0 3 305.418 3.076 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccsc1)[C@@H](O)CO2 ZINC000768439705 622456171 /nfs/dbraw/zinc/45/61/71/622456171.db2.gz MRXKUCYNPBEAKL-HOCLYGCPSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccsc1)[C@@H](O)CO2 ZINC000768439705 622456172 /nfs/dbraw/zinc/45/61/72/622456172.db2.gz MRXKUCYNPBEAKL-HOCLYGCPSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCCCC1)[C@H](O)CO2 ZINC000768442515 622456425 /nfs/dbraw/zinc/45/64/25/622456425.db2.gz KWXKAVIJKKJURL-FUHWJXTLSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCCCC1)[C@H](O)CO2 ZINC000768442515 622456426 /nfs/dbraw/zinc/45/64/26/622456426.db2.gz KWXKAVIJKKJURL-FUHWJXTLSA-N 0 3 317.429 3.363 20 10 DGCDHN CCCCC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462142 622457897 /nfs/dbraw/zinc/45/78/97/622457897.db2.gz JXWSSEGVQGHWAD-RHSMWYFYSA-N 0 3 305.418 3.363 20 10 DGCDHN CCCCC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462142 622457899 /nfs/dbraw/zinc/45/78/99/622457899.db2.gz JXWSSEGVQGHWAD-RHSMWYFYSA-N 0 3 305.418 3.363 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC(OCCC(C)C)CC1 ZINC000768904468 622484866 /nfs/dbraw/zinc/48/48/66/622484866.db2.gz YZHFEWYYQHCRIL-UHFFFAOYSA-N 0 3 307.434 3.428 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000768936923 622486627 /nfs/dbraw/zinc/48/66/27/622486627.db2.gz JCMHGXAASWLBDQ-AWEZNQCLSA-N 0 3 308.853 3.496 20 10 DGCDHN Nc1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC000769386643 622523322 /nfs/dbraw/zinc/52/33/22/622523322.db2.gz CVLZEJXPDBJACH-UHFFFAOYSA-N 0 3 303.431 3.376 20 10 DGCDHN Nc1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC000769386643 622523326 /nfs/dbraw/zinc/52/33/26/622523326.db2.gz CVLZEJXPDBJACH-UHFFFAOYSA-N 0 3 303.431 3.376 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC(O)(CC)CC2)cc1F ZINC000769485732 622533078 /nfs/dbraw/zinc/53/30/78/622533078.db2.gz OMXHYQJDRGNRFL-UHFFFAOYSA-N 0 3 308.441 3.409 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000770375004 622627116 /nfs/dbraw/zinc/62/71/16/622627116.db2.gz PPTGMSRIDAEECC-HOCLYGCPSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000770375004 622627122 /nfs/dbraw/zinc/62/71/22/622627122.db2.gz PPTGMSRIDAEECC-HOCLYGCPSA-N 0 3 305.418 3.039 20 10 DGCDHN C[C@H](N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000771787951 622796158 /nfs/dbraw/zinc/79/61/58/622796158.db2.gz WAOGBTXMRBJRSB-HNNXBMFYSA-N 0 3 319.493 3.077 20 10 DGCDHN CC1(C)C[NH2+]CC[C@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000872254330 622867817 /nfs/dbraw/zinc/86/78/17/622867817.db2.gz ZTANIPKQEHHHTN-JTQLQIEISA-N 0 3 300.805 3.053 20 10 DGCDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C ZINC000773042482 622973036 /nfs/dbraw/zinc/97/30/36/622973036.db2.gz BDENFTURTNEEPZ-HZPDHXFCSA-N 0 3 317.477 3.194 20 10 DGCDHN COc1cc(O)c(CN2CC[C@](C)(C(F)(F)F)C2)cc1OC ZINC000872803608 622982265 /nfs/dbraw/zinc/98/22/65/622982265.db2.gz CGUZQBYPSRFQJV-AWEZNQCLSA-N 0 3 319.323 3.184 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CO)CC(F)(F)F)cc1 ZINC000773108302 622985559 /nfs/dbraw/zinc/98/55/59/622985559.db2.gz WAGLRRNQTQIFOO-DGCLKSJQSA-N 0 3 304.356 3.107 20 10 DGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc[nH]1 ZINC000773115857 622986383 /nfs/dbraw/zinc/98/63/83/622986383.db2.gz AITPMOKSFVZDHK-KBPBESRZSA-N 0 3 317.408 3.402 20 10 DGCDHN CCCOc1ccc(CNCc2c(C)nn(C)c2C)cc1C ZINC000873033827 623022393 /nfs/dbraw/zinc/02/23/93/623022393.db2.gz JYNURXNJEOJHBS-UHFFFAOYSA-N 0 3 301.434 3.424 20 10 DGCDHN CC(C)N(C(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000774483982 623151372 /nfs/dbraw/zinc/15/13/72/623151372.db2.gz NXTQKCXDIZJEQT-JKSUJKDBSA-N 0 3 319.493 3.437 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ccccc1[O-] ZINC000775128393 623233965 /nfs/dbraw/zinc/23/39/65/623233965.db2.gz ASEAHWLHCRWWMA-KFWWJZLASA-N 0 3 324.424 3.409 20 10 DGCDHN CCC[C@]1(C(=O)OCC)CCCN1Cc1cccc(C)c1O ZINC000775186028 623239570 /nfs/dbraw/zinc/23/95/70/623239570.db2.gz ZIALXWDARBZLNQ-GOSISDBHSA-N 0 3 305.418 3.398 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000775690302 623314681 /nfs/dbraw/zinc/31/46/81/623314681.db2.gz PRRMTNODMLLBNR-WCQYABFASA-N 0 3 323.742 3.242 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000775690303 623314964 /nfs/dbraw/zinc/31/49/64/623314964.db2.gz PRRMTNODMLLBNR-YPMHNXCESA-N 0 3 323.742 3.242 20 10 DGCDHN Cc1ccccc1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775829934 623338541 /nfs/dbraw/zinc/33/85/41/623338541.db2.gz BATQXJIUBQCUJO-HNNXBMFYSA-N 0 3 311.429 3.350 20 10 DGCDHN CC[C@H]1CCCCN1C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834185 623339767 /nfs/dbraw/zinc/33/97/67/623339767.db2.gz LFXOAGOETXMLMT-RDJZCZTQSA-N 0 3 317.477 3.194 20 10 DGCDHN CC(C)N(C(=O)CN[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000775833348 623339831 /nfs/dbraw/zinc/33/98/31/623339831.db2.gz BWVOWYAUNBGXNT-OAHLLOKOSA-N 0 3 305.466 3.049 20 10 DGCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000776864625 623472507 /nfs/dbraw/zinc/47/25/07/623472507.db2.gz MIGNGHHZHWNFTG-KKUMJFAQSA-N 0 3 320.433 3.300 20 10 DGCDHN COc1cc(O)c(CN2CCc3cc(C)ccc3C2)cc1OC ZINC000790446705 625655704 /nfs/dbraw/zinc/65/57/04/625655704.db2.gz MANFKAXJRHRJMM-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000876552926 623641605 /nfs/dbraw/zinc/64/16/05/623641605.db2.gz CZIMNNQTWWKYJR-HNNXBMFYSA-N 0 3 322.412 3.123 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000876552926 623641608 /nfs/dbraw/zinc/64/16/08/623641608.db2.gz CZIMNNQTWWKYJR-HNNXBMFYSA-N 0 3 322.412 3.123 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000876557017 623643392 /nfs/dbraw/zinc/64/33/92/623643392.db2.gz STHYKYOKEUZWKJ-UHFFFAOYSA-N 0 3 324.424 3.095 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c([O-])c1 ZINC000876719278 623688853 /nfs/dbraw/zinc/68/88/53/623688853.db2.gz HKFIBJKCVMEZDP-HNNXBMFYSA-N 0 3 318.461 3.075 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c([O-])c1 ZINC000876719278 623688854 /nfs/dbraw/zinc/68/88/54/623688854.db2.gz HKFIBJKCVMEZDP-HNNXBMFYSA-N 0 3 318.461 3.075 20 10 DGCDHN Cc1cccc(O)c1CN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000876773863 623702865 /nfs/dbraw/zinc/70/28/65/623702865.db2.gz XILKAYGBHVIZIU-OAQYLSRUSA-N 0 3 303.427 3.070 20 10 DGCDHN CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876815125 623714585 /nfs/dbraw/zinc/71/45/85/623714585.db2.gz VAEQPPDYVPWALR-HNNXBMFYSA-N 0 3 305.418 3.256 20 10 DGCDHN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876815125 623714588 /nfs/dbraw/zinc/71/45/88/623714588.db2.gz VAEQPPDYVPWALR-HNNXBMFYSA-N 0 3 305.418 3.256 20 10 DGCDHN C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000779035397 623723894 /nfs/dbraw/zinc/72/38/94/623723894.db2.gz ZJAZMWONOHSJQV-KZULUSFZSA-N 0 3 301.361 3.355 20 10 DGCDHN C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000779035397 623723898 /nfs/dbraw/zinc/72/38/98/623723898.db2.gz ZJAZMWONOHSJQV-KZULUSFZSA-N 0 3 301.361 3.355 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c([O-])c1 ZINC000876948023 623751842 /nfs/dbraw/zinc/75/18/42/623751842.db2.gz CWWCLGKPNZOJEV-QGZVFWFLSA-N 0 3 302.393 3.232 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000877036600 623772320 /nfs/dbraw/zinc/77/23/20/623772320.db2.gz RIWBGHIBSKROSX-LJQANCHMSA-N 0 3 315.413 3.311 20 10 DGCDHN Cc1ccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000877075601 623784917 /nfs/dbraw/zinc/78/49/17/623784917.db2.gz OMHOBQMVZFACBH-UHFFFAOYSA-N 0 3 308.422 3.094 20 10 DGCDHN Cc1noc(C2CCC([NH2+]Cc3ccc(C)cc3[O-])CC2)n1 ZINC000877075422 623785268 /nfs/dbraw/zinc/78/52/68/623785268.db2.gz BTAGTCZYWQYKGY-UHFFFAOYSA-N 0 3 301.390 3.208 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000877117359 623794929 /nfs/dbraw/zinc/79/49/29/623794929.db2.gz WDAFEHOJFYIZTE-CQSZACIVSA-N 0 3 307.459 3.235 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000877162557 623812028 /nfs/dbraw/zinc/81/20/28/623812028.db2.gz IOVIOOGGXTWFDP-OAHLLOKOSA-N 0 3 320.433 3.094 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000877460994 623893044 /nfs/dbraw/zinc/89/30/44/623893044.db2.gz ZUWRFAMNBYWBCD-UHFFFAOYSA-N 0 3 316.367 3.065 20 10 DGCDHN CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000877494097 623911118 /nfs/dbraw/zinc/91/11/18/623911118.db2.gz SNIPQBOFNIDZIW-XUSGNXJCSA-N 0 3 315.350 3.213 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c([O-])c1 ZINC000877539460 623932894 /nfs/dbraw/zinc/93/28/94/623932894.db2.gz NMMKTCWDQPEJAS-QGZVFWFLSA-N 0 3 303.427 3.340 20 10 DGCDHN COCCOCc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877542268 623934003 /nfs/dbraw/zinc/93/40/03/623934003.db2.gz RDFXGYWIDDRFGD-UHFFFAOYSA-N 0 3 315.413 3.153 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c([O-])c1 ZINC000877548893 623937178 /nfs/dbraw/zinc/93/71/78/623937178.db2.gz WCHVWTZCNCPXQZ-UHFFFAOYSA-N 0 3 311.425 3.227 20 10 DGCDHN COC[C@H](NCc1ccc(C)cc1O)c1cccc(OC)c1 ZINC000877626709 623968701 /nfs/dbraw/zinc/96/87/01/623968701.db2.gz YLYDLLZBPXZWGJ-KRWDZBQOSA-N 0 3 301.386 3.187 20 10 DGCDHN COc1cccc([C@H](C[NH2+]Cc2c(C)cccc2[O-])OC)c1 ZINC000877647171 623976543 /nfs/dbraw/zinc/97/65/43/623976543.db2.gz BDBIWEZEWQHIKT-SFHVURJKSA-N 0 3 301.386 3.187 20 10 DGCDHN OC1CCN(c2ccc(CN[C@@H]3CCCC[C@@H]3F)cc2)CC1 ZINC000877682331 623990329 /nfs/dbraw/zinc/99/03/29/623990329.db2.gz KBXICZMKCCNTJV-ZWKOTPCHSA-N 0 3 306.425 3.018 20 10 DGCDHN Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756023 624021988 /nfs/dbraw/zinc/02/19/88/624021988.db2.gz ZEFOTDIBLQVMCC-CYBMUJFWSA-N 0 3 322.412 3.441 20 10 DGCDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cc2c1OCCO2 ZINC000877756316 624022852 /nfs/dbraw/zinc/02/28/52/624022852.db2.gz GZDHREYMSYLGJJ-GFCCVEGCSA-N 0 3 315.369 3.023 20 10 DGCDHN COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756473 624022860 /nfs/dbraw/zinc/02/28/60/624022860.db2.gz KRRXUZQHKHGPDY-CYBMUJFWSA-N 0 3 317.385 3.234 20 10 DGCDHN COCOc1ccc(OC)cc1CN[C@H](C)c1ccccc1O ZINC000877756473 624022864 /nfs/dbraw/zinc/02/28/64/624022864.db2.gz KRRXUZQHKHGPDY-CYBMUJFWSA-N 0 3 317.385 3.234 20 10 DGCDHN CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000877777979 624033701 /nfs/dbraw/zinc/03/37/01/624033701.db2.gz HZESOYBDNAYMRR-GWCFXTLKSA-N 0 3 316.239 3.102 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CO1)CCOCC2 ZINC000878150857 624190490 /nfs/dbraw/zinc/19/04/90/624190490.db2.gz JQVLQIBRIAQAEO-QGZVFWFLSA-N 0 3 319.445 3.190 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CO1)CCOCC2 ZINC000878150857 624190492 /nfs/dbraw/zinc/19/04/92/624190492.db2.gz JQVLQIBRIAQAEO-QGZVFWFLSA-N 0 3 319.445 3.190 20 10 DGCDHN C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000783244268 624330117 /nfs/dbraw/zinc/33/01/17/624330117.db2.gz FOSUAYNJBVDWKD-UHOFOFEASA-N 0 3 308.853 3.398 20 10 DGCDHN C[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccccc1[O-] ZINC000783498863 624359179 /nfs/dbraw/zinc/35/91/79/624359179.db2.gz JKZZBTYWEIWJLV-HNNXBMFYSA-N 0 3 307.397 3.488 20 10 DGCDHN CO[C@@]1(C(F)(F)F)CCCN(Cc2cc(C)ccc2O)C1 ZINC000783716494 624386670 /nfs/dbraw/zinc/38/66/70/624386670.db2.gz AGIBATARRVGCBY-AWEZNQCLSA-N 0 3 303.324 3.244 20 10 DGCDHN CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648424 624621449 /nfs/dbraw/zinc/62/14/49/624621449.db2.gz OHSDMICYIQWESK-CYBMUJFWSA-N 0 3 314.385 3.080 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1ccccc1[O-] ZINC000879648651 624621534 /nfs/dbraw/zinc/62/15/34/624621534.db2.gz XOJQVWDLGFRYLS-CQSZACIVSA-N 0 3 304.434 3.082 20 10 DGCDHN C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC000879649048 624622513 /nfs/dbraw/zinc/62/25/13/624622513.db2.gz KGBLEZVXVGOMHO-GFCCVEGCSA-N 0 3 302.330 3.030 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CN(C2CCCCC2)C(=O)O1)c1ccccc1[O-] ZINC000879650310 624622937 /nfs/dbraw/zinc/62/29/37/624622937.db2.gz SVNGJWLTQYWAIL-HIFRSBDPSA-N 0 3 318.417 3.196 20 10 DGCDHN C[C@@H]([NH2+]CCC(=O)N1CCCc2ccccc21)c1ccccc1[O-] ZINC000879649612 624623119 /nfs/dbraw/zinc/62/31/19/624623119.db2.gz YMBAKIOQFJFVGE-OAHLLOKOSA-N 0 3 324.424 3.412 20 10 DGCDHN Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000879648790 624623201 /nfs/dbraw/zinc/62/32/01/624623201.db2.gz DUUWXICOPVIGRU-HZPDHXFCSA-N 0 3 315.413 3.100 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000879651551 624624628 /nfs/dbraw/zinc/62/46/28/624624628.db2.gz ASEAHWLHCRWWMA-SOUVJXGZSA-N 0 3 324.424 3.409 20 10 DGCDHN C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccccc1[O-] ZINC000879653362 624626691 /nfs/dbraw/zinc/62/66/91/624626691.db2.gz PAXWRIIVHFRADC-AWEZNQCLSA-N 0 3 302.418 3.050 20 10 DGCDHN COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653365 624626826 /nfs/dbraw/zinc/62/68/26/624626826.db2.gz PGYPXXNFRHLPPJ-QWHCGFSZSA-N 0 3 314.385 3.079 20 10 DGCDHN CC1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000785468928 624670998 /nfs/dbraw/zinc/67/09/98/624670998.db2.gz MHUAMFQKAKPVBU-HNNXBMFYSA-N 0 3 308.853 3.400 20 10 DGCDHN COC1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCC1 ZINC000792156759 625916578 /nfs/dbraw/zinc/91/65/78/625916578.db2.gz MHFWFXAEOFMRBS-KRWDZBQOSA-N 0 3 319.445 3.332 20 10 DGCDHN COC1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCC1 ZINC000792156759 625916583 /nfs/dbraw/zinc/91/65/83/625916583.db2.gz MHFWFXAEOFMRBS-KRWDZBQOSA-N 0 3 319.445 3.332 20 10 DGCDHN CC(C)CC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000796448951 626050699 /nfs/dbraw/zinc/05/06/99/626050699.db2.gz KVEONPYLSXVPHK-ZWKOTPCHSA-N 0 3 321.461 3.170 20 10 DGCDHN CC(C)CC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000796448951 626050701 /nfs/dbraw/zinc/05/07/01/626050701.db2.gz KVEONPYLSXVPHK-ZWKOTPCHSA-N 0 3 321.461 3.170 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000796481520 626054874 /nfs/dbraw/zinc/05/48/74/626054874.db2.gz IAAFTRJZQYVTDW-KUHUBIRLSA-N 0 3 315.413 3.311 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCN(CCc3ccccc3)CC2)c1 ZINC000798229334 626203505 /nfs/dbraw/zinc/20/35/05/626203505.db2.gz WPQGCJZZRVAGSQ-UHFFFAOYSA-N 0 3 324.468 3.369 20 10 DGCDHN COCCOC[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706192 626372439 /nfs/dbraw/zinc/37/24/39/626372439.db2.gz FBTFCXRAGGLLBK-NWDGAFQWSA-N 0 3 301.814 3.056 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)c([O-])c1 ZINC000800890140 626382858 /nfs/dbraw/zinc/38/28/58/626382858.db2.gz HHDIISLWVMFNIM-INIZCTEOSA-N 0 3 313.397 3.274 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CC2)C(=O)O1 ZINC000801595193 626411440 /nfs/dbraw/zinc/41/14/40/626411440.db2.gz IXYMDULUAXZSLA-OAHLLOKOSA-N 0 3 303.402 3.090 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CC2)C(=O)O1 ZINC000801595193 626411442 /nfs/dbraw/zinc/41/14/42/626411442.db2.gz IXYMDULUAXZSLA-OAHLLOKOSA-N 0 3 303.402 3.090 20 10 DGCDHN Clc1ccc2c(n1)CC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000806138085 626701143 /nfs/dbraw/zinc/70/11/43/626701143.db2.gz VPEMJEZCMVYMHX-CQSZACIVSA-N 0 3 300.789 3.447 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000132475621 626720194 /nfs/dbraw/zinc/72/01/94/626720194.db2.gz PZUWVXLTKQJKOB-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([O-])cs1)[NH+](C)C ZINC000807491713 626758816 /nfs/dbraw/zinc/75/88/16/626758816.db2.gz ADSRFQUZTUABJE-WBMJQRKESA-N 0 3 318.442 3.183 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c([O-])c1 ZINC000808444550 626825474 /nfs/dbraw/zinc/82/54/74/626825474.db2.gz IJUDLJLZXOKHTA-ACJLOTCBSA-N 0 3 301.386 3.003 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000808706217 626852009 /nfs/dbraw/zinc/85/20/09/626852009.db2.gz FFOKXCRKBLQJTC-DGCLKSJQSA-N 0 3 324.852 3.404 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1[O-] ZINC000808715530 626853272 /nfs/dbraw/zinc/85/32/72/626853272.db2.gz VLILYIHOQWRABP-AAEUAGOBSA-N 0 3 305.809 3.216 20 10 DGCDHN COc1ccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)c([O-])c1 ZINC000809658524 626934040 /nfs/dbraw/zinc/93/40/40/626934040.db2.gz QHTRFSPQWMVKSO-IHWYPQMZSA-N 0 3 305.324 3.482 20 10 DGCDHN COc1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)c([O-])c1 ZINC000809658525 626934167 /nfs/dbraw/zinc/93/41/67/626934167.db2.gz QHTRFSPQWMVKSO-NSCUHMNNSA-N 0 3 305.324 3.482 20 10 DGCDHN CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000809690621 626936660 /nfs/dbraw/zinc/93/66/60/626936660.db2.gz AQLSPRMHHGTYDY-MRXNPFEDSA-N 0 3 320.433 3.273 20 10 DGCDHN CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000809690621 626936662 /nfs/dbraw/zinc/93/66/62/626936662.db2.gz AQLSPRMHHGTYDY-MRXNPFEDSA-N 0 3 320.433 3.273 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000810252776 626992934 /nfs/dbraw/zinc/99/29/34/626992934.db2.gz JAGDGZACBXOBJP-PWSUYJOCSA-N 0 3 305.809 3.285 20 10 DGCDHN CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000810262306 626994543 /nfs/dbraw/zinc/99/45/43/626994543.db2.gz OJCSKVUDFYVQDN-VXGBXAGGSA-N 0 3 300.393 3.441 20 10 DGCDHN CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000810262306 626994545 /nfs/dbraw/zinc/99/45/45/626994545.db2.gz OJCSKVUDFYVQDN-VXGBXAGGSA-N 0 3 300.393 3.441 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1ccccc1[O-] ZINC000886772224 627203289 /nfs/dbraw/zinc/20/32/89/627203289.db2.gz VMCZSGACFBXPFK-NDVSXACPSA-N 0 3 319.445 3.406 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](n4cccn4)C3)c2c1 ZINC000812294419 627368150 /nfs/dbraw/zinc/36/81/50/627368150.db2.gz MNOHEMDDPLBSGN-HNNXBMFYSA-N 0 3 323.396 3.198 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](n4cccn4)C3)c2c1 ZINC000812294419 627368153 /nfs/dbraw/zinc/36/81/53/627368153.db2.gz MNOHEMDDPLBSGN-HNNXBMFYSA-N 0 3 323.396 3.198 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@H](O)C2(C)C)c(C(F)(F)F)c1 ZINC000812778391 627418857 /nfs/dbraw/zinc/41/88/57/627418857.db2.gz KAKMSFLUQZGMNO-CQSZACIVSA-N 0 3 316.367 3.117 20 10 DGCDHN CN1C[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000814172900 627546792 /nfs/dbraw/zinc/54/67/92/627546792.db2.gz CUFPUAUJNNVWDJ-PKOBYXMFSA-N 0 3 308.425 3.195 20 10 DGCDHN CN1C[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000814172900 627546794 /nfs/dbraw/zinc/54/67/94/627546794.db2.gz CUFPUAUJNNVWDJ-PKOBYXMFSA-N 0 3 308.425 3.195 20 10 DGCDHN C[C@@H](NCc1cnn(CC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000814296470 627557240 /nfs/dbraw/zinc/55/72/40/627557240.db2.gz BQAVUZOPUMBZJR-GFCCVEGCSA-N 0 3 308.376 3.065 20 10 DGCDHN Cc1cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815119743 627629915 /nfs/dbraw/zinc/62/99/15/627629915.db2.gz GHQOGZRTALGZEF-MSOLQXFVSA-N 0 3 302.462 3.450 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H](CO)C2CCCCC2)c([O-])c1 ZINC000815150783 627638218 /nfs/dbraw/zinc/63/82/18/627638218.db2.gz OKYCLVPDJNEJGM-INIZCTEOSA-N 0 3 307.434 3.069 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000815580107 627687191 /nfs/dbraw/zinc/68/71/91/627687191.db2.gz CFOYSUDHZFXVRD-ARFHVFGLSA-N 0 3 318.461 3.307 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000925777874 627794003 /nfs/dbraw/zinc/79/40/03/627794003.db2.gz RGYSPTAYRLMUKL-MFKMUULPSA-N 0 3 318.795 3.331 20 10 DGCDHN C[N@H+](CCNCc1cc(Cl)c(F)cc1[O-])C1CCCC1 ZINC000816548147 627805511 /nfs/dbraw/zinc/80/55/11/627805511.db2.gz WVMOUCHRHOKSSE-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN C[N@@H+](CCNCc1cc(Cl)c(F)cc1[O-])C1CCCC1 ZINC000816548147 627805514 /nfs/dbraw/zinc/80/55/14/627805514.db2.gz WVMOUCHRHOKSSE-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN CN1CCC[C@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)C1 ZINC000816642238 627817875 /nfs/dbraw/zinc/81/78/75/627817875.db2.gz ULGJZPMZZLYIGS-FQEVSTJZSA-N 0 3 310.441 3.463 20 10 DGCDHN CN1CCC[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)C1 ZINC000816642238 627817880 /nfs/dbraw/zinc/81/78/80/627817880.db2.gz ULGJZPMZZLYIGS-FQEVSTJZSA-N 0 3 310.441 3.463 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1[O-] ZINC000816638976 627817967 /nfs/dbraw/zinc/81/79/67/627817967.db2.gz CUHWLIWHKJTTJJ-VIFPVBQESA-N 0 3 308.765 3.006 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1[O-] ZINC000816653336 627820698 /nfs/dbraw/zinc/82/06/98/627820698.db2.gz OGDUNRVTASVWAW-OAHLLOKOSA-N 0 3 318.804 3.060 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c([O-])c1 ZINC000816656612 627821478 /nfs/dbraw/zinc/82/14/78/627821478.db2.gz YXWOHLHGDULREI-SFHVURJKSA-N 0 3 317.429 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c([O-])c1 ZINC000816656612 627821480 /nfs/dbraw/zinc/82/14/80/627821480.db2.gz YXWOHLHGDULREI-SFHVURJKSA-N 0 3 317.429 3.182 20 10 DGCDHN CC[C@@H]([NH2+]C1CCNCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817936891 627966703 /nfs/dbraw/zinc/96/67/03/627966703.db2.gz SBKGMKGNSWERBV-CYBMUJFWSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@@H]([NH2+]CC1(N)CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817943155 627970093 /nfs/dbraw/zinc/97/00/93/627970093.db2.gz JOMUZDMXWBWWPV-GFCCVEGCSA-N 0 3 307.394 3.003 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817959687 627974724 /nfs/dbraw/zinc/97/47/24/627974724.db2.gz GIJGAACJWZEXRK-OLZOCXBDSA-N 0 3 302.340 3.189 20 10 DGCDHN C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969549 627978821 /nfs/dbraw/zinc/97/88/21/627978821.db2.gz WXABKQFQVYRFHT-RVBZMBCESA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969549 627978823 /nfs/dbraw/zinc/97/88/23/627978823.db2.gz WXABKQFQVYRFHT-RVBZMBCESA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969551 627978899 /nfs/dbraw/zinc/97/88/99/627978899.db2.gz WXABKQFQVYRFHT-ZDMBXUJBSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969551 627978900 /nfs/dbraw/zinc/97/89/00/627978900.db2.gz WXABKQFQVYRFHT-ZDMBXUJBSA-N 0 3 303.233 3.348 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(C)cc1[O-] ZINC000927053705 628003069 /nfs/dbraw/zinc/00/30/69/628003069.db2.gz BBJUQZLUADRIMY-WNOSKKOXSA-N 0 3 305.418 3.424 20 10 DGCDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3nccs3)C2)cc1 ZINC000818343221 628015699 /nfs/dbraw/zinc/01/56/99/628015699.db2.gz ZRHUJVOSQBDAIY-KBPBESRZSA-N 0 3 317.458 3.329 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C(C)(C)C)C1=O ZINC000823026010 628519752 /nfs/dbraw/zinc/51/97/52/628519752.db2.gz OCKCLHAYJMJSEF-INIZCTEOSA-N 0 3 318.461 3.394 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C(C)(C)C)C1=O ZINC000823026010 628519754 /nfs/dbraw/zinc/51/97/54/628519754.db2.gz OCKCLHAYJMJSEF-INIZCTEOSA-N 0 3 318.461 3.394 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000824597663 628675712 /nfs/dbraw/zinc/67/57/12/628675712.db2.gz UBLOOAQFWKPONC-OAHLLOKOSA-N 0 3 308.853 3.414 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1[O-] ZINC000824715541 628686380 /nfs/dbraw/zinc/68/63/80/628686380.db2.gz LMGYFQWMZMKCFE-UHFFFAOYSA-N 0 3 324.852 3.235 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000824798375 628694448 /nfs/dbraw/zinc/69/44/48/628694448.db2.gz DBCAGJYTHCWSRT-RDTXWAMCSA-N 0 3 307.434 3.332 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892941 628704046 /nfs/dbraw/zinc/70/40/46/628704046.db2.gz GUXKMFAGZXSEDV-CVEARBPZSA-N 0 3 305.393 3.312 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892941 628704049 /nfs/dbraw/zinc/70/40/49/628704049.db2.gz GUXKMFAGZXSEDV-CVEARBPZSA-N 0 3 305.393 3.312 20 10 DGCDHN COc1cc(Cl)cc(CN2CCSC[C@H]2C2CC2)c1O ZINC000824913764 628705700 /nfs/dbraw/zinc/70/57/00/628705700.db2.gz FCNKRDOBNNGEDU-ZDUSSCGKSA-N 0 3 313.850 3.382 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971689 628712476 /nfs/dbraw/zinc/71/24/76/628712476.db2.gz WTHVZXXWJOHWKF-ZDUSSCGKSA-N 0 3 304.217 3.464 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCCC2(C)C)c1[O-] ZINC000825332450 628751049 /nfs/dbraw/zinc/75/10/49/628751049.db2.gz XHHCAWMFDXAKQE-UHFFFAOYSA-N 0 3 312.841 3.018 20 10 DGCDHN COC[C@H](NCc1cccc(C)c1O)c1cccc(OC)c1 ZINC000827011675 628912692 /nfs/dbraw/zinc/91/26/92/628912692.db2.gz LIIIJNINRBXCGT-KRWDZBQOSA-N 0 3 301.386 3.187 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1[O-] ZINC000827856800 628997556 /nfs/dbraw/zinc/99/75/56/628997556.db2.gz SAIALNOWIMLRSX-BDJLRTHQSA-N 0 3 321.804 3.266 20 10 DGCDHN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000827951072 629007402 /nfs/dbraw/zinc/00/74/02/629007402.db2.gz VLJRXFPOQNLYHO-CQSZACIVSA-N 0 3 308.853 3.257 20 10 DGCDHN CN(C)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)Cc1ccccc1 ZINC000834487369 629717106 /nfs/dbraw/zinc/71/71/06/629717106.db2.gz BZKVDKZCWQZLLX-ROUUACIJSA-N 0 3 310.441 3.142 20 10 DGCDHN CN(C)C(=O)C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834530072 629721320 /nfs/dbraw/zinc/72/13/20/629721320.db2.gz AUOVEOBHADBAIN-DLBZAZTESA-N 0 3 324.424 3.189 20 10 DGCDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834880789 629796183 /nfs/dbraw/zinc/79/61/83/629796183.db2.gz QUPWUFYQTCFZAS-TYNCELHUSA-N 0 3 313.825 3.056 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])[C@H](C)O ZINC000834888258 629798627 /nfs/dbraw/zinc/79/86/27/629798627.db2.gz NZTVRUZGHUKVJU-NRUUGDAUSA-N 0 3 316.239 3.273 20 10 DGCDHN C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834896283 629801111 /nfs/dbraw/zinc/80/11/11/629801111.db2.gz JOPOFHDGXWCLFF-MISXGVKJSA-N 0 3 303.381 3.034 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000835043815 629834037 /nfs/dbraw/zinc/83/40/37/629834037.db2.gz ZKEATWMGWUGNCX-XSXCZSQGSA-N 0 3 308.425 3.014 20 10 DGCDHN CN(C)c1ccc(/C=C\CN(C)[C@H](CO)c2ccccc2)cc1 ZINC000835053460 629837652 /nfs/dbraw/zinc/83/76/52/629837652.db2.gz COWRAVANZPVKHC-WHXUGTBJSA-N 0 3 310.441 3.431 20 10 DGCDHN COC(=O)[C@H](C)C[N@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000102652998 630192414 /nfs/dbraw/zinc/19/24/14/630192414.db2.gz FKGMKKXSXJNKCL-CYBMUJFWSA-N 0 3 313.397 3.319 20 10 DGCDHN COC(=O)[C@H](C)C[N@@H+](Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000102652998 630192418 /nfs/dbraw/zinc/19/24/18/630192418.db2.gz FKGMKKXSXJNKCL-CYBMUJFWSA-N 0 3 313.397 3.319 20 10 DGCDHN C[C@@H](NCCCSc1nccs1)c1cc2n(n1)CCC2 ZINC000840722717 630352556 /nfs/dbraw/zinc/35/25/56/630352556.db2.gz KHQOQGAHSIGKGP-LLVKDONJSA-N 0 3 308.476 3.119 20 10 DGCDHN CO[C@@H]1COC[C@@H]1N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000840824464 630362678 /nfs/dbraw/zinc/36/26/78/630362678.db2.gz NDDUKHJIOKNXHU-AYOQOUSVSA-N 0 3 318.461 3.131 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000840899141 630374518 /nfs/dbraw/zinc/37/45/18/630374518.db2.gz ZHXCXVGOKGNZED-RDJZCZTQSA-N 0 3 312.388 3.387 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC(OC3CCC3)CC2)c([O-])c1 ZINC000841888294 630473212 /nfs/dbraw/zinc/47/32/12/630473212.db2.gz HHPXDBLRZANMMJ-UHFFFAOYSA-N 0 3 305.418 3.324 20 10 DGCDHN Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000841897076 630474770 /nfs/dbraw/zinc/47/47/70/630474770.db2.gz TYMGXWPBQKZPNP-INIZCTEOSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000841897076 630474772 /nfs/dbraw/zinc/47/47/72/630474772.db2.gz TYMGXWPBQKZPNP-INIZCTEOSA-N 0 3 316.376 3.278 20 10 DGCDHN CC(=O)c1cc(F)cc(CN(C)C(C)(C)C[NH+]2CCCC2)c1[O-] ZINC000842171568 630501824 /nfs/dbraw/zinc/50/18/24/630501824.db2.gz OAGNBWIWVYTJLH-UHFFFAOYSA-N 0 3 322.424 3.040 20 10 DGCDHN CC(C)Cn1nccc1CNCc1ccc2c(c1)CCCN2C ZINC000842673987 630561774 /nfs/dbraw/zinc/56/17/74/630561774.db2.gz SNHJPTNMZOGMBS-UHFFFAOYSA-N 0 3 312.461 3.211 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000842726232 630568161 /nfs/dbraw/zinc/56/81/61/630568161.db2.gz DDNSJVNIXJRAEH-LBPRGKRZSA-N 0 3 317.410 3.044 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000842729141 630568674 /nfs/dbraw/zinc/56/86/74/630568674.db2.gz GZQYWHSPQPRTIT-CQSZACIVSA-N 0 3 301.411 3.425 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC000842891876 630590627 /nfs/dbraw/zinc/59/06/27/630590627.db2.gz XHLSJBCQZPOKNA-GFCCVEGCSA-N 0 3 319.307 3.491 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](CCO)c2ccccc2F)c1 ZINC000842922801 630593466 /nfs/dbraw/zinc/59/34/66/630593466.db2.gz DTEDZQMNRIIDEX-PXAZEXFGSA-N 0 3 319.376 3.314 20 10 DGCDHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000842929687 630595032 /nfs/dbraw/zinc/59/50/32/630595032.db2.gz RATPUXZZPKSVER-MGPQQGTHSA-N 0 3 324.852 3.005 20 10 DGCDHN CCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCNCC1 ZINC000843044933 630607621 /nfs/dbraw/zinc/60/76/21/630607621.db2.gz MOKLIOHLKOCADP-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN CCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCNCC1 ZINC000843044933 630607624 /nfs/dbraw/zinc/60/76/24/630607624.db2.gz MOKLIOHLKOCADP-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000843417080 630654137 /nfs/dbraw/zinc/65/41/37/630654137.db2.gz OWYDAMCQMQWXSM-RDJZCZTQSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000843417080 630654139 /nfs/dbraw/zinc/65/41/39/630654139.db2.gz OWYDAMCQMQWXSM-RDJZCZTQSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c([O-])c1 ZINC000843432384 630658409 /nfs/dbraw/zinc/65/84/09/630658409.db2.gz CKYPASRAQLECJN-GOSISDBHSA-N 0 3 319.445 3.234 20 10 DGCDHN C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)[C@H]1CC[NH3+] ZINC000844900686 630970323 /nfs/dbraw/zinc/97/03/23/630970323.db2.gz CQEYFWAGPMEDNQ-MFKMUULPSA-N 0 3 300.805 3.134 20 10 DGCDHN COc1ccc(F)c(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000845973281 631204283 /nfs/dbraw/zinc/20/42/83/631204283.db2.gz YEYXSJISHZMNAY-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN COCC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccco1 ZINC000846166493 631213243 /nfs/dbraw/zinc/21/32/43/631213243.db2.gz XWJFIUSIAHFIQQ-GXTWGEPZSA-N 0 3 305.374 3.422 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])c1[O-] ZINC000846226376 631215580 /nfs/dbraw/zinc/21/55/80/631215580.db2.gz LSUNYZQWXQGEQJ-BDJLRTHQSA-N 0 3 324.852 3.198 20 10 DGCDHN CCCC[N@H+](CCCc1cncn1C)Cc1ccccc1[O-] ZINC000846894140 631344208 /nfs/dbraw/zinc/34/42/08/631344208.db2.gz RIUYIVXPDOZUQB-UHFFFAOYSA-N 0 3 301.434 3.361 20 10 DGCDHN CCCC[N@@H+](CCCc1cncn1C)Cc1ccccc1[O-] ZINC000846894140 631344211 /nfs/dbraw/zinc/34/42/11/631344211.db2.gz RIUYIVXPDOZUQB-UHFFFAOYSA-N 0 3 301.434 3.361 20 10 DGCDHN CCc1cccc(CN(C)Cc2ccc(OC)c(O)c2)c1O ZINC000848882949 631769252 /nfs/dbraw/zinc/76/92/52/631769252.db2.gz DYFSWTVOQSQEEK-UHFFFAOYSA-N 0 3 301.386 3.301 20 10 DGCDHN CCc1cccc(CNCc2cccc(OC)c2OC)c1O ZINC000848894557 631775675 /nfs/dbraw/zinc/77/56/75/631775675.db2.gz NFJGQURPKLJKIR-UHFFFAOYSA-N 0 3 301.386 3.262 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1[O-] ZINC000848927797 631790794 /nfs/dbraw/zinc/79/07/94/631790794.db2.gz NUFZOEKVJKYSIN-CABCVRRESA-N 0 3 324.852 3.161 20 10 DGCDHN COc1cccc(O)c1CN1C[C@H](C)OC2(CCCCC2)C1 ZINC000848929762 631792447 /nfs/dbraw/zinc/79/24/47/631792447.db2.gz ZTLWMEBIJNFFSP-AWEZNQCLSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1cc(CNCc2cc(C)n[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850151450 632065874 /nfs/dbraw/zinc/06/58/74/632065874.db2.gz ZSDKMKYFKHIMCX-UHFFFAOYSA-N 0 3 303.406 3.020 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000850388279 632135946 /nfs/dbraw/zinc/13/59/46/632135946.db2.gz KQSZXONWBVNWOT-OALUTQOASA-N 0 3 309.409 3.452 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)NCc2cnc(C(F)(F)F)nc2)c1 ZINC000850485304 632167114 /nfs/dbraw/zinc/16/71/14/632167114.db2.gz DIHMSUITJIRFKN-SNVBAGLBSA-N 0 3 311.307 3.360 20 10 DGCDHN C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc(F)ccc1[O-] ZINC000850501986 632173435 /nfs/dbraw/zinc/17/34/35/632173435.db2.gz QUHGDFKEJAOBNK-ZDUSSCGKSA-N 0 3 315.392 3.377 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1[O-] ZINC000850520869 632178156 /nfs/dbraw/zinc/17/81/56/632178156.db2.gz HWRGGOMVHRMPGK-BXKDBHETSA-N 0 3 305.752 3.429 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(C)cc1[O-] ZINC000850563382 632195733 /nfs/dbraw/zinc/19/57/33/632195733.db2.gz XCJPOEAHLOGZEP-LPHOPBHVSA-N 0 3 321.461 3.309 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C)cc1[O-] ZINC000850563383 632195763 /nfs/dbraw/zinc/19/57/63/632195763.db2.gz XCJPOEAHLOGZEP-QFBILLFUSA-N 0 3 321.461 3.309 20 10 DGCDHN CC[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccccc1[O-] ZINC000850573055 632198573 /nfs/dbraw/zinc/19/85/73/632198573.db2.gz ISGZBUODQSCMEC-OAHLLOKOSA-N 0 3 304.434 3.259 20 10 DGCDHN Cc1ccc2c(CN(C)Cc3ccccc3O)cc(=O)oc2c1 ZINC000109768843 632316524 /nfs/dbraw/zinc/31/65/24/632316524.db2.gz YXMDOBWXGNIOLL-UHFFFAOYSA-N 0 3 309.365 3.439 20 10 DGCDHN Cc1ccc2c(C[N@H+](C)Cc3ccccc3[O-])cc(=O)oc2c1 ZINC000109768843 632316527 /nfs/dbraw/zinc/31/65/27/632316527.db2.gz YXMDOBWXGNIOLL-UHFFFAOYSA-N 0 3 309.365 3.439 20 10 DGCDHN Cc1ccc2c(C[N@@H+](C)Cc3ccccc3[O-])cc(=O)oc2c1 ZINC000109768843 632316536 /nfs/dbraw/zinc/31/65/36/632316536.db2.gz YXMDOBWXGNIOLL-UHFFFAOYSA-N 0 3 309.365 3.439 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000185353883 660218346 /nfs/dbraw/zinc/21/83/46/660218346.db2.gz LVYOHRIPLRLYPF-CQSZACIVSA-N 0 3 308.385 3.132 20 10 DGCDHN CCO[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000701661682 660677742 /nfs/dbraw/zinc/67/77/42/660677742.db2.gz OYCVQCVZRCVHGP-ZDUSSCGKSA-N 0 3 314.223 3.074 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(SC)c(OC)c2)c([O-])c1 ZINC000793385596 661028891 /nfs/dbraw/zinc/02/88/91/661028891.db2.gz CLZZOINSGOUGQS-UHFFFAOYSA-N 0 3 319.426 3.421 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccnn2-c2ccccc2C)c([O-])c1 ZINC000793388131 661029281 /nfs/dbraw/zinc/02/92/81/661029281.db2.gz MSIRKONJIADAME-UHFFFAOYSA-N 0 3 323.396 3.185 20 10 DGCDHN CC[C@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccc(C)cc1[O-] ZINC000794810878 661106586 /nfs/dbraw/zinc/10/65/86/661106586.db2.gz NDAMLLFRJKRHRR-WMZOPIPTSA-N 0 3 318.461 3.388 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794810547 661106632 /nfs/dbraw/zinc/10/66/32/661106632.db2.gz LUVWSAZWJZNEKO-PBHICJAKSA-N 0 3 303.402 3.186 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794810549 661106654 /nfs/dbraw/zinc/10/66/54/661106654.db2.gz LUVWSAZWJZNEKO-RHSMWYFYSA-N 0 3 303.402 3.186 20 10 DGCDHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1Cc1ccccc1 ZINC000309849990 655885272 /nfs/dbraw/zinc/88/52/72/655885272.db2.gz ZTJAVIMYEJJSHB-RDTXWAMCSA-N 0 3 314.404 3.284 20 10 DGCDHN C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cc(F)ccc1[O-] ZINC000176980616 655885532 /nfs/dbraw/zinc/88/55/32/655885532.db2.gz XZXDLEGXZSFYGM-LBPRGKRZSA-N 0 3 317.360 3.196 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000716181095 661219669 /nfs/dbraw/zinc/21/96/69/661219669.db2.gz XSBMPXXFEYFZSO-RHSMWYFYSA-N 0 3 314.404 3.456 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(F)ccc1O ZINC000180218040 656091622 /nfs/dbraw/zinc/09/16/22/656091622.db2.gz QRXSHMWOIAZCMZ-AWEZNQCLSA-N 0 3 324.396 3.020 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180218040 656091624 /nfs/dbraw/zinc/09/16/24/656091624.db2.gz QRXSHMWOIAZCMZ-AWEZNQCLSA-N 0 3 324.396 3.020 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180218040 656091626 /nfs/dbraw/zinc/09/16/26/656091626.db2.gz QRXSHMWOIAZCMZ-AWEZNQCLSA-N 0 3 324.396 3.020 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000185469068 656126896 /nfs/dbraw/zinc/12/68/96/656126896.db2.gz MMCDUNGKCRKZNA-DINDLPBHSA-N 0 3 307.340 3.443 20 10 DGCDHN COc1cc(Cl)cc(CNCc2ccc(C)c(C)n2)c1O ZINC000313913486 656340432 /nfs/dbraw/zinc/34/04/32/656340432.db2.gz JDPLNVSRTBTRDN-UHFFFAOYSA-N 0 3 306.793 3.356 20 10 DGCDHN C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000185111607 656427302 /nfs/dbraw/zinc/42/73/02/656427302.db2.gz JFPWDJARXYHLCA-CQSZACIVSA-N 0 3 302.393 3.314 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000724925217 656530436 /nfs/dbraw/zinc/53/04/36/656530436.db2.gz JUODFVNZULHSHF-YPMHNXCESA-N 0 3 324.396 3.191 20 10 DGCDHN C[C@@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000224495803 659019900 /nfs/dbraw/zinc/01/99/00/659019900.db2.gz BDHMMJPLPINFCF-CYBMUJFWSA-N 0 3 319.449 3.023 20 10 DGCDHN CCOc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1 ZINC000157533150 659065746 /nfs/dbraw/zinc/06/57/46/659065746.db2.gz BBRAOGWAPABVFZ-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN Cc1cc(O)c(CN2CCN(C)C[C@@H]2c2ccccc2)cc1C ZINC000059579606 659146775 /nfs/dbraw/zinc/14/67/75/659146775.db2.gz UMCKNEGCURXBMK-LJQANCHMSA-N 0 3 310.441 3.498 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2Cc3ccccc32)c1[O-] ZINC000228673376 659202277 /nfs/dbraw/zinc/20/22/77/659202277.db2.gz GIJZTJDZPUWVND-LBPRGKRZSA-N 0 3 303.789 3.484 20 10 DGCDHN CCCN(CC(=O)NCCC(C)(C)C)Cc1ccccc1O ZINC000075829112 659928578 /nfs/dbraw/zinc/92/85/78/659928578.db2.gz PWRHYMAAABMYQT-UHFFFAOYSA-N 0 3 306.450 3.157 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000179555048 659933438 /nfs/dbraw/zinc/93/34/38/659933438.db2.gz ZTGZPPOHGIBBKG-UHFFFAOYSA-N 0 3 314.404 3.239 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000179555048 659933440 /nfs/dbraw/zinc/93/34/40/659933440.db2.gz ZTGZPPOHGIBBKG-UHFFFAOYSA-N 0 3 314.404 3.239 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cnn(-c3ccccc3)c2)c1 ZINC000182461770 660054407 /nfs/dbraw/zinc/05/44/07/660054407.db2.gz QWSLVNXSXDNNKA-CQSZACIVSA-N 0 3 323.396 3.437 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCCC(C)C ZINC000076074109 660086825 /nfs/dbraw/zinc/08/68/25/660086825.db2.gz PBBOXHAYCHEHCX-HNNXBMFYSA-N 0 3 306.450 3.155 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCCC(C)C ZINC000076074109 660086826 /nfs/dbraw/zinc/08/68/26/660086826.db2.gz PBBOXHAYCHEHCX-HNNXBMFYSA-N 0 3 306.450 3.155 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ccccc1[O-] ZINC000183455745 660113679 /nfs/dbraw/zinc/11/36/79/660113679.db2.gz NVHOTRRHDOFQAY-JKSUJKDBSA-N 0 3 310.441 3.490 20 10 DGCDHN C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000183485847 660117943 /nfs/dbraw/zinc/11/79/43/660117943.db2.gz ODDNMJLNILFHCZ-ZDUSSCGKSA-N 0 3 320.433 3.442 20 10 DGCDHN CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000188351577 661927084 /nfs/dbraw/zinc/92/70/84/661927084.db2.gz WBFMUXMQPPTXKT-UHFFFAOYSA-N 0 3 314.385 3.192 20 10 DGCDHN CC[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000091929317 662324728 /nfs/dbraw/zinc/32/47/28/662324728.db2.gz AMKQKBVACASZFX-SNVBAGLBSA-N 0 3 314.223 3.395 20 10 DGCDHN CC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000091929317 662324731 /nfs/dbraw/zinc/32/47/31/662324731.db2.gz AMKQKBVACASZFX-SNVBAGLBSA-N 0 3 314.223 3.395 20 10 DGCDHN COCCOc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000091956590 662325079 /nfs/dbraw/zinc/32/50/79/662325079.db2.gz CHIXLBONQRRXDF-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN COCCOc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000091956590 662325083 /nfs/dbraw/zinc/32/50/83/662325083.db2.gz CHIXLBONQRRXDF-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN CCOc1cccc(CN2CCc3ccc(OC)cc3C2)c1O ZINC000092507674 662332440 /nfs/dbraw/zinc/33/24/40/662332440.db2.gz LXMFGLCBLVMJAA-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN CCN(Cc1ccoc1)Cc1ccc(N2CCOCC2)cc1 ZINC000092935856 662339610 /nfs/dbraw/zinc/33/96/10/662339610.db2.gz JQWOWJZWABBYCB-UHFFFAOYSA-N 0 3 300.402 3.138 20 10 DGCDHN Cc1ccc(O)c(CN2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000093638359 662357497 /nfs/dbraw/zinc/35/74/97/662357497.db2.gz SFHKFGHQSDLPBZ-HXUWFJFHSA-N 0 3 309.409 3.375 20 10 DGCDHN CN(CCC[NH2+][C@H]1CCc2cccc([O-])c21)C(=O)OC(C)(C)C ZINC000381773583 685160087 /nfs/dbraw/zinc/16/00/87/685160087.db2.gz UVQDKOLNMMMCPP-AWEZNQCLSA-N 0 3 320.433 3.226 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000382452245 685163339 /nfs/dbraw/zinc/16/33/39/685163339.db2.gz GIPKYDQFHHVTMQ-UKRRQHHQSA-N 0 3 320.433 3.175 20 10 DGCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N(C)Cc1ccccc1 ZINC000390563190 685202899 /nfs/dbraw/zinc/20/28/99/685202899.db2.gz NOAYFQGKWSPEIF-MAUKXSAKSA-N 0 3 310.441 3.490 20 10 DGCDHN CN(C(=O)c1cccc2c1CCNC2)c1cccc2cccnc21 ZINC001578391669 1191941182 /nfs/dbraw/zinc/94/11/82/1191941182.db2.gz HUJZMOSYITZJNU-UHFFFAOYSA-N 0 3 317.392 3.157 20 10 DGCDHN Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(F)ccc3[O-])C2)cc1 ZINC001334383763 1178756204 /nfs/dbraw/zinc/75/62/04/1178756204.db2.gz IFJXVCJHRGTBNX-MRXNPFEDSA-N 0 3 314.360 3.123 20 10 DGCDHN CCN(CC)c1ccc(CN(C)C[C@H]2COC(C)(C)O2)cc1 ZINC001462007556 1182895521 /nfs/dbraw/zinc/89/55/21/1182895521.db2.gz GMKSVZSLMADBOO-KRWDZBQOSA-N 0 3 306.450 3.116 20 10 DGCDHN C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccccc1[O-] ZINC001473723392 1183793470 /nfs/dbraw/zinc/79/34/70/1183793470.db2.gz FACATHCRZARGQC-LBPRGKRZSA-N 0 3 302.349 3.211 20 10 DGCDHN C[C@H](NCc1ccc(Br)cn1)c1ccccc1O ZINC001474253884 1183890634 /nfs/dbraw/zinc/89/06/34/1183890634.db2.gz YCXFHNNIMHQECX-JTQLQIEISA-N 0 3 307.191 3.401 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001474313873 1183902499 /nfs/dbraw/zinc/90/24/99/1183902499.db2.gz GNSSRVJJPLZXSI-CQSZACIVSA-N 0 3 308.853 3.353 20 10 DGCDHN C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001474348766 1183907632 /nfs/dbraw/zinc/90/76/32/1183907632.db2.gz LCHBWOKKQWLMML-CQSZACIVSA-N 0 3 308.853 3.209 20 10 DGCDHN C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001474348766 1183907635 /nfs/dbraw/zinc/90/76/35/1183907635.db2.gz LCHBWOKKQWLMML-CQSZACIVSA-N 0 3 308.853 3.209 20 10 DGCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC001474451630 1183924851 /nfs/dbraw/zinc/92/48/51/1183924851.db2.gz ACKWBQIZVQHYIN-HOCLYGCPSA-N 0 3 320.433 3.047 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H]2COc3c(C)cccc3C2)c([O-])c1 ZINC001474560077 1183941153 /nfs/dbraw/zinc/94/11/53/1183941153.db2.gz FZQXLPKUJHCXDD-HNNXBMFYSA-N 0 3 313.397 3.111 20 10 DGCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C ZINC001537484509 1188078233 /nfs/dbraw/zinc/07/82/33/1188078233.db2.gz WXPKUGSCNQOJDN-RHSMWYFYSA-N 0 3 319.493 3.154 20 10 DGCDHN CCC[C@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539707382 1188199968 /nfs/dbraw/zinc/19/99/68/1188199968.db2.gz RCXHWQOUAIWBBG-YJBOKZPZSA-N 0 3 319.493 3.298 20 10 DGCDHN CC(C)CC[C@@](C)(O)CNCc1cc(F)c(N(C)C)cc1F ZINC001560344415 1189315009 /nfs/dbraw/zinc/31/50/09/1189315009.db2.gz XIBBOJXAINJJGS-QGZVFWFLSA-N 0 3 314.420 3.308 20 10 DGCDHN CC(=O)Nc1ccc(CNCc2c(C)c3ccccc3n2C)cn1 ZINC001560456194 1189330563 /nfs/dbraw/zinc/33/05/63/1189330563.db2.gz MYNJVCIJCAOZED-UHFFFAOYSA-N 0 3 322.412 3.130 20 10 DGCDHN COC(=O)c1c(CN(C)C2CCC2)c2cc(F)ccc2n1C ZINC001560672727 1189358283 /nfs/dbraw/zinc/35/82/83/1189358283.db2.gz QMCLZVLDPYRBBT-UHFFFAOYSA-N 0 3 304.365 3.088 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001560954095 1189410473 /nfs/dbraw/zinc/41/04/73/1189410473.db2.gz GOJYHGZGBMGGSG-VIFPVBQESA-N 0 3 302.305 3.229 20 10 DGCDHN O=[N+]([O-])c1ccc(C[NH2+]Cc2c([O-])cccc2F)c(Cl)c1 ZINC001561015850 1189420483 /nfs/dbraw/zinc/42/04/83/1189420483.db2.gz IPCUEDGTIFDGOV-UHFFFAOYSA-N 0 3 310.712 3.383 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c([O-])c1 ZINC001561042500 1189425853 /nfs/dbraw/zinc/42/58/53/1189425853.db2.gz CDJHTBUBEYVTOB-CVEARBPZSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c([O-])c1 ZINC001561042500 1189425854 /nfs/dbraw/zinc/42/58/54/1189425854.db2.gz CDJHTBUBEYVTOB-CVEARBPZSA-N 0 3 319.445 3.348 20 10 DGCDHN C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1[O-] ZINC001620504935 1193773046 /nfs/dbraw/zinc/77/30/46/1193773046.db2.gz HTUZEZLTMDQTBJ-NSHDSACASA-N 0 3 320.339 3.350 20 10 DGCDHN COCCN(Cc1cc(F)c(N(C)C)cc1F)CC(C)C ZINC001621128726 1193805726 /nfs/dbraw/zinc/80/57/26/1193805726.db2.gz OBLSZPQMOBCEKM-UHFFFAOYSA-N 0 3 300.393 3.135 20 10 DGCDHN COc1ccc(N2CCN(CC3(C)CCCC3)CC2)c(OC)c1 ZINC001621487735 1193849566 /nfs/dbraw/zinc/84/95/66/1193849566.db2.gz HBBIADSYHFWIND-UHFFFAOYSA-N 0 3 318.461 3.406 20 10 DGCDHN COC[C@H](NCc1cc(OC)ccc1O)c1ccc(F)cc1 ZINC001621561916 1193858900 /nfs/dbraw/zinc/85/89/00/1193858900.db2.gz GZAHQLAYRWRUKV-INIZCTEOSA-N 0 3 305.349 3.017 20 10 DGCDHN Nc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000037296185 1193926027 /nfs/dbraw/zinc/92/60/27/1193926027.db2.gz BZRVKQZRXWJOPF-UHFFFAOYSA-N 0 3 301.821 3.244 20 10 DGCDHN CC(C)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001627464607 1194130452 /nfs/dbraw/zinc/13/04/52/1194130452.db2.gz OXRRMRDLUWHLRG-SFHVURJKSA-N 0 3 319.493 3.298 20 10 DGCDHN CCCC[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001627464616 1194130524 /nfs/dbraw/zinc/13/05/24/1194130524.db2.gz PCVZWPLLLMKOJS-CRAIPNDOSA-N 0 3 319.493 3.298 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001641902228 1194877956 /nfs/dbraw/zinc/87/79/56/1194877956.db2.gz KJIDDQHRPPSZIJ-MJGOQNOKSA-N 0 3 319.445 3.332 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001641902228 1194877958 /nfs/dbraw/zinc/87/79/58/1194877958.db2.gz KJIDDQHRPPSZIJ-MJGOQNOKSA-N 0 3 319.445 3.332 20 10 DGCDHN CCN(C)c1ccc(CN(C)CCNC(=O)OC(C)(C)C)cc1 ZINC001643333049 1195016029 /nfs/dbraw/zinc/01/60/29/1195016029.db2.gz WAXKWRVNHFMGIN-UHFFFAOYSA-N 0 3 321.465 3.099 20 10 DGCDHN Cc1ccc(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)c([O-])c1 ZINC001652754000 1195647944 /nfs/dbraw/zinc/64/79/44/1195647944.db2.gz FBPFFARWEUWAKI-HXUWFJFHSA-N 0 3 310.441 3.455 20 10 DGCDHN COC(C)(C)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001652986679 1195678401 /nfs/dbraw/zinc/67/84/01/1195678401.db2.gz LFZCBUGWTCZENO-UHFFFAOYSA-N 0 3 316.239 3.368 20 10 DGCDHN CCCOc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1C ZINC001655939910 1195980195 /nfs/dbraw/zinc/98/01/95/1195980195.db2.gz IGDPZYALOAEIEB-CQSZACIVSA-N 0 3 305.340 3.187 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@H]2COc3ccccc3C2)cc1F ZINC001657172154 1196114755 /nfs/dbraw/zinc/11/47/55/1196114755.db2.gz FWZMWXCJNPWLMZ-CQSZACIVSA-N 0 3 318.367 3.124 20 10 DGCDHN COc1cc(C)c(CN[C@H]2C[C@@]2(F)c2ccccc2)c(O)c1 ZINC001658402312 1196252024 /nfs/dbraw/zinc/25/20/24/1196252024.db2.gz CYRNSODCTYOGIV-ZWKOTPCHSA-N 0 3 301.361 3.436 20 10 DGCDHN COc1ccccc1OCC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC001658549047 1196271554 /nfs/dbraw/zinc/27/15/54/1196271554.db2.gz BRFAWTFTRYWYIY-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1ccccc1OCC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC001658549047 1196271557 /nfs/dbraw/zinc/27/15/57/1196271557.db2.gz BRFAWTFTRYWYIY-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)c([O-])c1 ZINC001658797046 1196302910 /nfs/dbraw/zinc/30/29/10/1196302910.db2.gz IRMVSBNHVRUZLV-GFCCVEGCSA-N 0 3 304.415 3.155 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3nccs3)C2)c([O-])c1 ZINC001658797046 1196302917 /nfs/dbraw/zinc/30/29/17/1196302917.db2.gz IRMVSBNHVRUZLV-GFCCVEGCSA-N 0 3 304.415 3.155 20 10 DGCDHN C[N@H+](CCN1CCCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC001659559938 1196395072 /nfs/dbraw/zinc/39/50/72/1196395072.db2.gz BWOVTJZJIMQKDI-UHFFFAOYSA-N 0 3 300.805 3.102 20 10 DGCDHN C[N@@H+](CCN1CCCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC001659559938 1196395074 /nfs/dbraw/zinc/39/50/74/1196395074.db2.gz BWOVTJZJIMQKDI-UHFFFAOYSA-N 0 3 300.805 3.102 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cc(F)ccc1F ZINC001659815503 1196417317 /nfs/dbraw/zinc/41/73/17/1196417317.db2.gz LCMVRVLTQCLJGL-WDEREUQCSA-N 0 3 320.339 3.348 20 10 DGCDHN CCOc1ccc(CC[NH2+]Cc2c(C)cc(OC)cc2[O-])cc1 ZINC001665832701 1197204182 /nfs/dbraw/zinc/20/41/82/1197204182.db2.gz ZWPNJKBBDAQFKP-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN CC(C)C1(O)CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001665901105 1197213700 /nfs/dbraw/zinc/21/37/00/1197213700.db2.gz MWVFJJAPSYNABG-AATRIKPKSA-N 0 3 302.462 3.249 20 10 DGCDHN C[C@H](NCc1ccccc1O)c1ccc(Br)cn1 ZINC000695250266 1083246960 /nfs/dbraw/zinc/24/69/60/1083246960.db2.gz QLYFSLLSQDRPRK-JTQLQIEISA-N 0 3 307.191 3.401 20 10 DGCDHN CCC(O)(CC)C(C)(C)C[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001182874412 1083826688 /nfs/dbraw/zinc/82/66/88/1083826688.db2.gz RCENMHHQEDYNHK-UHFFFAOYSA-N 0 3 309.450 3.376 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC001183155587 1083880739 /nfs/dbraw/zinc/88/07/39/1083880739.db2.gz HXCJPPBDPUZCIM-HNNXBMFYSA-N 0 3 313.397 3.404 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC001183155587 1083880754 /nfs/dbraw/zinc/88/07/54/1083880754.db2.gz HXCJPPBDPUZCIM-HNNXBMFYSA-N 0 3 313.397 3.404 20 10 DGCDHN CCCOc1ccc(CN[C@@H]2C(=O)NCC2(CC)CC)cc1C ZINC001183981613 1084079916 /nfs/dbraw/zinc/07/99/16/1084079916.db2.gz OVMPQJWWDLHAIZ-QGZVFWFLSA-N 0 3 318.461 3.178 20 10 DGCDHN C[C@]1([NH3+])CCCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205288336 1084088976 /nfs/dbraw/zinc/08/89/76/1084088976.db2.gz IVQRLNLSUQENJE-AWEZNQCLSA-N 0 3 303.233 3.402 20 10 DGCDHN CN1CC2(C1)CC[NH+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203582013 1084093357 /nfs/dbraw/zinc/09/33/57/1084093357.db2.gz MLQKRSCMOIIMGO-UHFFFAOYSA-N 0 3 315.244 3.227 20 10 DGCDHN COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142509137 1087274882 /nfs/dbraw/zinc/27/48/82/1087274882.db2.gz YGNOEAXGDHLTNS-UHFFFAOYSA-N 0 3 305.324 3.237 20 10 DGCDHN COc1ccc2c(c1)CC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142509137 1087274886 /nfs/dbraw/zinc/27/48/86/1087274886.db2.gz YGNOEAXGDHLTNS-UHFFFAOYSA-N 0 3 305.324 3.237 20 10 DGCDHN CC(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272619787 1088328222 /nfs/dbraw/zinc/32/82/22/1088328222.db2.gz ZHJDZELRYAGRIR-LJQANCHMSA-N 0 3 316.445 3.005 20 10 DGCDHN CC(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272619787 1088328241 /nfs/dbraw/zinc/32/82/41/1088328241.db2.gz ZHJDZELRYAGRIR-LJQANCHMSA-N 0 3 316.445 3.005 20 10 DGCDHN CCN(Cc1ccccc1O)c1cc(N2CCCC2)nc(C)n1 ZINC001154889773 1088814558 /nfs/dbraw/zinc/81/45/58/1088814558.db2.gz GYDMWWPFKYIBJP-UHFFFAOYSA-N 0 3 312.417 3.117 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550075 1090585069 /nfs/dbraw/zinc/58/50/69/1090585069.db2.gz GTXHHJNFUTWYES-OAHLLOKOSA-N 0 3 320.433 3.271 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550075 1090585079 /nfs/dbraw/zinc/58/50/79/1090585079.db2.gz GTXHHJNFUTWYES-OAHLLOKOSA-N 0 3 320.433 3.271 20 10 DGCDHN COc1ccccc1-n1nccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC001203536239 1090750417 /nfs/dbraw/zinc/75/04/17/1090750417.db2.gz KHKBARXDALDDIS-CQSZACIVSA-N 0 3 323.396 3.437 20 10 DGCDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[O-] ZINC001203550141 1090753287 /nfs/dbraw/zinc/75/32/87/1090753287.db2.gz JPOWJZZZMRGISB-CQSZACIVSA-N 0 3 320.433 3.224 20 10 DGCDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[O-] ZINC001203550141 1090753290 /nfs/dbraw/zinc/75/32/90/1090753290.db2.gz JPOWJZZZMRGISB-CQSZACIVSA-N 0 3 320.433 3.224 20 10 DGCDHN C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC001203555705 1090753883 /nfs/dbraw/zinc/75/38/83/1090753883.db2.gz CQFIGTMSOJSVEL-DZGCQCFKSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC001203555705 1090753889 /nfs/dbraw/zinc/75/38/89/1090753889.db2.gz CQFIGTMSOJSVEL-DZGCQCFKSA-N 0 3 320.433 3.270 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001203552691 1090754823 /nfs/dbraw/zinc/75/48/23/1090754823.db2.gz QMVQEPNUFOVQJI-XLIONFOSSA-N 0 3 324.424 3.468 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001203552691 1090754825 /nfs/dbraw/zinc/75/48/25/1090754825.db2.gz QMVQEPNUFOVQJI-XLIONFOSSA-N 0 3 324.424 3.468 20 10 DGCDHN O=C1OC2(CC[NH+](Cc3ccccc3[O-])CC2)c2ccccc21 ZINC001203556465 1090755167 /nfs/dbraw/zinc/75/51/67/1090755167.db2.gz QRSNXWADLLSBNQ-UHFFFAOYSA-N 0 3 309.365 3.054 20 10 DGCDHN CCCc1noc(C2CC[NH+](Cc3ccccc3[O-])CC2)n1 ZINC001203558614 1090755497 /nfs/dbraw/zinc/75/54/97/1090755497.db2.gz PRBIVINOMHSJML-UHFFFAOYSA-N 0 3 301.390 3.107 20 10 DGCDHN COc1cccc(CCC[N@H+](C)Cc2ccc(OC)cc2[O-])c1 ZINC001203629368 1090769238 /nfs/dbraw/zinc/76/92/38/1090769238.db2.gz YFOMBBLNEKURGZ-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COc1cccc(CCC[N@@H+](C)Cc2ccc(OC)cc2[O-])c1 ZINC001203629368 1090769242 /nfs/dbraw/zinc/76/92/42/1090769242.db2.gz YFOMBBLNEKURGZ-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001203665505 1090776402 /nfs/dbraw/zinc/77/64/02/1090776402.db2.gz MVIYCRKAYCEKIQ-LSDHHAIUSA-N 0 3 312.816 3.054 20 10 DGCDHN CN(C)c1ccc(CN2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC001203933582 1090842300 /nfs/dbraw/zinc/84/23/00/1090842300.db2.gz ALQQISSBBNEEHM-FQEVSTJZSA-N 0 3 309.457 3.241 20 10 DGCDHN CN(C)c1ccc(CN2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC001203933583 1090842690 /nfs/dbraw/zinc/84/26/90/1090842690.db2.gz ALQQISSBBNEEHM-HXUWFJFHSA-N 0 3 309.457 3.241 20 10 DGCDHN CN(C)c1ccc(CN2CCN(CCc3ccccc3)CC2)cc1 ZINC001203934394 1090843066 /nfs/dbraw/zinc/84/30/66/1090843066.db2.gz TZCHXYGRFNEMJD-UHFFFAOYSA-N 0 3 323.484 3.113 20 10 DGCDHN Oc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c1 ZINC001204273744 1090938023 /nfs/dbraw/zinc/93/80/23/1090938023.db2.gz SWENVVKCBYLUNR-UHFFFAOYSA-N 0 3 318.804 3.073 20 10 DGCDHN CC(C)(C)OC(=O)CC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204279941 1090939340 /nfs/dbraw/zinc/93/93/40/1090939340.db2.gz FUIFBVFFPHWKDF-UHFFFAOYSA-N 0 3 321.417 3.042 20 10 DGCDHN CC[C@H](C)[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC001205101413 1091102134 /nfs/dbraw/zinc/10/21/34/1091102134.db2.gz SBSKIDZNEJTXHK-KVSKMBFKSA-N 0 3 321.461 3.434 20 10 DGCDHN CC[C@H](C)[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC001205101413 1091102138 /nfs/dbraw/zinc/10/21/38/1091102138.db2.gz SBSKIDZNEJTXHK-KVSKMBFKSA-N 0 3 321.461 3.434 20 10 DGCDHN C[C@]1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCCO1 ZINC001205101922 1091102641 /nfs/dbraw/zinc/10/26/41/1091102641.db2.gz YOHVOEMNGXQVSA-PKOBYXMFSA-N 0 3 319.445 3.332 20 10 DGCDHN C[C@]1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCCO1 ZINC001205101922 1091102642 /nfs/dbraw/zinc/10/26/42/1091102642.db2.gz YOHVOEMNGXQVSA-PKOBYXMFSA-N 0 3 319.445 3.332 20 10 DGCDHN CN1CCCc2cc(CN3CCc4cc(CO)ccc4C3)ccc21 ZINC001138354411 1091150755 /nfs/dbraw/zinc/15/07/55/1091150755.db2.gz IOIIASHDJMBYAH-UHFFFAOYSA-N 0 3 322.452 3.120 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@@]23CCOC3)c(OC)c1 ZINC001138390343 1091165319 /nfs/dbraw/zinc/16/53/19/1091165319.db2.gz RYJGFWZLMQJPOF-IBGZPJMESA-N 0 3 318.461 3.296 20 10 DGCDHN [NH3+][C@H]1CN(Cc2cccc(-c3ccccc3)c2[O-])CC(F)(F)C1 ZINC001206138507 1091506629 /nfs/dbraw/zinc/50/66/29/1091506629.db2.gz CMCAZPVGUPDKLK-OAHLLOKOSA-N 0 3 318.367 3.228 20 10 DGCDHN C[C@]1(C[NH3+])CCCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001206575203 1091674894 /nfs/dbraw/zinc/67/48/94/1091674894.db2.gz UZVPXVBCFAYNJP-OAHLLOKOSA-N 0 3 300.805 3.136 20 10 DGCDHN CC(C)OCC[NH+](CCOC(C)C)Cc1cc(F)ccc1[O-] ZINC001140055808 1091751356 /nfs/dbraw/zinc/75/13/56/1091751356.db2.gz WFBRYFLJRCRKPU-UHFFFAOYSA-N 0 3 313.413 3.183 20 10 DGCDHN C[C@H]1CN(Cc2ccccc2)CCN1Cc1cc(F)ccc1O ZINC001140055137 1091751732 /nfs/dbraw/zinc/75/17/32/1091751732.db2.gz LBIWOXQXMBRWTI-HNNXBMFYSA-N 0 3 314.404 3.238 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001140056056 1091751867 /nfs/dbraw/zinc/75/18/67/1091751867.db2.gz GLVLHWFRBULIJL-HOTGVXAUSA-N 0 3 312.388 3.100 20 10 DGCDHN Cc1cccnc1OC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140056033 1091752141 /nfs/dbraw/zinc/75/21/41/1091752141.db2.gz FCOQBCVJGAVCFN-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN CN(Cc1ccc(OC(F)F)c(O)c1)Cc1ccccc1O ZINC001140630192 1091938122 /nfs/dbraw/zinc/93/81/22/1091938122.db2.gz LZJOYXAWRUGDKI-UHFFFAOYSA-N 0 3 309.312 3.331 20 10 DGCDHN Cc1c(O)ccc(CN2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001140751258 1091984608 /nfs/dbraw/zinc/98/46/08/1091984608.db2.gz PACUNDBQEQVUFA-CYBMUJFWSA-N 0 3 303.402 3.130 20 10 DGCDHN CCN(CC)c1ccc(CN2CCCC[C@H]2C(C)=O)c(O)c1 ZINC001140855774 1092031841 /nfs/dbraw/zinc/03/18/41/1092031841.db2.gz JYSLMDJVAFTDDQ-KRWDZBQOSA-N 0 3 304.434 3.182 20 10 DGCDHN CN(C)c1ccc(CN(C)CCc2ccncc2)c(Cl)c1 ZINC001140923776 1092064736 /nfs/dbraw/zinc/06/47/36/1092064736.db2.gz INTHTMKJGXMZBH-UHFFFAOYSA-N 0 3 303.837 3.476 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(COc3cccnc3)CC2)c([O-])c1 ZINC001140948125 1092076149 /nfs/dbraw/zinc/07/61/49/1092076149.db2.gz ULFYNMWPIALQDP-UHFFFAOYSA-N 0 3 312.413 3.387 20 10 DGCDHN CC[C@@H]1[N@H+](Cc2ccc(C)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001140950430 1092077573 /nfs/dbraw/zinc/07/75/73/1092077573.db2.gz SYISAULHWCVOJK-HKUYNNGSSA-N 0 3 316.445 3.066 20 10 DGCDHN CC[C@@H]1[N@@H+](Cc2ccc(C)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001140950430 1092077581 /nfs/dbraw/zinc/07/75/81/1092077581.db2.gz SYISAULHWCVOJK-HKUYNNGSSA-N 0 3 316.445 3.066 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc(C)cc2O)c(OC)c1 ZINC001140950884 1092077983 /nfs/dbraw/zinc/07/79/83/1092077983.db2.gz MZDUEJNLLIHYJI-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001140954225 1092079897 /nfs/dbraw/zinc/07/98/97/1092079897.db2.gz NNXJOHPWADMSPU-KRWDZBQOSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001140954225 1092079904 /nfs/dbraw/zinc/07/99/04/1092079904.db2.gz NNXJOHPWADMSPU-KRWDZBQOSA-N 0 3 312.413 3.447 20 10 DGCDHN CCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC001140957525 1092080373 /nfs/dbraw/zinc/08/03/73/1092080373.db2.gz CMJCWHUXIRGBFL-OAHLLOKOSA-N 0 3 315.417 3.416 20 10 DGCDHN CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC001140957525 1092080382 /nfs/dbraw/zinc/08/03/82/1092080382.db2.gz CMJCWHUXIRGBFL-OAHLLOKOSA-N 0 3 315.417 3.416 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])CC1CN(C(=O)OC(C)(C)C)C1 ZINC001208623949 1092434666 /nfs/dbraw/zinc/43/46/66/1092434666.db2.gz XIKJNJHLJXPKAI-UHFFFAOYSA-N 0 3 320.433 3.081 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])CC1CN(C(=O)OC(C)(C)C)C1 ZINC001208623949 1092434673 /nfs/dbraw/zinc/43/46/73/1092434673.db2.gz XIKJNJHLJXPKAI-UHFFFAOYSA-N 0 3 320.433 3.081 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1COC2(CCCCC2)O1 ZINC001208641906 1092439106 /nfs/dbraw/zinc/43/91/06/1092439106.db2.gz PJIJGTVZUUTLBR-INIZCTEOSA-N 0 3 305.418 3.290 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1COC2(CCCCC2)O1 ZINC001208641906 1092439109 /nfs/dbraw/zinc/43/91/09/1092439109.db2.gz PJIJGTVZUUTLBR-INIZCTEOSA-N 0 3 305.418 3.290 20 10 DGCDHN CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)Cc1ccccc1[O-] ZINC001209716873 1092891494 /nfs/dbraw/zinc/89/14/94/1092891494.db2.gz OCNUSQDOEOOGQA-UHFFFAOYSA-N 0 3 315.369 3.152 20 10 DGCDHN CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)Cc1ccccc1[O-] ZINC001209716873 1092891500 /nfs/dbraw/zinc/89/15/00/1092891500.db2.gz OCNUSQDOEOOGQA-UHFFFAOYSA-N 0 3 315.369 3.152 20 10 DGCDHN CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1[O-] ZINC000179328057 1093782776 /nfs/dbraw/zinc/78/27/76/1093782776.db2.gz PEXINRWTYROFAU-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1[O-] ZINC000179328057 1093782785 /nfs/dbraw/zinc/78/27/85/1093782785.db2.gz PEXINRWTYROFAU-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000401529218 1093953501 /nfs/dbraw/zinc/95/35/01/1093953501.db2.gz PIYJCAFAIDEBDZ-HNNXBMFYSA-N 0 3 320.433 3.270 20 10 DGCDHN [O-]c1c(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc(F)c1F ZINC001222166705 1095471465 /nfs/dbraw/zinc/47/14/65/1095471465.db2.gz CHMPGMJWZIXOTQ-SFHVURJKSA-N 0 3 324.415 3.416 20 10 DGCDHN [O-]c1c(CN2CC[C@]3(CCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222476635 1095633483 /nfs/dbraw/zinc/63/34/83/1095633483.db2.gz AWFRWHWRGSDKJT-HXUWFJFHSA-N 0 3 308.425 3.387 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+]2CC[C@@H](C)C2)c1[O-] ZINC001231550224 1097778095 /nfs/dbraw/zinc/77/80/95/1097778095.db2.gz KRWJZKBWTKULTA-SECBINFHSA-N 0 3 300.196 3.005 20 10 DGCDHN COc1ccc(Br)c(C[N@H+]2CC[C@@H](C)C2)c1[O-] ZINC001231550224 1097778100 /nfs/dbraw/zinc/77/81/00/1097778100.db2.gz KRWJZKBWTKULTA-SECBINFHSA-N 0 3 300.196 3.005 20 10 DGCDHN COc1cc(CN(C)Cc2ccc(Cl)cc2)c(O)cc1O ZINC001231636419 1097797060 /nfs/dbraw/zinc/79/70/60/1097797060.db2.gz VHMGNIZGPCYCPA-UHFFFAOYSA-N 0 3 307.777 3.392 20 10 DGCDHN COc1cc(CN2CC=C(c3ccccc3)CC2)c(O)cc1O ZINC001231637134 1097797537 /nfs/dbraw/zinc/79/75/37/1097797537.db2.gz FLUUWAGFBDUMAB-UHFFFAOYSA-N 0 3 311.381 3.396 20 10 DGCDHN COC(=O)CCN(Cc1ccco1)Cc1c(C)cc(C)cc1O ZINC001231844008 1097862284 /nfs/dbraw/zinc/86/22/84/1097862284.db2.gz DMGFDTNJZUPNGV-UHFFFAOYSA-N 0 3 317.385 3.167 20 10 DGCDHN Cc1cc([O-])c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)cc1Cl ZINC001231867007 1097870651 /nfs/dbraw/zinc/87/06/51/1097870651.db2.gz JYJDKCVVMLYGPC-UHFFFAOYSA-N 0 3 320.864 3.272 20 10 DGCDHN Cc1cc([O-])c(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1Cl ZINC001231867007 1097870660 /nfs/dbraw/zinc/87/06/60/1097870660.db2.gz JYJDKCVVMLYGPC-UHFFFAOYSA-N 0 3 320.864 3.272 20 10 DGCDHN Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1F ZINC001175418886 1098039247 /nfs/dbraw/zinc/03/92/47/1098039247.db2.gz PGLVXHNBZQKICI-GFCCVEGCSA-N 0 3 302.349 3.129 20 10 DGCDHN CN1CCN(Cc2c(O)ccc(F)c2F)[C@@H](c2ccccc2)C1 ZINC001233331610 1098292799 /nfs/dbraw/zinc/29/27/99/1098292799.db2.gz DBIZBAYFKBQBSY-MRXNPFEDSA-N 0 3 318.367 3.159 20 10 DGCDHN COCC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233727866 1098416584 /nfs/dbraw/zinc/41/65/84/1098416584.db2.gz QGNROQOTKYFNKO-UHFFFAOYSA-N 0 3 319.323 3.149 20 10 DGCDHN COC1(C)CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233726324 1098416901 /nfs/dbraw/zinc/41/69/01/1098416901.db2.gz CELGFIPNLJEBRI-UHFFFAOYSA-N 0 3 319.323 3.292 20 10 DGCDHN C[C@H]1C[C@@H](CF)N(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727222 1098417017 /nfs/dbraw/zinc/41/70/17/1098417017.db2.gz KMFWJYMLLHXLKW-ONGXEEELSA-N 0 3 307.287 3.471 20 10 DGCDHN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)CC(C)(C)O ZINC001234562502 1098602679 /nfs/dbraw/zinc/60/26/79/1098602679.db2.gz OQBLMFCFKINXQI-UHFFFAOYSA-N 0 3 303.402 3.147 20 10 DGCDHN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)CC(C)(C)O ZINC001234562502 1098602681 /nfs/dbraw/zinc/60/26/81/1098602681.db2.gz OQBLMFCFKINXQI-UHFFFAOYSA-N 0 3 303.402 3.147 20 10 DGCDHN CCN1CCN(c2ccc(OC3CCC(OC)CC3)cc2)CC1 ZINC001234657062 1098635020 /nfs/dbraw/zinc/63/50/20/1098635020.db2.gz AMNGUUCYYUTMTA-UHFFFAOYSA-N 0 3 318.461 3.165 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H](C)c3ccccn3)cc2)CC1 ZINC001234657069 1098635285 /nfs/dbraw/zinc/63/52/85/1098635285.db2.gz AQINPUQOPGTLMM-MRXNPFEDSA-N 0 3 311.429 3.364 20 10 DGCDHN CCN1CCN(c2ccc(OCCOC3CCCC3)cc2)CC1 ZINC001234661460 1098636867 /nfs/dbraw/zinc/63/68/67/1098636867.db2.gz UBQLOQNVGURVQV-UHFFFAOYSA-N 0 3 318.461 3.167 20 10 DGCDHN CC(=O)N1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234990400 1098736409 /nfs/dbraw/zinc/73/64/09/1098736409.db2.gz GSMOCIKIRAHGGS-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN CC(=O)N1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234990400 1098736419 /nfs/dbraw/zinc/73/64/19/1098736419.db2.gz GSMOCIKIRAHGGS-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN [O-]c1c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)cccc1-c1ccccc1 ZINC001235002488 1098744392 /nfs/dbraw/zinc/74/43/92/1098744392.db2.gz QNZSWAHSSBFSKL-ROUUACIJSA-N 0 3 315.388 3.354 20 10 DGCDHN [O-]c1c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)cccc1-c1ccccc1 ZINC001235002488 1098744408 /nfs/dbraw/zinc/74/44/08/1098744408.db2.gz QNZSWAHSSBFSKL-ROUUACIJSA-N 0 3 315.388 3.354 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001235004408 1098747138 /nfs/dbraw/zinc/74/71/38/1098747138.db2.gz ARNXEPQYQLXLCB-XHDPSFHLSA-N 0 3 308.853 3.137 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@H]3C[NH2+][C@H]3C2)cc1Cl ZINC001235197284 1098873048 /nfs/dbraw/zinc/87/30/48/1098873048.db2.gz FXQCSIPFBSBJMQ-NHYWBVRUSA-N 0 3 308.853 3.137 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC001235394261 1098994281 /nfs/dbraw/zinc/99/42/81/1098994281.db2.gz ZZYWLSNTNGWKND-BETUJISGSA-N 0 3 308.853 3.279 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](O)(CF)CC2)c([O-])c1 ZINC001235674984 1099117811 /nfs/dbraw/zinc/11/78/11/1099117811.db2.gz KUDKLSSCKWBEDP-GOSISDBHSA-N 0 3 309.425 3.376 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@](O)(CF)CC2)c([O-])c1 ZINC001235674984 1099117814 /nfs/dbraw/zinc/11/78/14/1099117814.db2.gz KUDKLSSCKWBEDP-GOSISDBHSA-N 0 3 309.425 3.376 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235676961 1099120452 /nfs/dbraw/zinc/12/04/52/1099120452.db2.gz YSBJCRNKYVLCHS-CQSZACIVSA-N 0 3 305.418 3.075 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235676961 1099120455 /nfs/dbraw/zinc/12/04/55/1099120455.db2.gz YSBJCRNKYVLCHS-CQSZACIVSA-N 0 3 305.418 3.075 20 10 DGCDHN COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678681 1099122737 /nfs/dbraw/zinc/12/27/37/1099122737.db2.gz KTJJSXGMOBAGEF-CQSZACIVSA-N 0 3 319.445 3.465 20 10 DGCDHN COC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678681 1099122741 /nfs/dbraw/zinc/12/27/41/1099122741.db2.gz KTJJSXGMOBAGEF-CQSZACIVSA-N 0 3 319.445 3.465 20 10 DGCDHN C[NH2+]CC1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001235679645 1099122926 /nfs/dbraw/zinc/12/29/26/1099122926.db2.gz MFXMEFJRZXWICA-UHFFFAOYSA-N 0 3 303.233 3.130 20 10 DGCDHN COC(=O)CC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235681792 1099123963 /nfs/dbraw/zinc/12/39/63/1099123963.db2.gz KXBVOVGOPOBUDJ-UHFFFAOYSA-N 0 3 319.445 3.465 20 10 DGCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235680247 1099124328 /nfs/dbraw/zinc/12/43/28/1099124328.db2.gz UAIQITYJVJISRL-AWEZNQCLSA-N 0 3 305.418 3.075 20 10 DGCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235680247 1099124331 /nfs/dbraw/zinc/12/43/31/1099124331.db2.gz UAIQITYJVJISRL-AWEZNQCLSA-N 0 3 305.418 3.075 20 10 DGCDHN CC(C)(C)c1ccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001235683842 1099126019 /nfs/dbraw/zinc/12/60/19/1099126019.db2.gz VUFZASIXIBZAAI-HIFRSBDPSA-N 0 3 311.372 3.156 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c([O-])c1 ZINC001235682490 1099126286 /nfs/dbraw/zinc/12/62/86/1099126286.db2.gz XMNIEGOBWZXDGA-BBRMVZONSA-N 0 3 301.430 3.491 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c([O-])c1 ZINC001235682490 1099126290 /nfs/dbraw/zinc/12/62/90/1099126290.db2.gz XMNIEGOBWZXDGA-BBRMVZONSA-N 0 3 301.430 3.491 20 10 DGCDHN CCC(=O)NC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235685564 1099127181 /nfs/dbraw/zinc/12/71/81/1099127181.db2.gz QMIMWGGLDNNIJL-UHFFFAOYSA-N 0 3 318.461 3.180 20 10 DGCDHN CCOC(=O)N[C@@H]1CCCN(Cc2cc(C(C)C)ccc2O)C1 ZINC001179909946 1099256685 /nfs/dbraw/zinc/25/66/85/1099256685.db2.gz XTYPCRFWQCZEBD-MRXNPFEDSA-N 0 3 320.433 3.226 20 10 DGCDHN [O-]c1ccc(Cl)c(Cl)c1CN1CC2(C1)CCC[NH2+]CC2 ZINC001236010825 1099333651 /nfs/dbraw/zinc/33/36/51/1099333651.db2.gz YKGUJCPAHPGIPT-UHFFFAOYSA-N 0 3 315.244 3.275 20 10 DGCDHN COc1cc(CN2CCC[C@H]2C)c(O)cc1Br ZINC001236744884 1099770528 /nfs/dbraw/zinc/77/05/28/1099770528.db2.gz HWYNHNZBSZBSQN-SECBINFHSA-N 0 3 300.196 3.148 20 10 DGCDHN Oc1ccc(OCc2ccccc2)cc1CN1CCCOCC1 ZINC001236794084 1099787196 /nfs/dbraw/zinc/78/71/96/1099787196.db2.gz XCYRWXQKCIRJJZ-UHFFFAOYSA-N 0 3 313.397 3.194 20 10 DGCDHN CCc1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c([O-])c1 ZINC001236790988 1099787590 /nfs/dbraw/zinc/78/75/90/1099787590.db2.gz YXVLVCCCYLTLIW-UHFFFAOYSA-N 0 3 312.413 3.393 20 10 DGCDHN CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236793493 1099787691 /nfs/dbraw/zinc/78/76/91/1099787691.db2.gz WXFWRJRIWHWPSP-MRXNPFEDSA-N 0 3 305.418 3.120 20 10 DGCDHN CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236793493 1099787703 /nfs/dbraw/zinc/78/77/03/1099787703.db2.gz WXFWRJRIWHWPSP-MRXNPFEDSA-N 0 3 305.418 3.120 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC001236795232 1099791888 /nfs/dbraw/zinc/79/18/88/1099791888.db2.gz SFLAOOUDQXUUEO-SFHVURJKSA-N 0 3 312.413 3.393 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC001236795232 1099791899 /nfs/dbraw/zinc/79/18/99/1099791899.db2.gz SFLAOOUDQXUUEO-SFHVURJKSA-N 0 3 312.413 3.393 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC(c3cccnc3)CC2)c([O-])c1 ZINC001236820482 1099804823 /nfs/dbraw/zinc/80/48/23/1099804823.db2.gz MCDQEGQPXAJKTB-UHFFFAOYSA-N 0 3 312.413 3.484 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])[C@H]1C ZINC001236830592 1099813616 /nfs/dbraw/zinc/81/36/16/1099813616.db2.gz BSHBTXUTNGWADL-SUMWQHHRSA-N 0 3 313.397 3.319 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])[C@H]1C ZINC001236830592 1099813620 /nfs/dbraw/zinc/81/36/20/1099813620.db2.gz BSHBTXUTNGWADL-SUMWQHHRSA-N 0 3 313.397 3.319 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])[C@@H]1C ZINC001236830585 1099813896 /nfs/dbraw/zinc/81/38/96/1099813896.db2.gz BSHBTXUTNGWADL-DYVFJYSZSA-N 0 3 313.397 3.319 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])[C@@H]1C ZINC001236830585 1099813907 /nfs/dbraw/zinc/81/39/07/1099813907.db2.gz BSHBTXUTNGWADL-DYVFJYSZSA-N 0 3 313.397 3.319 20 10 DGCDHN O=C(NC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1)C1CC1 ZINC001236838829 1099823216 /nfs/dbraw/zinc/82/32/16/1099823216.db2.gz DFZHMYAMHHZDAC-UHFFFAOYSA-N 0 3 324.424 3.036 20 10 DGCDHN CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236836406 1099823730 /nfs/dbraw/zinc/82/37/30/1099823730.db2.gz IOIDCLMHGWHQDC-QGZVFWFLSA-N 0 3 312.413 3.036 20 10 DGCDHN CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236836406 1099823741 /nfs/dbraw/zinc/82/37/41/1099823741.db2.gz IOIDCLMHGWHQDC-QGZVFWFLSA-N 0 3 312.413 3.036 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COC)C2)c([O-])c1 ZINC001237041406 1099940460 /nfs/dbraw/zinc/94/04/60/1099940460.db2.gz RFGBVIMEQWAJAQ-QAPCUYQASA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COC)C2)c([O-])c1 ZINC001237041406 1099940468 /nfs/dbraw/zinc/94/04/68/1099940468.db2.gz RFGBVIMEQWAJAQ-QAPCUYQASA-N 0 3 305.418 3.039 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)c([O-])c1 ZINC001237049470 1099945828 /nfs/dbraw/zinc/94/58/28/1099945828.db2.gz PRLVEYMXPRBZPB-UHFFFAOYSA-N 0 3 316.445 3.008 20 10 DGCDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049478 1099945848 /nfs/dbraw/zinc/94/58/48/1099945848.db2.gz PSUGHJBIWQGBIE-BBRMVZONSA-N 0 3 305.418 3.147 20 10 DGCDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049478 1099945853 /nfs/dbraw/zinc/94/58/53/1099945853.db2.gz PSUGHJBIWQGBIE-BBRMVZONSA-N 0 3 305.418 3.147 20 10 DGCDHN CC(=O)N1CC[C@H]([N@@H+](Cc2ccc(C(C)C)cc2[O-])C(C)C)C1 ZINC001237054697 1099946594 /nfs/dbraw/zinc/94/65/94/1099946594.db2.gz DPONAHYVMYJSOZ-SFHVURJKSA-N 0 3 318.461 3.347 20 10 DGCDHN CC(=O)N1CC[C@H]([N@H+](Cc2ccc(C(C)C)cc2[O-])C(C)C)C1 ZINC001237054697 1099946598 /nfs/dbraw/zinc/94/65/98/1099946598.db2.gz DPONAHYVMYJSOZ-SFHVURJKSA-N 0 3 318.461 3.347 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c([O-])c1 ZINC001237053248 1099947645 /nfs/dbraw/zinc/94/76/45/1099947645.db2.gz HQJMNEKTFBHIRL-UHFFFAOYSA-N 0 3 316.445 3.006 20 10 DGCDHN [NH3+]C[C@@H]1CC(F)(F)CN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001237116565 1099979153 /nfs/dbraw/zinc/97/91/53/1099979153.db2.gz AHNMKGXTLZNDSB-HNNXBMFYSA-N 0 3 318.367 3.228 20 10 DGCDHN C[C@]1(O)CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237119566 1099980245 /nfs/dbraw/zinc/98/02/45/1099980245.db2.gz IXNIWVPZNQUHAN-AWEZNQCLSA-N 0 3 319.323 3.028 20 10 DGCDHN C[C@]1(O)CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237119566 1099980255 /nfs/dbraw/zinc/98/02/55/1099980255.db2.gz IXNIWVPZNQUHAN-AWEZNQCLSA-N 0 3 319.323 3.028 20 10 DGCDHN C[C@]1(O)CCCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237119566 1099980263 /nfs/dbraw/zinc/98/02/63/1099980263.db2.gz IXNIWVPZNQUHAN-AWEZNQCLSA-N 0 3 319.323 3.028 20 10 DGCDHN C[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)CC1CCOCC1 ZINC001237120232 1099983111 /nfs/dbraw/zinc/98/31/11/1099983111.db2.gz OIOQRYNRUHVZMX-UHFFFAOYSA-N 0 3 319.323 3.149 20 10 DGCDHN C[N@H+](Cc1c([O-])cccc1OC(F)(F)F)CC1CCOCC1 ZINC001237120232 1099983119 /nfs/dbraw/zinc/98/31/19/1099983119.db2.gz OIOQRYNRUHVZMX-UHFFFAOYSA-N 0 3 319.323 3.149 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC001237139009 1099988161 /nfs/dbraw/zinc/98/81/61/1099988161.db2.gz BOSLCNZMWKJHIR-LLVKDONJSA-N 0 3 303.324 3.005 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC001237139009 1099988171 /nfs/dbraw/zinc/98/81/71/1099988171.db2.gz BOSLCNZMWKJHIR-LLVKDONJSA-N 0 3 303.324 3.005 20 10 DGCDHN C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138192 1099989906 /nfs/dbraw/zinc/98/99/06/1099989906.db2.gz VPUPURRYETYKQC-WDEREUQCSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138192 1099989913 /nfs/dbraw/zinc/98/99/13/1099989913.db2.gz VPUPURRYETYKQC-WDEREUQCSA-N 0 3 303.324 3.004 20 10 DGCDHN Oc1ccc(C(F)(F)F)cc1CN1CCC[C@@]12CCOC2 ZINC001237139491 1099990736 /nfs/dbraw/zinc/99/07/36/1099990736.db2.gz GOMXGPUMQCLDGM-AWEZNQCLSA-N 0 3 301.308 3.166 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001237139491 1099990746 /nfs/dbraw/zinc/99/07/46/1099990746.db2.gz GOMXGPUMQCLDGM-AWEZNQCLSA-N 0 3 301.308 3.166 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001237139491 1099990758 /nfs/dbraw/zinc/99/07/58/1099990758.db2.gz GOMXGPUMQCLDGM-AWEZNQCLSA-N 0 3 301.308 3.166 20 10 DGCDHN CC[N@H+](CCn1ccnc1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237142327 1099993482 /nfs/dbraw/zinc/99/34/82/1099993482.db2.gz HITSTUAEDKSQSV-UHFFFAOYSA-N 0 3 313.323 3.130 20 10 DGCDHN CC[N@@H+](CCn1ccnc1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237142327 1099993491 /nfs/dbraw/zinc/99/34/91/1099993491.db2.gz HITSTUAEDKSQSV-UHFFFAOYSA-N 0 3 313.323 3.130 20 10 DGCDHN Cc1cc([O-])c(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001237157722 1100007635 /nfs/dbraw/zinc/00/76/35/1100007635.db2.gz VMUQVRDXXAMVBV-OAHLLOKOSA-N 0 3 308.853 3.461 20 10 DGCDHN c1c(CN2CCNC3=CCCC[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001237225449 1100041170 /nfs/dbraw/zinc/04/11/70/1100041170.db2.gz OWZGKPHCGUDZBO-FQEVSTJZSA-N 0 3 323.484 3.227 20 10 DGCDHN Cc1cccc(O)c1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001237487364 1100139331 /nfs/dbraw/zinc/13/93/31/1100139331.db2.gz IFDZFJUIHSPSBR-UHFFFAOYSA-N 0 3 318.367 3.301 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)OC(=O)c1ccccc12 ZINC001237489683 1100141538 /nfs/dbraw/zinc/14/15/38/1100141538.db2.gz JROFWMBXSOXGII-UHFFFAOYSA-N 0 3 323.392 3.362 20 10 DGCDHN Cc1ccc(CN2CCN(Cc3c(C)cccc3O)CC2)cc1 ZINC001237489807 1100141752 /nfs/dbraw/zinc/14/17/52/1100141752.db2.gz KRQNEMCRNGYQNA-UHFFFAOYSA-N 0 3 310.441 3.327 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001237493516 1100143619 /nfs/dbraw/zinc/14/36/19/1100143619.db2.gz ZBVPAJNOSIDQDT-CQSZACIVSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001237493516 1100143624 /nfs/dbraw/zinc/14/36/24/1100143624.db2.gz ZBVPAJNOSIDQDT-CQSZACIVSA-N 0 3 305.418 3.254 20 10 DGCDHN CC1(CO)C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640967 1100198840 /nfs/dbraw/zinc/19/88/40/1100198840.db2.gz IYEDZFWVLADCTL-UHFFFAOYSA-N 0 3 301.361 3.013 20 10 DGCDHN CC1(CO)CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237640967 1100198845 /nfs/dbraw/zinc/19/88/45/1100198845.db2.gz IYEDZFWVLADCTL-UHFFFAOYSA-N 0 3 301.361 3.013 20 10 DGCDHN C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640479 1100199783 /nfs/dbraw/zinc/19/97/83/1100199783.db2.gz BVWXHPKJUFGQHH-UGSOOPFHSA-N 0 3 315.388 3.401 20 10 DGCDHN C[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640479 1100199787 /nfs/dbraw/zinc/19/97/87/1100199787.db2.gz BVWXHPKJUFGQHH-UGSOOPFHSA-N 0 3 315.388 3.401 20 10 DGCDHN CCN(CC[NH+]1CCCC1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237936011 1100297653 /nfs/dbraw/zinc/29/76/53/1100297653.db2.gz IDVCTNLQMGHART-UHFFFAOYSA-N 0 3 300.805 3.102 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238069950 1100350485 /nfs/dbraw/zinc/35/04/85/1100350485.db2.gz LNAFSHJNPKMJDR-KRWDZBQOSA-N 0 3 309.381 3.005 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238069950 1100350490 /nfs/dbraw/zinc/35/04/90/1100350490.db2.gz LNAFSHJNPKMJDR-KRWDZBQOSA-N 0 3 309.381 3.005 20 10 DGCDHN COc1cc(C)c(CNCc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC001199865130 1102236514 /nfs/dbraw/zinc/23/65/14/1102236514.db2.gz PNKJZMCHGLFMIX-UHFFFAOYSA-N 0 3 317.408 3.202 20 10 DGCDHN COc1ccc(CNC/C=C/CNC(=O)c2ccccc2)cc1C ZINC001273814647 1102318856 /nfs/dbraw/zinc/31/88/56/1102318856.db2.gz JJWXIGDSSCKVFS-VOTSOKGWSA-N 0 3 324.424 3.079 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001275216802 1104679903 /nfs/dbraw/zinc/67/99/03/1104679903.db2.gz DBDBQQOYTGLDLD-UHFFFAOYSA-N 0 3 306.837 3.248 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001275216802 1104679906 /nfs/dbraw/zinc/67/99/06/1104679906.db2.gz DBDBQQOYTGLDLD-UHFFFAOYSA-N 0 3 306.837 3.248 20 10 DGCDHN CN(Cc1cc(Cl)cn2ccnc12)Cc1ccccc1O ZINC001248452106 1105114925 /nfs/dbraw/zinc/11/49/25/1105114925.db2.gz XVOTVYNPQMYWST-UHFFFAOYSA-N 0 3 301.777 3.325 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C[C@]1(C)O ZINC001249223219 1105249635 /nfs/dbraw/zinc/24/96/35/1105249635.db2.gz BMIQAUBUIRHMSL-YJYMSZOUSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C[C@]1(C)O ZINC001249223219 1105249638 /nfs/dbraw/zinc/24/96/38/1105249638.db2.gz BMIQAUBUIRHMSL-YJYMSZOUSA-N 0 3 317.429 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@]4(CCOC4)C3)ccc2O1 ZINC001249230618 1105251251 /nfs/dbraw/zinc/25/12/51/1105251251.db2.gz NASQGMUHLAOJDT-LJQANCHMSA-N 0 3 315.413 3.189 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@]4(CCOC4)C3)ccc2O1 ZINC001249230618 1105251257 /nfs/dbraw/zinc/25/12/57/1105251257.db2.gz NASQGMUHLAOJDT-LJQANCHMSA-N 0 3 315.413 3.189 20 10 DGCDHN Cc1cc(C)cc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1 ZINC001249339477 1105271621 /nfs/dbraw/zinc/27/16/21/1105271621.db2.gz LAWHPVCXCHGCJO-OAHLLOKOSA-N 0 3 309.369 3.302 20 10 DGCDHN CCCC[C@H](CC)COC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC001253010741 1105876338 /nfs/dbraw/zinc/87/63/38/1105876338.db2.gz WIPLQZIMOKSQEX-WMZOPIPTSA-N 0 3 323.477 3.418 20 10 DGCDHN CCCC[C@H](CC)COC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC001253010741 1105876346 /nfs/dbraw/zinc/87/63/46/1105876346.db2.gz WIPLQZIMOKSQEX-WMZOPIPTSA-N 0 3 323.477 3.418 20 10 DGCDHN CCCCOC(=O)CC[C@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001257403303 1106583222 /nfs/dbraw/zinc/58/32/22/1106583222.db2.gz RYZXXMOUCYAAIU-AWEZNQCLSA-N 0 3 305.418 3.262 20 10 DGCDHN CCCCOC(=O)CC[C@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001257403303 1106583224 /nfs/dbraw/zinc/58/32/24/1106583224.db2.gz RYZXXMOUCYAAIU-AWEZNQCLSA-N 0 3 305.418 3.262 20 10 DGCDHN Oc1cccc2c1CN([C@H]1COc3ccc(Cl)cc3C1)CC2 ZINC001257967127 1106652837 /nfs/dbraw/zinc/65/28/37/1106652837.db2.gz RAUWDYYRTLBMBA-OAHLLOKOSA-N 0 3 315.800 3.407 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c([O-])c1 ZINC001474744223 1106775024 /nfs/dbraw/zinc/77/50/24/1106775024.db2.gz DEXGQORUYPXGBH-ZDUSSCGKSA-N 0 3 318.442 3.230 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c([O-])c1 ZINC001474744223 1106775036 /nfs/dbraw/zinc/77/50/36/1106775036.db2.gz DEXGQORUYPXGBH-ZDUSSCGKSA-N 0 3 318.442 3.230 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccccc2N2CCCC2)c([O-])c1 ZINC001321202174 1107284091 /nfs/dbraw/zinc/28/40/91/1107284091.db2.gz IKQFVPFCYZIJQC-UHFFFAOYSA-N 0 3 312.413 3.291 20 10 DGCDHN Oc1ccccc1CNCc1cccc(OCC(F)(F)F)n1 ZINC001321346240 1107328970 /nfs/dbraw/zinc/32/89/70/1107328970.db2.gz UFFJPNQXENJELI-UHFFFAOYSA-N 0 3 312.291 3.018 20 10 DGCDHN Cc1noc2ncc(CN[C@H](C)c3ccc(N(C)C)cc3)cc12 ZINC001262188423 1107643244 /nfs/dbraw/zinc/64/32/44/1107643244.db2.gz QHURPQMMIVIMDR-GFCCVEGCSA-N 0 3 310.401 3.448 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1ccc(C)cc1[O-] ZINC001322454775 1107677555 /nfs/dbraw/zinc/67/75/55/1107677555.db2.gz FKJGBCQFCXLRLC-FUHWJXTLSA-N 0 3 321.461 3.167 20 10 DGCDHN COc1cc(CNCc2ccc(N(C)C)c(F)c2)ccc1F ZINC001308230670 1111401683 /nfs/dbraw/zinc/40/16/83/1111401683.db2.gz CKVQISNGWUFGLL-UHFFFAOYSA-N 0 3 306.356 3.329 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])Cc1cc2ccc(F)cc2[nH]c1=O ZINC001308624379 1111451946 /nfs/dbraw/zinc/45/19/46/1111451946.db2.gz MAXCNFZFYQCHBY-UHFFFAOYSA-N 0 3 312.344 3.417 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cc2ccc(F)cc2[nH]c1=O ZINC001308624379 1111451948 /nfs/dbraw/zinc/45/19/48/1111451948.db2.gz MAXCNFZFYQCHBY-UHFFFAOYSA-N 0 3 312.344 3.417 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c([O-])c1 ZINC001308638759 1111454486 /nfs/dbraw/zinc/45/44/86/1111454486.db2.gz IWPDTQFPVDNCKA-GOEBONIOSA-N 0 3 307.434 3.393 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c([O-])c1 ZINC001308638758 1111454508 /nfs/dbraw/zinc/45/45/08/1111454508.db2.gz IWPDTQFPVDNCKA-GDBMZVCRSA-N 0 3 307.434 3.393 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCCC3(CCOCC3)C2)c([O-])c1 ZINC001308730749 1111466705 /nfs/dbraw/zinc/46/67/05/1111466705.db2.gz INCHUKUCEARYPH-UHFFFAOYSA-N 0 3 305.418 3.102 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCCC3(CCOCC3)C2)c([O-])c1 ZINC001308730749 1111466709 /nfs/dbraw/zinc/46/67/09/1111466709.db2.gz INCHUKUCEARYPH-UHFFFAOYSA-N 0 3 305.418 3.102 20 10 DGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc2cncn2c1 ZINC001308811089 1111478612 /nfs/dbraw/zinc/47/86/12/1111478612.db2.gz UMLJFVYUYUKTKO-UHFFFAOYSA-N 0 3 305.740 3.122 20 10 DGCDHN CCC[N@H+](Cc1ccc(C(=O)NC)cc1)Cc1ccccc1[O-] ZINC000066873577 432024028 /nfs/dbraw/zinc/02/40/28/432024028.db2.gz RQYHPGVZHSAJOI-UHFFFAOYSA-N 0 3 312.413 3.164 20 10 DGCDHN CCC[N@@H+](Cc1ccc(C(=O)NC)cc1)Cc1ccccc1[O-] ZINC000066873577 432024030 /nfs/dbraw/zinc/02/40/30/432024030.db2.gz RQYHPGVZHSAJOI-UHFFFAOYSA-N 0 3 312.413 3.164 20 10 DGCDHN CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000179794385 432071295 /nfs/dbraw/zinc/07/12/95/432071295.db2.gz VDSHTLXSTDFNCT-UHFFFAOYSA-N 0 3 318.461 3.171 20 10 DGCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000185207143 299290223 /nfs/dbraw/zinc/29/02/23/299290223.db2.gz DFKKSPCJDHUVNU-KFWWJZLASA-N 0 3 324.440 3.071 20 10 DGCDHN CCN(CC)c1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246123119 432097003 /nfs/dbraw/zinc/09/70/03/432097003.db2.gz KLOPYCHTQYNVQC-MSOLQXFVSA-N 0 3 320.502 3.239 20 10 DGCDHN Cc1nc(C)c([C@H](C)N(C)Cc2cc3c(cc2O)OCO3)s1 ZINC000093275637 193223866 /nfs/dbraw/zinc/22/38/66/193223866.db2.gz YZGVMUGMCCKORE-JTQLQIEISA-N 0 3 320.414 3.387 20 10 DGCDHN CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268716626 432124974 /nfs/dbraw/zinc/12/49/74/432124974.db2.gz IUYOVVOHGCPEIQ-HZPDHXFCSA-N 0 3 317.477 3.242 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)CC2 ZINC000296001731 285396748 /nfs/dbraw/zinc/39/67/48/285396748.db2.gz OJPRXVDMDHFNQU-SFHVURJKSA-N 0 3 319.408 3.414 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1COC3(CCCCC3)O1)CC2 ZINC000296979557 285396969 /nfs/dbraw/zinc/39/69/69/285396969.db2.gz RVVGHKSPBQBZEK-CABCVRRESA-N 0 3 303.402 3.045 20 10 DGCDHN COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000272928630 130074595 /nfs/dbraw/zinc/07/45/95/130074595.db2.gz ZEVMBWJGEZPUEE-CYBMUJFWSA-N 0 3 314.385 3.464 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000273028953 130084352 /nfs/dbraw/zinc/08/43/52/130084352.db2.gz FWWPWYXNPXKFOC-HUUCEWRRSA-N 0 3 307.434 3.476 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000273303160 130104632 /nfs/dbraw/zinc/10/46/32/130104632.db2.gz CDEVBTOEYPWJOP-HNNXBMFYSA-N 0 3 322.412 3.191 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c([O-])c1C ZINC000273355764 130111554 /nfs/dbraw/zinc/11/15/54/130111554.db2.gz CNMDATWAIXVIRY-YOEHRIQHSA-N 0 3 317.404 3.402 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c([O-])c1C ZINC000273419044 130118838 /nfs/dbraw/zinc/11/88/38/130118838.db2.gz RQIWRMZOEBWWLV-CQSZACIVSA-N 0 3 305.418 3.345 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000273490337 130127969 /nfs/dbraw/zinc/12/79/69/130127969.db2.gz OBSNIAGUIQUWLM-PZROIBLQSA-N 0 3 319.376 3.313 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c([O-])c1C ZINC000273488131 130128120 /nfs/dbraw/zinc/12/81/20/130128120.db2.gz NRBHQSBHDFAASF-HUUCEWRRSA-N 0 3 305.418 3.345 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(Br)cc1[O-] ZINC000273560503 130136809 /nfs/dbraw/zinc/13/68/09/130136809.db2.gz IARBIMPISYMTLC-WDEREUQCSA-N 0 3 315.255 3.146 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000273742784 130160797 /nfs/dbraw/zinc/16/07/97/130160797.db2.gz LZNNNLBFGIQPKJ-KBPBESRZSA-N 0 3 313.825 3.347 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCSC2)c1[O-] ZINC000280591732 130808155 /nfs/dbraw/zinc/80/81/55/130808155.db2.gz XORMHQOHTSZUJG-SNVBAGLBSA-N 0 3 316.264 3.306 20 10 DGCDHN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284162461 131054844 /nfs/dbraw/zinc/05/48/44/131054844.db2.gz PVMDTZDBAOEMAA-KSSFIOAISA-N 0 3 315.413 3.402 20 10 DGCDHN Cc1cc(O)c(CNCc2ccnc(OC(F)F)c2)cc1C ZINC000284213568 131060117 /nfs/dbraw/zinc/06/01/17/131060117.db2.gz ZPHXQECDLGTXHX-UHFFFAOYSA-N 0 3 308.328 3.295 20 10 DGCDHN COC(=O)Nc1cccc(CNCc2ccc(N(C)C)cc2)c1 ZINC000285655615 131191076 /nfs/dbraw/zinc/19/10/76/131191076.db2.gz YQTILKWYZNYQSZ-UHFFFAOYSA-N 0 3 313.401 3.221 20 10 DGCDHN C[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000287136577 131265770 /nfs/dbraw/zinc/26/57/70/131265770.db2.gz RYJCBBNPAVCNFL-SUMWQHHRSA-N 0 3 302.393 3.485 20 10 DGCDHN COCCOCc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000288952558 131347332 /nfs/dbraw/zinc/34/73/32/131347332.db2.gz AENXJNJSZJCSDM-UHFFFAOYSA-N 0 3 315.413 3.187 20 10 DGCDHN COCCOCc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000288952558 131347333 /nfs/dbraw/zinc/34/73/33/131347333.db2.gz AENXJNJSZJCSDM-UHFFFAOYSA-N 0 3 315.413 3.187 20 10 DGCDHN COc1cccc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)c1[O-] ZINC000289538060 131394806 /nfs/dbraw/zinc/39/48/06/131394806.db2.gz WOCGCCSVPKUAJV-HNNXBMFYSA-N 0 3 313.397 3.057 20 10 DGCDHN CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297651723 132026894 /nfs/dbraw/zinc/02/68/94/132026894.db2.gz KEVDJAXVUBHCTC-KRWDZBQOSA-N 0 3 324.424 3.018 20 10 DGCDHN CCOc1cc(CNCc2ccc(N(C)C)cc2)ccc1O ZINC000072727500 400400732 /nfs/dbraw/zinc/40/07/32/400400732.db2.gz BQWMYKXCYNLHJB-UHFFFAOYSA-N 0 3 300.402 3.147 20 10 DGCDHN Cc1[nH]nc2ncc(CNCc3c(C)c4ccccc4n3C)cc12 ZINC000355120386 533678315 /nfs/dbraw/zinc/67/83/15/533678315.db2.gz JSBMAKMSOQGTPQ-UHFFFAOYSA-N 0 3 319.412 3.356 20 10 DGCDHN CCCCCCN(C)CC(=O)NCc1cc(Cl)ccc1O ZINC001628667046 1194190522 /nfs/dbraw/zinc/19/05/22/1194190522.db2.gz OLUPKZNTXVNIHS-UHFFFAOYSA-N 0 3 312.841 3.174 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1[O-] ZINC000136681850 432160241 /nfs/dbraw/zinc/16/02/41/432160241.db2.gz PYXJZJOJPGAGBU-HNNXBMFYSA-N 0 3 305.418 3.372 20 10 DGCDHN COCc1ccc([C@@H]2CCCN2Cc2cccc(OC)c2O)o1 ZINC000137064452 432170704 /nfs/dbraw/zinc/17/07/04/432170704.db2.gz YOGBZYMNVUJMJD-HNNXBMFYSA-N 0 3 317.385 3.477 20 10 DGCDHN Cc1cccc(CN2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000179725301 228353173 /nfs/dbraw/zinc/35/31/73/228353173.db2.gz QQCITZFKLWSMAT-UHFFFAOYSA-N 0 3 324.424 3.049 20 10 DGCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000183613142 228375731 /nfs/dbraw/zinc/37/57/31/228375731.db2.gz YAPIDBDMKVXHEM-JKIFEVAISA-N 0 3 310.397 3.237 20 10 DGCDHN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000270207557 432230571 /nfs/dbraw/zinc/23/05/71/432230571.db2.gz KXJBTYUYLCJCSX-CYBMUJFWSA-N 0 3 319.426 3.037 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1C ZINC000151397717 432244397 /nfs/dbraw/zinc/24/43/97/432244397.db2.gz HJFMBJUXUZZOBA-NVXWUHKLSA-N 0 3 307.459 3.153 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1[O-] ZINC000283374798 276585254 /nfs/dbraw/zinc/58/52/54/276585254.db2.gz OHCUTICLQFDTSP-ZVZYQTTQSA-N 0 3 319.445 3.001 20 10 DGCDHN C[C@H](N[C@@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000112536847 431281781 /nfs/dbraw/zinc/28/17/81/431281781.db2.gz XCHZQODFEIIBPO-HOTGVXAUSA-N 0 3 311.429 3.330 20 10 DGCDHN Cc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000013994570 431573606 /nfs/dbraw/zinc/57/36/06/431573606.db2.gz ONEHGIFBQJLYQJ-INIZCTEOSA-N 0 3 301.386 3.475 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)CCc2ccccn2)c([O-])c1 ZINC000120822217 431735414 /nfs/dbraw/zinc/73/54/14/431735414.db2.gz FDDVFOLMZOJSAN-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)CCc2ccccn2)c([O-])c1 ZINC000120822217 431735420 /nfs/dbraw/zinc/73/54/20/431735420.db2.gz FDDVFOLMZOJSAN-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN CCN(Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1O ZINC000120033430 431721791 /nfs/dbraw/zinc/72/17/91/431721791.db2.gz VLAGOXXDAXYJRL-UHFFFAOYSA-N 0 3 315.369 3.152 20 10 DGCDHN CCOc1cccc(CN(C)[C@@H](CCO)c2ccccc2)c1O ZINC000093442518 431916549 /nfs/dbraw/zinc/91/65/49/431916549.db2.gz HCWSARMTORMMDV-KRWDZBQOSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1[O-] ZINC000093442518 431916551 /nfs/dbraw/zinc/91/65/51/431916551.db2.gz HCWSARMTORMMDV-KRWDZBQOSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1[O-] ZINC000093442518 431916553 /nfs/dbraw/zinc/91/65/53/431916553.db2.gz HCWSARMTORMMDV-KRWDZBQOSA-N 0 3 315.413 3.346 20 10 DGCDHN COc1cccc(CN(C)Cc2cccc(N(C)C)c2)c1O ZINC000093863573 431918980 /nfs/dbraw/zinc/91/89/80/431918980.db2.gz HRUOJACWGFDTSB-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cc(CN(C)Cc2ccc(N(C)C)c(F)c2)ccc1O ZINC000125962592 431939323 /nfs/dbraw/zinc/93/93/23/431939323.db2.gz SLGLOXWCTUZBKD-UHFFFAOYSA-N 0 3 318.392 3.238 20 10 DGCDHN COCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183415764 432292276 /nfs/dbraw/zinc/29/22/76/432292276.db2.gz ORYFOEPBMRIFFL-AWEZNQCLSA-N 0 3 301.386 3.268 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccccc1[O-] ZINC000183434928 432293032 /nfs/dbraw/zinc/29/30/32/432293032.db2.gz XUAJOMBCYFAFTG-OAHLLOKOSA-N 0 3 324.424 3.365 20 10 DGCDHN C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000183478603 432296023 /nfs/dbraw/zinc/29/60/23/432296023.db2.gz MLRUXJQMZZGDGF-NSHDSACASA-N 0 3 302.340 3.070 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183513694 432299086 /nfs/dbraw/zinc/29/90/86/432299086.db2.gz HQESWEFCHRXNRH-ZIAGYGMSSA-N 0 3 320.433 3.442 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000270606057 432264219 /nfs/dbraw/zinc/26/42/19/432264219.db2.gz BRSAUIUNORJHCH-PBHICJAKSA-N 0 3 307.434 3.474 20 10 DGCDHN CC(=O)N1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271042078 432320244 /nfs/dbraw/zinc/32/02/44/432320244.db2.gz NSPMDEOBCOYNAQ-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN CC(=O)N1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271042078 432320247 /nfs/dbraw/zinc/32/02/47/432320247.db2.gz NSPMDEOBCOYNAQ-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN COc1cc(NCC[NH2+][C@@H](C)c2ccccc2[O-])cc(OC)c1 ZINC000183626102 432309635 /nfs/dbraw/zinc/30/96/35/432309635.db2.gz VHUUJFCPWWKZAN-ZDUSSCGKSA-N 0 3 316.401 3.172 20 10 DGCDHN CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183671546 432315220 /nfs/dbraw/zinc/31/52/20/432315220.db2.gz NJWIYYZREKSAIO-CYBMUJFWSA-N 0 3 319.426 3.037 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NC[C@@](C)(O)C(F)(F)F)cc1 ZINC000271491083 432407034 /nfs/dbraw/zinc/40/70/34/432407034.db2.gz KUBCALNAESEEDC-BXUZGUMPSA-N 0 3 304.356 3.107 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)c1[O-] ZINC000271922359 432428649 /nfs/dbraw/zinc/42/86/49/432428649.db2.gz CGDVXMNWKOMSON-KZULUSFZSA-N 0 3 319.376 3.406 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1[O-] ZINC000192916114 432428887 /nfs/dbraw/zinc/42/88/87/432428887.db2.gz TUFZVDSMJOJPJR-GDBMZVCRSA-N 0 3 300.402 3.473 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cc1OC ZINC000271955119 432430879 /nfs/dbraw/zinc/43/08/79/432430879.db2.gz CIOSQJVRUCNABB-CABCVRRESA-N 0 3 323.433 3.093 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c([O-])c1 ZINC000184954213 432449603 /nfs/dbraw/zinc/44/96/03/432449603.db2.gz LYASQQKJKZCUMW-HNNXBMFYSA-N 0 3 322.412 3.191 20 10 DGCDHN COc1cc(Cl)cc(CN(CCO)Cc2ccccc2)c1O ZINC000184672179 432419239 /nfs/dbraw/zinc/41/92/39/432419239.db2.gz LWFOOYRJLCOSSD-UHFFFAOYSA-N 0 3 321.804 3.049 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c([O-])c1 ZINC000185215247 432477947 /nfs/dbraw/zinc/47/79/47/432477947.db2.gz ORSLEAPZXNLEEM-HNNXBMFYSA-N 0 3 318.461 3.388 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000185206779 432478053 /nfs/dbraw/zinc/47/80/53/432478053.db2.gz SFFWNLMLNYQFHO-ZACQAIPSSA-N 0 3 320.477 3.241 20 10 DGCDHN Cc1nn(C)c(C)c1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185277084 432485957 /nfs/dbraw/zinc/48/59/57/432485957.db2.gz UMAWYLMNXXHWEO-GFCCVEGCSA-N 0 3 313.445 3.472 20 10 DGCDHN Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185277084 432485962 /nfs/dbraw/zinc/48/59/62/432485962.db2.gz UMAWYLMNXXHWEO-GFCCVEGCSA-N 0 3 313.445 3.472 20 10 DGCDHN Cc1cc(O)c(CN(C)Cc2ccc([S@@](C)=O)cc2)cc1C ZINC000176124299 432494224 /nfs/dbraw/zinc/49/42/24/432494224.db2.gz SNGHTBOUUAZGOO-JOCHJYFZSA-N 0 3 317.454 3.378 20 10 DGCDHN Cc1cccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1[O-] ZINC000185581088 432511861 /nfs/dbraw/zinc/51/18/61/432511861.db2.gz XFCNVXFDGLVXGK-OAHLLOKOSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1[O-] ZINC000185581088 432511863 /nfs/dbraw/zinc/51/18/63/432511863.db2.gz XFCNVXFDGLVXGK-OAHLLOKOSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1 ZINC000185090993 432466089 /nfs/dbraw/zinc/46/60/89/432466089.db2.gz BURWSRRPSKHHHF-AWEZNQCLSA-N 0 3 304.434 3.190 20 10 DGCDHN COc1cccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1[O-] ZINC000185111329 432466637 /nfs/dbraw/zinc/46/66/37/432466637.db2.gz MKPBSODDQGAVBQ-QGZVFWFLSA-N 0 3 321.804 3.052 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCc3sccc3C2)c([O-])c1 ZINC000185105567 432467263 /nfs/dbraw/zinc/46/72/63/432467263.db2.gz ZEDMTVXXLVRQOR-CQSZACIVSA-N 0 3 316.470 3.471 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2(SC)CCC2)c1[O-] ZINC000193364108 432469100 /nfs/dbraw/zinc/46/91/00/432469100.db2.gz SIKYKFWVZNRNPF-UHFFFAOYSA-N 0 3 301.839 3.430 20 10 DGCDHN CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000185657807 432519770 /nfs/dbraw/zinc/51/97/70/432519770.db2.gz FJASGGPQGYOTMG-BOLFOIPXSA-N 0 3 309.475 3.431 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[O-] ZINC000185677565 432524090 /nfs/dbraw/zinc/52/40/90/432524090.db2.gz IWDBPAWAICCXCR-KSSFIOAISA-N 0 3 314.429 3.182 20 10 DGCDHN CCc1nn(C)c(CC)c1CN[C@H](C)c1cc(OC)ccc1O ZINC000186176911 432564612 /nfs/dbraw/zinc/56/46/12/432564612.db2.gz SZFKXPOGRXBALZ-GFCCVEGCSA-N 0 3 317.433 3.110 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2nc(C)c(C)s2)c1 ZINC000185797546 432534151 /nfs/dbraw/zinc/53/41/51/432534151.db2.gz RATOBWBQCXXQAO-LLVKDONJSA-N 0 3 306.431 3.367 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c([O-])c1 ZINC000185813029 432535066 /nfs/dbraw/zinc/53/50/66/432535066.db2.gz PCDJLYRPXNXEBR-RHSMWYFYSA-N 0 3 310.397 3.157 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000185829035 432536537 /nfs/dbraw/zinc/53/65/37/432536537.db2.gz FPMUVUNVJDYFCD-CXAGYDPISA-N 0 3 307.434 3.383 20 10 DGCDHN COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185826661 432536923 /nfs/dbraw/zinc/53/69/23/432536923.db2.gz VNABEYRIMMENOO-KSSFIOAISA-N 0 3 315.413 3.484 20 10 DGCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccccc1[O-] ZINC000155256655 432546528 /nfs/dbraw/zinc/54/65/28/432546528.db2.gz NGVVHAJFGRHFGU-MRXNPFEDSA-N 0 3 316.376 3.002 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)cc(OC)c2)c1 ZINC000186216636 432569750 /nfs/dbraw/zinc/56/97/50/432569750.db2.gz XRWIHVDYWNTHSG-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000186456439 432597421 /nfs/dbraw/zinc/59/74/21/432597421.db2.gz UQKUQMBIUXFFSH-AUUYWEPGSA-N 0 3 314.429 3.182 20 10 DGCDHN CCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187020296 432641136 /nfs/dbraw/zinc/64/11/36/432641136.db2.gz GACSCDKJRLZTNF-JTQLQIEISA-N 0 3 302.212 3.150 20 10 DGCDHN CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187180861 432649604 /nfs/dbraw/zinc/64/96/04/432649604.db2.gz NNDWCVVRAGHYHP-IINYFYTJSA-N 0 3 316.239 3.275 20 10 DGCDHN CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187180882 432650331 /nfs/dbraw/zinc/65/03/31/432650331.db2.gz NNDWCVVRAGHYHP-YGRLFVJLSA-N 0 3 316.239 3.275 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000219453192 432664755 /nfs/dbraw/zinc/66/47/55/432664755.db2.gz VGUDSNVLLNDVRW-UKRRQHHQSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000223661836 432678299 /nfs/dbraw/zinc/67/82/99/432678299.db2.gz BWPHXUJIGOQNKA-KGLIPLIRSA-N 0 3 320.433 3.300 20 10 DGCDHN CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccccc1[O-] ZINC000275873298 432757197 /nfs/dbraw/zinc/75/71/97/432757197.db2.gz JYPNXNNDZVTCCJ-MRXNPFEDSA-N 0 3 314.433 3.133 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOCC(F)F ZINC000276191624 432781115 /nfs/dbraw/zinc/78/11/15/432781115.db2.gz HBQRMIKLVVFKQL-UHFFFAOYSA-N 0 3 307.340 3.431 20 10 DGCDHN COc1cccc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)c1 ZINC000296225446 432885788 /nfs/dbraw/zinc/88/57/88/432885788.db2.gz AHJOOFWKVUMHTQ-CRAIPNDOSA-N 0 3 324.424 3.257 20 10 DGCDHN CC[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)NC(=O)OC(C)(C)C ZINC000296571291 432922914 /nfs/dbraw/zinc/92/29/14/432922914.db2.gz SWXIDACTFLHHCO-ZIAGYGMSSA-N 0 3 320.433 3.272 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCC(O)(c3cccnc3)CC1)CC2 ZINC000296588551 432923293 /nfs/dbraw/zinc/92/32/93/432923293.db2.gz WSBPJEUXXXPUHG-GNZRSQJKSA-N 0 3 324.424 3.195 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1COC3(CCCCC3)O1)CC2 ZINC000296979565 432944899 /nfs/dbraw/zinc/94/48/99/432944899.db2.gz RVVGHKSPBQBZEK-GJZGRUSLSA-N 0 3 303.402 3.045 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c([O-])c1 ZINC000278562959 432896387 /nfs/dbraw/zinc/89/63/87/432896387.db2.gz WVBLIIAELOTYKH-SNVBAGLBSA-N 0 3 309.303 3.268 20 10 DGCDHN COc1cc(O)c(CNC(C)(C)c2c(C)noc2C)cc1OC ZINC000289915017 432979382 /nfs/dbraw/zinc/97/93/82/432979382.db2.gz VHCYYDUUADHYDQ-UHFFFAOYSA-N 0 3 320.389 3.039 20 10 DGCDHN C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000289969042 432980161 /nfs/dbraw/zinc/98/01/61/432980161.db2.gz XGLRUNBHYQIFHB-CYBMUJFWSA-N 0 3 308.422 3.175 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)C1CCN(C2CC2)CC1 ZINC000279650772 432988528 /nfs/dbraw/zinc/98/85/28/432988528.db2.gz BKFMKCLYJXPSIE-UHFFFAOYSA-N 0 3 316.445 3.005 20 10 DGCDHN CN(C)C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000297470466 432995290 /nfs/dbraw/zinc/99/52/90/432995290.db2.gz YPFINBHKLJVGAA-IRXDYDNUSA-N 0 3 314.404 3.411 20 10 DGCDHN CC[C@@H]([NH2+]CCCC(=O)N(CC)CC)c1ccc(C)cc1[O-] ZINC000280263832 433025390 /nfs/dbraw/zinc/02/53/90/433025390.db2.gz XJMCGUUWLTUUHS-MRXNPFEDSA-N 0 3 306.450 3.390 20 10 DGCDHN CCCn1ccnc1CCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000290323660 433032689 /nfs/dbraw/zinc/03/26/89/433032689.db2.gz DFRQXEQKXHLASG-UHFFFAOYSA-N 0 3 301.434 3.372 20 10 DGCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000290323660 433032690 /nfs/dbraw/zinc/03/26/90/433032690.db2.gz DFRQXEQKXHLASG-UHFFFAOYSA-N 0 3 301.434 3.372 20 10 DGCDHN CN(C)c1ccc(CN(Cc2c[nH]c3nccnc23)C2CC2)cc1 ZINC000290391260 433043483 /nfs/dbraw/zinc/04/34/83/433043483.db2.gz JJZIXGNXQAYDMK-UHFFFAOYSA-N 0 3 321.428 3.189 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)c([O-])c1 ZINC000290447261 433054057 /nfs/dbraw/zinc/05/40/57/433054057.db2.gz MDDBRNXRERBSAQ-SFHVURJKSA-N 0 3 307.434 3.308 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@]2(C)CCCO)c([O-])c1 ZINC000290447261 433054060 /nfs/dbraw/zinc/05/40/60/433054060.db2.gz MDDBRNXRERBSAQ-SFHVURJKSA-N 0 3 307.434 3.308 20 10 DGCDHN CN(C)C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000290466232 433061248 /nfs/dbraw/zinc/06/12/48/433061248.db2.gz NFVVICNCAQOMIF-INIZCTEOSA-N 0 3 306.356 3.063 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)c([O-])c1C ZINC000290490624 433066399 /nfs/dbraw/zinc/06/63/99/433066399.db2.gz XTTPYHWLMVXZOC-AXHNFQJDSA-N 0 3 313.397 3.154 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1F ZINC000373227182 433133326 /nfs/dbraw/zinc/13/33/26/433133326.db2.gz JHVMTPZSOZXKED-HNNXBMFYSA-N 0 3 316.424 3.005 20 10 DGCDHN CCOc1cccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000290952953 433210395 /nfs/dbraw/zinc/21/03/95/433210395.db2.gz QULHPIITXSCJEE-AEFFLSMTSA-N 0 3 317.429 3.324 20 10 DGCDHN CC(C)(NCc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000291745094 433333092 /nfs/dbraw/zinc/33/30/92/433333092.db2.gz PJWXMMNFJLIWAQ-UHFFFAOYSA-N 0 3 303.333 3.285 20 10 DGCDHN C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1[O-] ZINC000183432590 289973461 /nfs/dbraw/zinc/97/34/61/289973461.db2.gz DDXLYPKNEYERAD-SUMWQHHRSA-N 0 3 302.393 3.485 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)cc1OC ZINC000292717201 433590214 /nfs/dbraw/zinc/59/02/14/433590214.db2.gz DUYCCGAQWKGFTB-QGZVFWFLSA-N 0 3 305.418 3.420 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)cc1OC ZINC000292717201 433590223 /nfs/dbraw/zinc/59/02/23/433590223.db2.gz DUYCCGAQWKGFTB-QGZVFWFLSA-N 0 3 305.418 3.420 20 10 DGCDHN CCCN(Cc1ccnn1CCCOC)Cc1ccccc1O ZINC000282750751 433625446 /nfs/dbraw/zinc/62/54/46/433625446.db2.gz GXBGTYJNMMHSQM-UHFFFAOYSA-N 0 3 317.433 3.037 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c([O-])c1 ZINC000293724890 433842975 /nfs/dbraw/zinc/84/29/75/433842975.db2.gz MQPGYQABEGPSSO-INIZCTEOSA-N 0 3 318.461 3.452 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c([O-])c1 ZINC000293829378 433886885 /nfs/dbraw/zinc/88/68/85/433886885.db2.gz SIWBIUDTWAYUII-HNNXBMFYSA-N 0 3 322.412 3.441 20 10 DGCDHN CCn1cc([C@@H](C)NCc2cc(Cl)cc(OC)c2O)cn1 ZINC000294966056 434156585 /nfs/dbraw/zinc/15/65/85/434156585.db2.gz XATCXKGQKWNOLI-SNVBAGLBSA-N 0 3 309.797 3.121 20 10 DGCDHN CN(C)c1ccc(CN(C)[C@H](CO)c2ccccc2)cc1F ZINC000295076033 434183213 /nfs/dbraw/zinc/18/32/13/434183213.db2.gz PTSFLDHQIRIICW-GOSISDBHSA-N 0 3 302.393 3.057 20 10 DGCDHN O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000378492081 434201088 /nfs/dbraw/zinc/20/10/88/434201088.db2.gz GCKSKWIJSMZDMK-UHFFFAOYSA-N 0 3 316.445 3.007 20 10 DGCDHN O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000378492081 434201096 /nfs/dbraw/zinc/20/10/96/434201096.db2.gz GCKSKWIJSMZDMK-UHFFFAOYSA-N 0 3 316.445 3.007 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2[O-])[C@@]12CCCO2 ZINC000364338596 434266408 /nfs/dbraw/zinc/26/64/08/434266408.db2.gz BDAVBMJSUJENQV-SPUZQDLCSA-N 0 3 305.418 3.160 20 10 DGCDHN COc1ccc([C@H](NCc2cccc(OC)c2O)C2CC2)cn1 ZINC000527842284 295139150 /nfs/dbraw/zinc/13/91/50/295139150.db2.gz WNNFLUCBXFFZJY-QGZVFWFLSA-N 0 3 314.385 3.045 20 10 DGCDHN CCOc1cccc(C[NH+]2CCC(OCC3CC3)CC2)c1[O-] ZINC000371335614 434672891 /nfs/dbraw/zinc/67/28/91/434672891.db2.gz LKGDXSJYQGRZMH-UHFFFAOYSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc([C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)OC)c1 ZINC000527924355 435017591 /nfs/dbraw/zinc/01/75/91/435017591.db2.gz GUAROTVBRGQKJW-SJLPKXTDSA-N 0 3 313.397 3.365 20 10 DGCDHN CCN(CC)C(=O)C[C@@H](C)NCc1c(C)c2ccccc2n1C ZINC000475188872 435183150 /nfs/dbraw/zinc/18/31/50/435183150.db2.gz BTEGDDNVQLEJNK-CQSZACIVSA-N 0 3 315.461 3.223 20 10 DGCDHN COc1cc(Cl)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[O-] ZINC000368043826 332216957 /nfs/dbraw/zinc/21/69/57/332216957.db2.gz QDXOWTXZNOJXMU-WFASDCNBSA-N 0 3 324.852 3.113 20 10 DGCDHN COc1ccc(O)c(CN(C)CCOc2ccccc2F)c1 ZINC000179620482 534198002 /nfs/dbraw/zinc/19/80/02/534198002.db2.gz QDKPZDOZFKGPPY-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN CCN(CC)[C@H](C[NH2+]Cc1cccc(C)c1[O-])c1ccco1 ZINC000181256018 520866571 /nfs/dbraw/zinc/86/65/71/520866571.db2.gz XISCLJSMOWDXNG-MRXNPFEDSA-N 0 3 302.418 3.466 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179938322 521057802 /nfs/dbraw/zinc/05/78/02/521057802.db2.gz MZJLKAXHTZRSFD-RDJZCZTQSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179938322 521057810 /nfs/dbraw/zinc/05/78/10/521057810.db2.gz MZJLKAXHTZRSFD-RDJZCZTQSA-N 0 3 318.461 3.217 20 10 DGCDHN COc1cc(O)c(CN[C@@H]2CCCc3occc32)cc1OC ZINC000182801794 522782420 /nfs/dbraw/zinc/78/24/20/522782420.db2.gz XUFFWXKXQHGEGS-CYBMUJFWSA-N 0 3 303.358 3.170 20 10 DGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC(C)(C)O ZINC000183074377 523271978 /nfs/dbraw/zinc/27/19/78/523271978.db2.gz LPUFZYGOCDCPSL-UHFFFAOYSA-N 0 3 315.413 3.174 20 10 DGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC(C)(C)O ZINC000183074377 523271982 /nfs/dbraw/zinc/27/19/82/523271982.db2.gz LPUFZYGOCDCPSL-UHFFFAOYSA-N 0 3 315.413 3.174 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000186189792 524772610 /nfs/dbraw/zinc/77/26/10/524772610.db2.gz RZMZDNBRABRPQU-KPZWWZAWSA-N 0 3 319.376 3.098 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000127151770 525339465 /nfs/dbraw/zinc/33/94/65/525339465.db2.gz KPWSEKDBMXQMCP-OAHLLOKOSA-N 0 3 322.412 3.474 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000127151770 525339475 /nfs/dbraw/zinc/33/94/75/525339475.db2.gz KPWSEKDBMXQMCP-OAHLLOKOSA-N 0 3 322.412 3.474 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000264932731 525352021 /nfs/dbraw/zinc/35/20/21/525352021.db2.gz BLSCFJZTQUQHKB-CYBMUJFWSA-N 0 3 310.397 3.436 20 10 DGCDHN C[C@H](NC[C@@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000268767386 525380954 /nfs/dbraw/zinc/38/09/54/525380954.db2.gz CLSCURWQLZSVMA-SCLBCKFNSA-N 0 3 302.393 3.276 20 10 DGCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc([S@@](C)=O)cc1 ZINC000268897386 525531032 /nfs/dbraw/zinc/53/10/32/525531032.db2.gz ZDTQKOQIELWCMB-MCMMXHMISA-N 0 3 315.438 3.210 20 10 DGCDHN Oc1ccccc1CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190022189 526372504 /nfs/dbraw/zinc/37/25/04/526372504.db2.gz ABAVOJDLWMFKTC-UHFFFAOYSA-N 0 3 319.351 3.154 20 10 DGCDHN Cn1c2ccccc2nc1CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000180924046 527114025 /nfs/dbraw/zinc/11/40/25/527114025.db2.gz VPHDDHOQVPVRLN-UHFFFAOYSA-N 0 3 313.376 3.140 20 10 DGCDHN CCO[C@@H]1C[C@@H](NCc2c(C)c3ccccc3n2C)[C@H]1SC ZINC000459506328 535409578 /nfs/dbraw/zinc/40/95/78/535409578.db2.gz PQSHFBGKJMHIOC-ZTFGCOKTSA-N 0 3 318.486 3.485 20 10 DGCDHN CCOCCN(CC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299337286 535584712 /nfs/dbraw/zinc/58/47/12/535584712.db2.gz KZEWJANICYLTTD-UHFFFAOYSA-N 0 3 320.477 3.160 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1 ZINC000288480245 535752263 /nfs/dbraw/zinc/75/22/63/535752263.db2.gz GKJWJBQAHMQURH-UGSOOPFHSA-N 0 3 301.386 3.003 20 10 DGCDHN COC[C@@H](CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000272629789 536628838 /nfs/dbraw/zinc/62/88/38/536628838.db2.gz AONVOYZAEZIICG-GOEBONIOSA-N 0 3 324.440 3.128 20 10 DGCDHN COc1ccc(CC[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000119929925 536842166 /nfs/dbraw/zinc/84/21/66/536842166.db2.gz MDNUOBKHBBOOPM-CYBMUJFWSA-N 0 3 301.386 3.303 20 10 DGCDHN CN(C)CCOc1ccc(N(C)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000732410673 574574008 /nfs/dbraw/zinc/57/40/08/574574008.db2.gz GGTLVTJWWPTBJD-LBPRGKRZSA-N 0 3 317.260 3.257 20 10 DGCDHN CCCN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000732590282 574576469 /nfs/dbraw/zinc/57/64/69/574576469.db2.gz MEOKKFWFOKCHGF-UHFFFAOYSA-N 0 3 301.478 3.205 20 10 DGCDHN CSC[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000736361187 574745634 /nfs/dbraw/zinc/74/56/34/574745634.db2.gz PKYVWVJGIHOLNG-CYBMUJFWSA-N 0 3 323.462 3.426 20 10 DGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000738103936 574859385 /nfs/dbraw/zinc/85/93/85/574859385.db2.gz HVOCOXQWBCMIJY-INIZCTEOSA-N 0 3 311.429 3.001 20 10 DGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000738103936 574859388 /nfs/dbraw/zinc/85/93/88/574859388.db2.gz HVOCOXQWBCMIJY-INIZCTEOSA-N 0 3 311.429 3.001 20 10 DGCDHN CCN(CC)c1ccc(CN(C)CCOC[C@H]2CCCO2)cc1 ZINC000741244840 574954134 /nfs/dbraw/zinc/95/41/34/574954134.db2.gz KKWQTFBZFZPRJR-LJQANCHMSA-N 0 3 320.477 3.160 20 10 DGCDHN CCN(CC)c1ccc(CN(C)CCC(=O)OC(C)C)cc1 ZINC000743839293 575064841 /nfs/dbraw/zinc/06/48/41/575064841.db2.gz BSXRNMNPIFTMGV-UHFFFAOYSA-N 0 3 306.450 3.306 20 10 DGCDHN CCOc1ccc(C[NH2+]CCCC(=O)OC(C)(C)C)c([O-])c1 ZINC000744449937 575343941 /nfs/dbraw/zinc/34/39/41/575343941.db2.gz IWRKMYNWEFTNET-UHFFFAOYSA-N 0 3 309.406 3.002 20 10 DGCDHN CC(C)(C)N1CCC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000748081839 575559751 /nfs/dbraw/zinc/55/97/51/575559751.db2.gz DXHPQZPCHRWEPL-UHFFFAOYSA-N 0 3 313.445 3.247 20 10 DGCDHN CC(C)(C)N1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000748081839 575559753 /nfs/dbraw/zinc/55/97/53/575559753.db2.gz DXHPQZPCHRWEPL-UHFFFAOYSA-N 0 3 313.445 3.247 20 10 DGCDHN CC(C)(C)[N@@H+]1CCCN(Cc2c([O-])ccc3ccncc32)CC1 ZINC000748081839 575559755 /nfs/dbraw/zinc/55/97/55/575559755.db2.gz DXHPQZPCHRWEPL-UHFFFAOYSA-N 0 3 313.445 3.247 20 10 DGCDHN CC(C)(C)[N@H+]1CCCN(Cc2c([O-])ccc3ccncc32)CC1 ZINC000748081839 575559759 /nfs/dbraw/zinc/55/97/59/575559759.db2.gz DXHPQZPCHRWEPL-UHFFFAOYSA-N 0 3 313.445 3.247 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c([O-])c1 ZINC000748246812 575575337 /nfs/dbraw/zinc/57/53/37/575575337.db2.gz PRUNIMSUGWCFEW-QGZVFWFLSA-N 0 3 317.433 3.401 20 10 DGCDHN CCCN(Cc1cc(C)c(C(=O)OC)o1)Cc1ccccc1O ZINC000750874707 575756984 /nfs/dbraw/zinc/75/69/84/575756984.db2.gz IAOZYMFIMDTVRM-UHFFFAOYSA-N 0 3 317.385 3.492 20 10 DGCDHN CN(C)c1ccc(CN(C)CCOc2ccc(F)cc2)cc1 ZINC000726981475 576091367 /nfs/dbraw/zinc/09/13/67/576091367.db2.gz TURASJAAMDKWNO-UHFFFAOYSA-N 0 3 302.393 3.403 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853553351 620709750 /nfs/dbraw/zinc/70/97/50/620709750.db2.gz DNUDELYALYGMKL-RDTXWAMCSA-N 0 3 317.429 3.220 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853553351 620709752 /nfs/dbraw/zinc/70/97/52/620709752.db2.gz DNUDELYALYGMKL-RDTXWAMCSA-N 0 3 317.429 3.220 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CC3=CCCOC3)c2c1 ZINC000853561443 620709793 /nfs/dbraw/zinc/70/97/93/620709793.db2.gz CZQCHDVRRAINQS-UHFFFAOYSA-N 0 3 313.397 3.333 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CC3=CCCOC3)c2c1 ZINC000853561443 620709795 /nfs/dbraw/zinc/70/97/95/620709795.db2.gz CZQCHDVRRAINQS-UHFFFAOYSA-N 0 3 313.397 3.333 20 10 DGCDHN CC(C)=C(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245781 617759804 /nfs/dbraw/zinc/75/98/04/617759804.db2.gz JAWPFKTYDNJAFC-GOSISDBHSA-N 0 3 317.477 3.218 20 10 DGCDHN CCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252138 617760407 /nfs/dbraw/zinc/76/04/07/617760407.db2.gz GTTFVJXIUISCHD-KRWDZBQOSA-N 0 3 305.466 3.052 20 10 DGCDHN CC[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000154994408 620752948 /nfs/dbraw/zinc/75/29/48/620752948.db2.gz XLIZSLNSCVYUTC-LJQANCHMSA-N 0 3 310.441 3.491 20 10 DGCDHN CCN(Cc1cn(C)nc1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000891437239 617798845 /nfs/dbraw/zinc/79/88/45/617798845.db2.gz UOXQRWNJXIYUHF-UHFFFAOYSA-N 0 3 312.461 3.386 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891853214 617912370 /nfs/dbraw/zinc/91/23/70/617912370.db2.gz FINDXPBEQZXSAE-HZPDHXFCSA-N 0 3 323.408 3.238 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891853214 617912374 /nfs/dbraw/zinc/91/23/74/617912374.db2.gz FINDXPBEQZXSAE-HZPDHXFCSA-N 0 3 323.408 3.238 20 10 DGCDHN CCN(CCC(F)(F)F)Cc1ccc(OC)c(OC)c1O ZINC000891860877 617913985 /nfs/dbraw/zinc/91/39/85/617913985.db2.gz DENASOIMEPDSJQ-UHFFFAOYSA-N 0 3 307.312 3.184 20 10 DGCDHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840889852 618144322 /nfs/dbraw/zinc/14/43/22/618144322.db2.gz IUXAXALYSRXJPA-JKSUJKDBSA-N 0 3 317.477 3.241 20 10 DGCDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(N(C)C)cc1 ZINC000920258065 620792853 /nfs/dbraw/zinc/79/28/53/620792853.db2.gz GLCBVKLWUHFVEL-JQHSSLGASA-N 0 3 316.445 3.059 20 10 DGCDHN COCC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccco1 ZINC000894430418 618325656 /nfs/dbraw/zinc/32/56/56/618325656.db2.gz FCUCWVITGWSEND-CQSZACIVSA-N 0 3 305.374 3.170 20 10 DGCDHN C[C@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 ZINC000925855856 618647302 /nfs/dbraw/zinc/64/73/02/618647302.db2.gz IFDXQPUQLIDSTE-WFASDCNBSA-N 0 3 315.383 3.088 20 10 DGCDHN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000894092797 618708485 /nfs/dbraw/zinc/70/84/85/618708485.db2.gz BYQSZQFJSDSPRI-PXAZEXFGSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000894092797 618708486 /nfs/dbraw/zinc/70/84/86/618708486.db2.gz BYQSZQFJSDSPRI-PXAZEXFGSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000894092797 618708488 /nfs/dbraw/zinc/70/84/88/618708488.db2.gz BYQSZQFJSDSPRI-PXAZEXFGSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000894092797 618708489 /nfs/dbraw/zinc/70/84/89/618708489.db2.gz BYQSZQFJSDSPRI-PXAZEXFGSA-N 0 3 322.399 3.119 20 10 DGCDHN Cc1noc2ncc(CNCc3ccc(N(C)C)cc3C)cc12 ZINC000894256441 618741709 /nfs/dbraw/zinc/74/17/09/618741709.db2.gz QPYUWISTWRXRQW-UHFFFAOYSA-N 0 3 310.401 3.195 20 10 DGCDHN COC1(OC)CC[C@H]1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000925009174 618763105 /nfs/dbraw/zinc/76/31/05/618763105.db2.gz ARLXDZSCJQWSHG-GOSISDBHSA-N 0 3 318.461 3.164 20 10 DGCDHN COc1cc(F)cc(CNCc2cc(C)cc(OC)c2O)c1 ZINC000894360892 618771967 /nfs/dbraw/zinc/77/19/67/618771967.db2.gz BCNXJKIJAUQQJA-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN COC1(OC)CC2(C[N@H+](Cc3ccc(C)cc3[O-])[C@@H]2C(C)C)C1 ZINC000895987292 618857731 /nfs/dbraw/zinc/85/77/31/618857731.db2.gz CFKIMGKUAGJWTC-QGZVFWFLSA-N 0 3 319.445 3.310 20 10 DGCDHN COC1(OC)CC2(C[N@@H+](Cc3ccc(C)cc3[O-])[C@@H]2C(C)C)C1 ZINC000895987292 618857734 /nfs/dbraw/zinc/85/77/34/618857734.db2.gz CFKIMGKUAGJWTC-QGZVFWFLSA-N 0 3 319.445 3.310 20 10 DGCDHN COc1ccc2nc(CNCc3ccccc3O)sc2c1 ZINC000788959754 625304904 /nfs/dbraw/zinc/30/49/04/625304904.db2.gz BWKKWBPVHUOWHB-UHFFFAOYSA-N 0 3 300.383 3.300 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000897234840 619034140 /nfs/dbraw/zinc/03/41/40/619034140.db2.gz RCBLBIWQRLFYEZ-GOSISDBHSA-N 0 3 301.361 3.325 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2cccnc2)c1[O-] ZINC000897969251 619200524 /nfs/dbraw/zinc/20/05/24/619200524.db2.gz HRGQDNUHCUFWNC-NSHDSACASA-N 0 3 306.793 3.170 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@H](Cc3nccs3)C2)cc1F ZINC000898070826 619212327 /nfs/dbraw/zinc/21/23/27/619212327.db2.gz ADLYSLSKUAMMLT-AWEZNQCLSA-N 0 3 319.449 3.413 20 10 DGCDHN Cc1nc2ccccn2c1CNCc1ccc(N(C)C)c(F)c1 ZINC000898277164 619231589 /nfs/dbraw/zinc/23/15/89/619231589.db2.gz VTCOLVLQTSJTCY-UHFFFAOYSA-N 0 3 312.392 3.138 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c([O-])c1 ZINC000926959027 619252640 /nfs/dbraw/zinc/25/26/40/619252640.db2.gz AINKUILQSXSWPW-RISCZKNCSA-N 0 3 304.356 3.234 20 10 DGCDHN COC(=O)C1(CCCC[NH2+]Cc2c(C)cccc2[O-])CCC1 ZINC000898409347 619273429 /nfs/dbraw/zinc/27/34/29/619273429.db2.gz XAWDFZHCOMRJBF-UHFFFAOYSA-N 0 3 305.418 3.304 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)c2c1c(F)ccc2[O-] ZINC000902437011 619635856 /nfs/dbraw/zinc/63/58/56/619635856.db2.gz GHLKTPQPWANSFV-FFONGLNXSA-N 0 3 312.388 3.294 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1ccnn1-c1ccccc1)CC2 ZINC000903168050 619732550 /nfs/dbraw/zinc/73/25/50/619732550.db2.gz CZDAAFZBYIDNCP-GOSISDBHSA-N 0 3 319.408 3.398 20 10 DGCDHN CCN(C(=O)C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000903195493 619734062 /nfs/dbraw/zinc/73/40/62/619734062.db2.gz UKFFQVXYMOZEQR-INIZCTEOSA-N 0 3 310.397 3.022 20 10 DGCDHN CC[C@@](O)(CCC(F)(F)F)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903256122 619745862 /nfs/dbraw/zinc/74/58/62/619745862.db2.gz HKDSUBPMNTXTAK-IUODEOHRSA-N 0 3 317.351 3.453 20 10 DGCDHN C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1 ZINC000903447834 619778118 /nfs/dbraw/zinc/77/81/18/619778118.db2.gz CWYJLXUHWLVXBY-GUYCJALGSA-N 0 3 318.490 3.163 20 10 DGCDHN Cc1cccc(C)c1C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000904439603 619922823 /nfs/dbraw/zinc/92/28/23/619922823.db2.gz OQCPTKFJBRQZPJ-GOSISDBHSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1cccc(C)c1C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000904439603 619922825 /nfs/dbraw/zinc/92/28/25/619922825.db2.gz OQCPTKFJBRQZPJ-GOSISDBHSA-N 0 3 313.397 3.067 20 10 DGCDHN OCC[C@@H](NCc1ccc2c(c1)CCCO2)c1cccs1 ZINC000921771074 620947399 /nfs/dbraw/zinc/94/73/99/620947399.db2.gz PFUXAANGTLIPTJ-OAHLLOKOSA-N 0 3 303.427 3.286 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c([O-])c1 ZINC000922703413 621085980 /nfs/dbraw/zinc/08/59/80/621085980.db2.gz VRLXSIVCQIAUFU-ZDUSSCGKSA-N 0 3 313.397 3.404 20 10 DGCDHN CCOC(=O)C1=CC[C@@H]([NH2+][C@H](CC)c2ccc(C)cc2[O-])C1 ZINC000858508724 621200113 /nfs/dbraw/zinc/20/01/13/621200113.db2.gz OPDLDEJURATYJE-GDBMZVCRSA-N 0 3 303.402 3.393 20 10 DGCDHN Fc1cc(CNCc2cccs2)cc(F)c1N1CCOCC1 ZINC000839146325 621333072 /nfs/dbraw/zinc/33/30/72/621333072.db2.gz COGAZHKVYQWBGI-UHFFFAOYSA-N 0 3 324.396 3.153 20 10 DGCDHN CN(Cc1cccs1)c1ccc(CN2CC(CCO)C2)cc1 ZINC000839136948 621339947 /nfs/dbraw/zinc/33/99/47/621339947.db2.gz VBXVTQWLTVSIDX-UHFFFAOYSA-N 0 3 316.470 3.199 20 10 DGCDHN Cc1cccc(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1O ZINC000839171777 621342753 /nfs/dbraw/zinc/34/27/53/621342753.db2.gz JXFIQCIJFJCJFL-XJKSGUPXSA-N 0 3 319.426 3.125 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000753589605 621452456 /nfs/dbraw/zinc/45/24/56/621452456.db2.gz KFQXQKVDLPTODP-OAHLLOKOSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000753589605 621452458 /nfs/dbraw/zinc/45/24/58/621452458.db2.gz KFQXQKVDLPTODP-OAHLLOKOSA-N 0 3 317.360 3.193 20 10 DGCDHN C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000754119895 621489177 /nfs/dbraw/zinc/48/91/77/621489177.db2.gz FAJUYNPOXRDSOP-DVOMOZLQSA-N 0 3 308.853 3.256 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2ccccc2N(C)C)c([O-])c1 ZINC000754348225 621504423 /nfs/dbraw/zinc/50/44/23/621504423.db2.gz FBAHXLNSEOKMEH-UHFFFAOYSA-N 0 3 300.402 3.147 20 10 DGCDHN CN(C)c1cc(F)c(CN(C)CCC2CCOCC2)cc1F ZINC000862248236 621567244 /nfs/dbraw/zinc/56/72/44/621567244.db2.gz UDWOYNFSBHHLBL-UHFFFAOYSA-N 0 3 312.404 3.279 20 10 DGCDHN COc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1O ZINC000862367065 621579262 /nfs/dbraw/zinc/57/92/62/621579262.db2.gz UQBKKGBUJXDICR-UHFFFAOYSA-N 0 3 322.355 3.035 20 10 DGCDHN C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363669 621631267 /nfs/dbraw/zinc/63/12/67/621631267.db2.gz QCZQDTLRLTUVAM-ZIAGYGMSSA-N 0 3 321.421 3.216 20 10 DGCDHN Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756378449 621633096 /nfs/dbraw/zinc/63/30/96/621633096.db2.gz DTIYFVQZWKAVLV-BMIGLBTASA-N 0 3 317.408 3.262 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCCCn2ccnc2)c2c1c(F)ccc2[O-] ZINC000756458238 621639544 /nfs/dbraw/zinc/63/95/44/621639544.db2.gz KQTADRPKFDZNAU-GXTWGEPZSA-N 0 3 303.381 3.346 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCOCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756467949 621639961 /nfs/dbraw/zinc/63/99/61/621639961.db2.gz AXBNFMOACGVLGA-WPRPVWTQSA-N 0 3 307.287 3.248 20 10 DGCDHN COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756533660 621645452 /nfs/dbraw/zinc/64/54/52/621645452.db2.gz GDJPSQLEHIDKOA-GFCCVEGCSA-N 0 3 304.365 3.403 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756547681 621646993 /nfs/dbraw/zinc/64/69/93/621646993.db2.gz GFLUYATTWWXVJS-XPKDYRNWSA-N 0 3 315.388 3.273 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756586270 621651202 /nfs/dbraw/zinc/65/12/02/621651202.db2.gz QDPRQKHYKWTPDS-INWMFGNUSA-N 0 3 315.388 3.273 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756588145 621651248 /nfs/dbraw/zinc/65/12/48/621651248.db2.gz FLJJDNGVAYIDMZ-XYQMPLONSA-N 0 3 313.438 3.216 20 10 DGCDHN CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000756663115 621657139 /nfs/dbraw/zinc/65/71/39/621657139.db2.gz GQGDRAGILAURAR-CYBMUJFWSA-N 0 3 317.433 3.164 20 10 DGCDHN CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756708341 621659735 /nfs/dbraw/zinc/65/97/35/621659735.db2.gz OSYUBZVSQCOBSV-GFCCVEGCSA-N 0 3 324.396 3.191 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c([O-])c1 ZINC000756742135 621661956 /nfs/dbraw/zinc/66/19/56/621661956.db2.gz ZJMHBJHTSLYUFN-ZBEGNZNMSA-N 0 3 307.340 3.363 20 10 DGCDHN Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)[nH]n1 ZINC000756764330 621662828 /nfs/dbraw/zinc/66/28/28/621662828.db2.gz GGSHYFICUVYOAF-BFVZDQMLSA-N 0 3 303.381 3.332 20 10 DGCDHN Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)n[nH]1 ZINC000756764330 621662830 /nfs/dbraw/zinc/66/28/30/621662830.db2.gz GGSHYFICUVYOAF-BFVZDQMLSA-N 0 3 303.381 3.332 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)c2c1c(F)ccc2[O-] ZINC000756785955 621664240 /nfs/dbraw/zinc/66/42/40/621664240.db2.gz HCVLLGGNJFRMRW-YRGRVCCFSA-N 0 3 321.392 3.355 20 10 DGCDHN CC(C)OCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000757978820 621750682 /nfs/dbraw/zinc/75/06/82/621750682.db2.gz VZMWYVJUDQLXJR-UHFFFAOYSA-N 0 3 321.421 3.100 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)CC(F)F ZINC000758616109 621791687 /nfs/dbraw/zinc/79/16/87/621791687.db2.gz QAQMBLXRLHTVBE-OAHLLOKOSA-N 0 3 307.340 3.165 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000865688645 621977876 /nfs/dbraw/zinc/97/78/76/621977876.db2.gz IZJUMGPYIVEKSZ-INIZCTEOSA-N 0 3 307.340 3.165 20 10 DGCDHN CCOCc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)ccc1OC ZINC000865754567 621988753 /nfs/dbraw/zinc/98/87/53/621988753.db2.gz WVUNDCFIJDNOQD-CHWSQXEVSA-N 0 3 303.324 3.272 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1[O-] ZINC000761203202 621993635 /nfs/dbraw/zinc/99/36/35/621993635.db2.gz KWYNMPPILHLFIQ-SMDDNHRTSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1[O-] ZINC000761203202 621993637 /nfs/dbraw/zinc/99/36/37/621993637.db2.gz KWYNMPPILHLFIQ-SMDDNHRTSA-N 0 3 311.809 3.055 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCC23CCOCC3)c([O-])c1 ZINC000865778348 621993648 /nfs/dbraw/zinc/99/36/48/621993648.db2.gz IHFWHEAFVXAMQJ-HNNXBMFYSA-N 0 3 305.418 3.087 20 10 DGCDHN COc1cc(CN[C@H](C)c2ccnn2C)c(O)c(C(C)(C)C)c1 ZINC000865837512 622004635 /nfs/dbraw/zinc/00/46/35/622004635.db2.gz HIFZWJQYZRVINS-GFCCVEGCSA-N 0 3 317.433 3.283 20 10 DGCDHN c1cnc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000866241172 622074111 /nfs/dbraw/zinc/07/41/11/622074111.db2.gz XTWGVLWDVMRLGT-FQEVSTJZSA-N 0 3 323.440 3.085 20 10 DGCDHN CC[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000866437761 622118206 /nfs/dbraw/zinc/11/82/06/622118206.db2.gz NWNNZUOCHYFLER-HNNXBMFYSA-N 0 3 323.433 3.100 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000866465210 622122976 /nfs/dbraw/zinc/12/29/76/622122976.db2.gz PQIQMOAMOVPCGM-MJVIPROJSA-N 0 3 304.356 3.105 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccccc1[O-] ZINC000866533741 622133942 /nfs/dbraw/zinc/13/39/42/622133942.db2.gz VAHWVORBKSNPDO-HOCLYGCPSA-N 0 3 305.418 3.019 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1[O-] ZINC000763480560 622147454 /nfs/dbraw/zinc/14/74/54/622147454.db2.gz NYEGESAOXIUJLU-ZDUSSCGKSA-N 0 3 319.788 3.017 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000763533067 622150677 /nfs/dbraw/zinc/15/06/77/622150677.db2.gz YYADCPKSIFBOFW-WMLDXEAASA-N 0 3 307.434 3.474 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C(F)(F)F)C1CCCC1 ZINC000763834286 622164349 /nfs/dbraw/zinc/16/43/49/622164349.db2.gz LBNRBBXAJDHYLS-AWEZNQCLSA-N 0 3 303.324 3.060 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C(F)(F)F)C1CCCC1 ZINC000763834286 622164352 /nfs/dbraw/zinc/16/43/52/622164352.db2.gz LBNRBBXAJDHYLS-AWEZNQCLSA-N 0 3 303.324 3.060 20 10 DGCDHN CCOc1ccc(CNCc2ccc3c(n2)CCCC3)c(O)c1 ZINC000767728493 622419238 /nfs/dbraw/zinc/41/92/38/622419238.db2.gz PWYUXCZHHPDDTO-UHFFFAOYSA-N 0 3 312.413 3.355 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]2CCCC[C@H]12 ZINC000768439147 622456106 /nfs/dbraw/zinc/45/61/06/622456106.db2.gz ILEWYCVLSXVEGR-BQUDOFGOSA-N 0 3 317.429 3.219 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]2CCCC[C@H]12 ZINC000768439147 622456108 /nfs/dbraw/zinc/45/61/08/622456108.db2.gz ILEWYCVLSXVEGR-BQUDOFGOSA-N 0 3 317.429 3.219 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@H]2c2cccnc2)cc1OC ZINC000768441541 622456442 /nfs/dbraw/zinc/45/64/42/622456442.db2.gz JKWHIROKAUQZAI-HNNXBMFYSA-N 0 3 314.385 3.142 20 10 DGCDHN CC(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768449280 622457025 /nfs/dbraw/zinc/45/70/25/622457025.db2.gz ZABGVBPIQVSICB-GUYCJALGSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768449280 622457027 /nfs/dbraw/zinc/45/70/27/622457027.db2.gz ZABGVBPIQVSICB-GUYCJALGSA-N 0 3 305.418 3.076 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCOC1 ZINC000768542184 622463553 /nfs/dbraw/zinc/46/35/53/622463553.db2.gz OHHMBKMNSDTTGB-HNNXBMFYSA-N 0 3 301.386 3.414 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCOC1 ZINC000768542184 622463556 /nfs/dbraw/zinc/46/35/56/622463556.db2.gz OHHMBKMNSDTTGB-HNNXBMFYSA-N 0 3 301.386 3.414 20 10 DGCDHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000769686883 622549426 /nfs/dbraw/zinc/54/94/26/622549426.db2.gz KFXXZXAAMXTIAA-STQMWFEESA-N 0 3 308.422 3.174 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccsc2)c2c1c(F)ccc2[O-] ZINC000769990658 622586857 /nfs/dbraw/zinc/58/68/57/622586857.db2.gz VUEFMRMRDPGDHF-WQAKAFBOSA-N 0 3 307.390 3.464 20 10 DGCDHN CCN(CCC[N@H+](C)Cc1ccccc1[O-])CC(F)(F)F ZINC000771762977 622794442 /nfs/dbraw/zinc/79/44/42/622794442.db2.gz RGHRGFBAEBJYLQ-UHFFFAOYSA-N 0 3 304.356 3.098 20 10 DGCDHN CCN(CCC[N@@H+](C)Cc1ccccc1[O-])CC(F)(F)F ZINC000771762977 622794445 /nfs/dbraw/zinc/79/44/45/622794445.db2.gz RGHRGFBAEBJYLQ-UHFFFAOYSA-N 0 3 304.356 3.098 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc[nH]1 ZINC000773115859 622986450 /nfs/dbraw/zinc/98/64/50/622986450.db2.gz AITPMOKSFVZDHK-UONOGXRCSA-N 0 3 317.408 3.402 20 10 DGCDHN CCN(C)c1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000773757967 623068926 /nfs/dbraw/zinc/06/89/26/623068926.db2.gz SPOUCSZEJCBGNZ-LSDHHAIUSA-N 0 3 316.367 3.030 20 10 DGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCC(C)CC1 ZINC000774483377 623151312 /nfs/dbraw/zinc/15/13/12/623151312.db2.gz KEFFLRHSIQTKHT-HOTGVXAUSA-N 0 3 317.477 3.050 20 10 DGCDHN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000775178231 623238404 /nfs/dbraw/zinc/23/84/04/623238404.db2.gz SLCFGXQOODFFHU-INIZCTEOSA-N 0 3 313.825 3.181 20 10 DGCDHN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000775178231 623238409 /nfs/dbraw/zinc/23/84/09/623238409.db2.gz SLCFGXQOODFFHU-INIZCTEOSA-N 0 3 313.825 3.181 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)c1ccccc1[O-] ZINC000775525838 623285225 /nfs/dbraw/zinc/28/52/25/623285225.db2.gz ODVWRKWAOUPCAZ-WMLDXEAASA-N 0 3 313.397 3.445 20 10 DGCDHN C[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000775832067 623338681 /nfs/dbraw/zinc/33/86/81/623338681.db2.gz WYWODTPVPYUFQN-CYBMUJFWSA-N 0 3 315.392 3.181 20 10 DGCDHN Cc1cc(C)c2c(c1)CN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000776774211 623461657 /nfs/dbraw/zinc/46/16/57/623461657.db2.gz HWAOPSSVMWTVBO-UHFFFAOYSA-N 0 3 311.381 3.296 20 10 DGCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000776864624 623472540 /nfs/dbraw/zinc/47/25/40/623472540.db2.gz MIGNGHHZHWNFTG-KFWWJZLASA-N 0 3 320.433 3.300 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c([O-])c1 ZINC000777439504 623525517 /nfs/dbraw/zinc/52/55/17/623525517.db2.gz IYBBJJRKXGGHFF-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c([O-])c1 ZINC000777439504 623525523 /nfs/dbraw/zinc/52/55/23/623525523.db2.gz IYBBJJRKXGGHFF-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000876512513 623631190 /nfs/dbraw/zinc/63/11/90/623631190.db2.gz QLKWRJYKJZRXEO-OAHLLOKOSA-N 0 3 322.412 3.474 20 10 DGCDHN Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000876512513 623631193 /nfs/dbraw/zinc/63/11/93/623631193.db2.gz QLKWRJYKJZRXEO-OAHLLOKOSA-N 0 3 322.412 3.474 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876652317 623670274 /nfs/dbraw/zinc/67/02/74/623670274.db2.gz ARNRBHGBRPSUFL-CQSZACIVSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876652317 623670277 /nfs/dbraw/zinc/67/02/77/623670277.db2.gz ARNRBHGBRPSUFL-CQSZACIVSA-N 0 3 320.433 3.047 20 10 DGCDHN CCCN(Cc1cnc(CCOC)s1)Cc1ccccc1O ZINC000876654592 623671516 /nfs/dbraw/zinc/67/15/16/623671516.db2.gz KARITCYOPTUQRA-UHFFFAOYSA-N 0 3 320.458 3.450 20 10 DGCDHN CCC[N@H+](Cc1cnc(CCOC)s1)Cc1ccccc1[O-] ZINC000876654592 623671517 /nfs/dbraw/zinc/67/15/17/623671517.db2.gz KARITCYOPTUQRA-UHFFFAOYSA-N 0 3 320.458 3.450 20 10 DGCDHN CCC[N@@H+](Cc1cnc(CCOC)s1)Cc1ccccc1[O-] ZINC000876654592 623671518 /nfs/dbraw/zinc/67/15/18/623671518.db2.gz KARITCYOPTUQRA-UHFFFAOYSA-N 0 3 320.458 3.450 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000876719870 623688817 /nfs/dbraw/zinc/68/88/17/623688817.db2.gz XOFSQNWOFZYAGA-OAHLLOKOSA-N 0 3 318.461 3.075 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000876719870 623688820 /nfs/dbraw/zinc/68/88/20/623688820.db2.gz XOFSQNWOFZYAGA-OAHLLOKOSA-N 0 3 318.461 3.075 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c([O-])c1 ZINC000876790810 623706984 /nfs/dbraw/zinc/70/69/84/623706984.db2.gz YDHTUFIIDWQUGH-SFHVURJKSA-N 0 3 319.445 3.251 20 10 DGCDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000779000407 623719530 /nfs/dbraw/zinc/71/95/30/623719530.db2.gz VIIZHNZFPLBWCK-CKEIUWERSA-N 0 3 306.425 3.369 20 10 DGCDHN COCC1([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779048689 623724718 /nfs/dbraw/zinc/72/47/18/623724718.db2.gz ZQCLCCNZONSGAR-SNVBAGLBSA-N 0 3 314.223 3.293 20 10 DGCDHN COc1ccc2[nH]cc(CC[NH2+]Cc3cc(F)ccc3[O-])c2c1 ZINC000779078322 623727770 /nfs/dbraw/zinc/72/77/70/623727770.db2.gz MDQVQLYBTNTQPD-UHFFFAOYSA-N 0 3 314.360 3.354 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c([O-])c1 ZINC000876888671 623737177 /nfs/dbraw/zinc/73/71/77/623737177.db2.gz UUYLFLOCJVUZHS-INIZCTEOSA-N 0 3 300.402 3.220 20 10 DGCDHN COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(C)cc3[O-])C2)c1 ZINC000877005264 623764558 /nfs/dbraw/zinc/76/45/58/623764558.db2.gz QJSLGJGAEHKZOD-INIZCTEOSA-N 0 3 312.413 3.078 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CCc1nc2c(cccc2F)n1C ZINC000877149990 623808668 /nfs/dbraw/zinc/80/86/68/623808668.db2.gz JAZGEEDMALYDEQ-UHFFFAOYSA-N 0 3 313.376 3.059 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000877163940 623811840 /nfs/dbraw/zinc/81/18/40/623811840.db2.gz WXFCHJZDCLJQRK-HNNXBMFYSA-N 0 3 320.433 3.094 20 10 DGCDHN COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877173971 623817389 /nfs/dbraw/zinc/81/73/89/623817389.db2.gz NCFKMYYAZWTAAZ-HNNXBMFYSA-N 0 3 305.418 3.112 20 10 DGCDHN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877173971 623817394 /nfs/dbraw/zinc/81/73/94/623817394.db2.gz NCFKMYYAZWTAAZ-HNNXBMFYSA-N 0 3 305.418 3.112 20 10 DGCDHN COC(=O)c1csc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000877416457 623874570 /nfs/dbraw/zinc/87/45/70/623874570.db2.gz NAXGKIKQXHZNCQ-LBPRGKRZSA-N 0 3 318.442 3.452 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000877476512 623900624 /nfs/dbraw/zinc/90/06/24/623900624.db2.gz GJNGSYMHHCWZQS-MJGOQNOKSA-N 0 3 315.388 3.096 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c([O-])c1 ZINC000877482455 623904644 /nfs/dbraw/zinc/90/46/44/623904644.db2.gz JBZFPTYPSUVLAN-MRXNPFEDSA-N 0 3 309.768 3.316 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)ccc2N(C)C)c1 ZINC000877534061 623928862 /nfs/dbraw/zinc/92/88/62/623928862.db2.gz WMWCYSRRAPNGPY-LBPRGKRZSA-N 0 3 318.392 3.457 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000877538758 623932734 /nfs/dbraw/zinc/93/27/34/623932734.db2.gz DFFCNUZKPWLVOR-QGZVFWFLSA-N 0 3 303.427 3.340 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000877557919 623939959 /nfs/dbraw/zinc/93/99/59/623939959.db2.gz YZDNYORRPQMIEA-CQSZACIVSA-N 0 3 322.449 3.484 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000877562213 623942240 /nfs/dbraw/zinc/94/22/40/623942240.db2.gz XFTMYGILLVNLQX-OLZOCXBDSA-N 0 3 308.422 3.092 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000877608480 623960173 /nfs/dbraw/zinc/96/01/73/623960173.db2.gz RFZNXWGDIRWQSD-UONOGXRCSA-N 0 3 305.418 3.301 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)[C@H]2CCCCO2)c1[O-] ZINC000877702622 623997810 /nfs/dbraw/zinc/99/78/10/623997810.db2.gz VNLAESFMCGMWIY-CQSZACIVSA-N 0 3 313.825 3.492 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000790737617 625691362 /nfs/dbraw/zinc/69/13/62/625691362.db2.gz NTIHRCKCZCIVIQ-JSGCOSHPSA-N 0 3 321.367 3.172 20 10 DGCDHN CN(C)c1ccc(CN2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC000877762843 624027117 /nfs/dbraw/zinc/02/71/17/624027117.db2.gz KZWDVSIIAWYPGB-IBGZPJMESA-N 0 3 322.456 3.132 20 10 DGCDHN Cc1ccc(CN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c(O)c1 ZINC000877820321 624050986 /nfs/dbraw/zinc/05/09/86/624050986.db2.gz HDYSWXFOJDGFGE-FZMZJTMJSA-N 0 3 303.324 3.242 20 10 DGCDHN CCc1cccc(CN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000877823613 624056646 /nfs/dbraw/zinc/05/66/46/624056646.db2.gz XLPYIQITJYACPJ-FZMZJTMJSA-N 0 3 317.351 3.496 20 10 DGCDHN CO[C@H]1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000878240207 624224380 /nfs/dbraw/zinc/22/43/80/624224380.db2.gz FAFUZUSLZCYWQO-KDYLLFBJSA-N 0 3 301.386 3.412 20 10 DGCDHN CO[C@H]1C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000878240207 624224385 /nfs/dbraw/zinc/22/43/85/624224385.db2.gz FAFUZUSLZCYWQO-KDYLLFBJSA-N 0 3 301.386 3.412 20 10 DGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCOCC3(CC3)C2)c1 ZINC000782299982 624235823 /nfs/dbraw/zinc/23/58/23/624235823.db2.gz HYZMIGREWFUZQX-UHFFFAOYSA-N 0 3 305.418 3.008 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCc2ccccc21 ZINC000879648988 624622587 /nfs/dbraw/zinc/62/25/87/624622587.db2.gz IPNWASAOSJRRLV-ZIAGYGMSSA-N 0 3 310.397 3.021 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1[O-] ZINC000879650581 624624195 /nfs/dbraw/zinc/62/41/95/624624195.db2.gz IFGVGXHQCLTLMR-GJZGRUSLSA-N 0 3 318.461 3.328 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC1CCC(C)CC1 ZINC000879652011 624624265 /nfs/dbraw/zinc/62/42/65/624624265.db2.gz TXJZJNACSMVBOR-GQKFXUNGSA-N 0 3 304.434 3.126 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cccnc1Cl ZINC000879651114 624624578 /nfs/dbraw/zinc/62/45/78/624624578.db2.gz IVAAZCJIEBKTRI-WDEREUQCSA-N 0 3 319.792 3.118 20 10 DGCDHN Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652021 624626409 /nfs/dbraw/zinc/62/64/09/624626409.db2.gz UCFNYDQDEGDIJY-LSDHHAIUSA-N 0 3 312.413 3.056 20 10 DGCDHN COC(C)(C)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000787259974 624992601 /nfs/dbraw/zinc/99/26/01/624992601.db2.gz MKCCREFCAXAPFW-INIZCTEOSA-N 0 3 307.434 3.188 20 10 DGCDHN COC(C)(C)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000787259974 624992603 /nfs/dbraw/zinc/99/26/03/624992603.db2.gz MKCCREFCAXAPFW-INIZCTEOSA-N 0 3 307.434 3.188 20 10 DGCDHN COc1cc([C@H](C)NCc2ccc3c(c2)CCCN3C)ccn1 ZINC000788585881 625221557 /nfs/dbraw/zinc/22/15/57/625221557.db2.gz XGRVHMDHFSSYOC-AWEZNQCLSA-N 0 3 311.429 3.323 20 10 DGCDHN CC1CC[NH+](CCCNCc2c([O-])ccc(Cl)c2F)CC1 ZINC000790946664 625720353 /nfs/dbraw/zinc/72/03/53/625720353.db2.gz FVFBOYRHTJPLCF-UHFFFAOYSA-N 0 3 314.832 3.396 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000790996639 625734726 /nfs/dbraw/zinc/73/47/26/625734726.db2.gz ZKOGFZVMMSYFBW-AWEZNQCLSA-N 0 3 305.418 3.372 20 10 DGCDHN CC(C)CC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000796448949 626050783 /nfs/dbraw/zinc/05/07/83/626050783.db2.gz KVEONPYLSXVPHK-ROUUACIJSA-N 0 3 321.461 3.170 20 10 DGCDHN CC(C)CC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000796448949 626050784 /nfs/dbraw/zinc/05/07/84/626050784.db2.gz KVEONPYLSXVPHK-ROUUACIJSA-N 0 3 321.461 3.170 20 10 DGCDHN CCOc1ccc(CNC(C)(C)c2c(C)noc2C)c(O)c1 ZINC000796528096 626059318 /nfs/dbraw/zinc/05/93/18/626059318.db2.gz OVJSCSNAGYZARG-UHFFFAOYSA-N 0 3 304.390 3.421 20 10 DGCDHN CCOc1ccc(C[NH2+]C(C)(C)c2c(C)noc2C)c([O-])c1 ZINC000796528096 626059320 /nfs/dbraw/zinc/05/93/20/626059320.db2.gz OVJSCSNAGYZARG-UHFFFAOYSA-N 0 3 304.390 3.421 20 10 DGCDHN CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000797020634 626105038 /nfs/dbraw/zinc/10/50/38/626105038.db2.gz WMFNZMQCOSMQSU-KPZWWZAWSA-N 0 3 303.377 3.478 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cc(F)ccc1[O-] ZINC000797130985 626116790 /nfs/dbraw/zinc/11/67/90/626116790.db2.gz CWRFVIHNFDSKAG-VERVWZFWSA-N 0 3 321.417 3.261 20 10 DGCDHN Cc1ccncc1N1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000798962292 626262921 /nfs/dbraw/zinc/26/29/21/626262921.db2.gz OWIXJVOHFCJAKE-UHFFFAOYSA-N 0 3 311.429 3.035 20 10 DGCDHN COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706194 626372957 /nfs/dbraw/zinc/37/29/57/626372957.db2.gz FBTFCXRAGGLLBK-VXGBXAGGSA-N 0 3 301.814 3.056 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(CC)CC ZINC000801599310 626411701 /nfs/dbraw/zinc/41/17/01/626411701.db2.gz JWCCXNSTWKPEIW-OAHLLOKOSA-N 0 3 306.450 3.251 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(CC)CC ZINC000801599310 626411703 /nfs/dbraw/zinc/41/17/03/626411703.db2.gz JWCCXNSTWKPEIW-OAHLLOKOSA-N 0 3 306.450 3.251 20 10 DGCDHN Cc1ccc(C[NH2+]Cc2ccccc2[O-])c(-c2cnn(C)c2)c1 ZINC000801720161 626416027 /nfs/dbraw/zinc/41/60/27/626416027.db2.gz PTMUTTHXJOUGFT-UHFFFAOYSA-N 0 3 307.397 3.391 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1[O-] ZINC000883263075 626628502 /nfs/dbraw/zinc/62/85/02/626628502.db2.gz GEFWILZLKFFQBX-UKRRQHHQSA-N 0 3 323.408 3.158 20 10 DGCDHN Cc1cc(O)c(CN2CC[C@@H](OC(=O)N(C)C)C2)cc1C(C)C ZINC000840106379 626763555 /nfs/dbraw/zinc/76/35/55/626763555.db2.gz UCCBGAHUXLQLCJ-OAHLLOKOSA-N 0 3 320.433 3.097 20 10 DGCDHN COc1cc(C)cc(CN(C)Cc2ccccc2N(C)C)c1O ZINC000808235686 626807574 /nfs/dbraw/zinc/80/75/74/626807574.db2.gz ZMZQVVJFEBXBJS-UHFFFAOYSA-N 0 3 314.429 3.407 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000808684427 626849182 /nfs/dbraw/zinc/84/91/82/626849182.db2.gz NVOXLMUEQPEZSH-GHMZBOCLSA-N 0 3 312.841 3.308 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c1[O-] ZINC000808694053 626850052 /nfs/dbraw/zinc/85/00/52/626850052.db2.gz ZGSYAGLNRKKFDK-IUODEOHRSA-N 0 3 308.853 3.489 20 10 DGCDHN CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712019 626852549 /nfs/dbraw/zinc/85/25/49/626852549.db2.gz YYHPTVFVDNUIRR-NSHDSACASA-N 0 3 312.841 3.167 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CSC[C@H]2C)c1[O-] ZINC000809702275 626938410 /nfs/dbraw/zinc/93/84/10/626938410.db2.gz FBYIFFQQPQROMP-BXKDBHETSA-N 0 3 316.264 3.304 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CSC[C@@H]2C)c1[O-] ZINC000809702278 626938750 /nfs/dbraw/zinc/93/87/50/626938750.db2.gz FBYIFFQQPQROMP-JOYOIKCWSA-N 0 3 316.264 3.304 20 10 DGCDHN CO[C@H](C)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809718795 626941146 /nfs/dbraw/zinc/94/11/46/626941146.db2.gz YPFNVMSXBYRJHA-CQSZACIVSA-N 0 3 321.421 3.052 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2ccccc2)c1[O-] ZINC000809722547 626941884 /nfs/dbraw/zinc/94/18/84/626941884.db2.gz BJYXCAGPBIZIRD-MRXNPFEDSA-N 0 3 305.805 3.047 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCN2CCC1CC2 ZINC000809743314 626944735 /nfs/dbraw/zinc/94/47/35/626944735.db2.gz WOWYIJKIUDUJPK-UHFFFAOYSA-N 0 3 308.425 3.339 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCN2CCC1CC2 ZINC000809743314 626944739 /nfs/dbraw/zinc/94/47/39/626944739.db2.gz WOWYIJKIUDUJPK-UHFFFAOYSA-N 0 3 308.425 3.339 20 10 DGCDHN CCCN(CCC)c1ccc(CN2CCNC(=O)C[C@H]2C)cc1 ZINC000809765258 626949068 /nfs/dbraw/zinc/94/90/68/626949068.db2.gz NFCBPMJKIMVQMM-MRXNPFEDSA-N 0 3 317.477 3.023 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)c1ccccc1[O-] ZINC000886764390 627201703 /nfs/dbraw/zinc/20/17/03/627201703.db2.gz RSPIALFMEBVIAU-OAOQPFQOSA-N 0 3 305.418 3.160 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c([O-])c1 ZINC000886772528 627203124 /nfs/dbraw/zinc/20/31/24/627203124.db2.gz ZVEKBLYLEWEAPL-SIBFUHKCSA-N 0 3 319.445 3.324 20 10 DGCDHN COc1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c(O)cc1C ZINC000811803837 627322713 /nfs/dbraw/zinc/32/27/13/627322713.db2.gz TVDVJMOYOTXOBP-AWEZNQCLSA-N 0 3 321.808 3.006 20 10 DGCDHN Cc1cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815119745 627630286 /nfs/dbraw/zinc/63/02/86/627630286.db2.gz GHQOGZRTALGZEF-ROUUACIJSA-N 0 3 302.462 3.450 20 10 DGCDHN COc1ccncc1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815629237 627693002 /nfs/dbraw/zinc/69/30/02/627693002.db2.gz XSXQTWKWHNJKTA-ZWNOBZJWSA-N 0 3 302.349 3.273 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2[O-])[C@@H]1n1cccn1 ZINC000815659382 627695799 /nfs/dbraw/zinc/69/57/99/627695799.db2.gz AFYDAPWLTAHDGY-ONIAQPFYSA-N 0 3 315.417 3.048 20 10 DGCDHN Oc1cc2c(cc1CN1CCC[C@@H](CC(F)(F)F)C1)OCO2 ZINC000817365389 627889771 /nfs/dbraw/zinc/88/97/71/627889771.db2.gz OTDOCYIIBDDRRD-JTQLQIEISA-N 0 3 317.307 3.285 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)c([O-])c1 ZINC000817411409 627895716 /nfs/dbraw/zinc/89/57/16/627895716.db2.gz RDYCMNWJBOMUMF-AWEZNQCLSA-N 0 3 307.459 3.414 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817941894 627968489 /nfs/dbraw/zinc/96/84/89/627968489.db2.gz SVYIAVYWXXFMHL-WCQYABFASA-N 0 3 302.340 3.204 20 10 DGCDHN CC[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940845 627969061 /nfs/dbraw/zinc/96/90/61/627969061.db2.gz LGBILDZLUCIXJL-JOYOIKCWSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](N)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000817954047 627973147 /nfs/dbraw/zinc/97/31/47/627973147.db2.gz AQXNPEUONVZDKW-KCPJHIHWSA-N 0 3 300.377 3.369 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)c2c1c(F)ccc2[O-] ZINC000817958407 627975021 /nfs/dbraw/zinc/97/50/21/627975021.db2.gz VJMMGFQZLXUIHF-ABAIWWIYSA-N 0 3 300.377 3.494 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817965379 627977596 /nfs/dbraw/zinc/97/75/96/627977596.db2.gz PVDCGRABTMDXCS-OLZOCXBDSA-N 0 3 302.340 3.189 20 10 DGCDHN C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968766 627978946 /nfs/dbraw/zinc/97/89/46/627978946.db2.gz MBVRPDBONKOVEK-VDDIYKPWSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969227 627979120 /nfs/dbraw/zinc/97/91/20/627979120.db2.gz AAWDAGMUEPNMFB-MWODSPESSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817971805 627979650 /nfs/dbraw/zinc/97/96/50/627979650.db2.gz QDQJFYTXGFMRHY-OPRDCNLKSA-N 0 3 303.233 3.490 20 10 DGCDHN CCO[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])CN(C)C ZINC000926965055 627991011 /nfs/dbraw/zinc/99/10/11/627991011.db2.gz ZWEGWFBGTHJFBH-ZBFHGGJFSA-N 0 3 316.445 3.163 20 10 DGCDHN CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)n1 ZINC000927055629 628003768 /nfs/dbraw/zinc/00/37/68/628003768.db2.gz GLRLNZBOUDHOII-RDBSUJKOSA-N 0 3 313.401 3.251 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822653834 628475428 /nfs/dbraw/zinc/47/54/28/628475428.db2.gz CUCKRKXIJVWIRF-OAHLLOKOSA-N 0 3 304.434 3.004 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822653834 628475430 /nfs/dbraw/zinc/47/54/30/628475430.db2.gz CUCKRKXIJVWIRF-OAHLLOKOSA-N 0 3 304.434 3.004 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(C)(C)C)C1=O ZINC000823026011 628519458 /nfs/dbraw/zinc/51/94/58/628519458.db2.gz OCKCLHAYJMJSEF-MRXNPFEDSA-N 0 3 318.461 3.394 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(C)(C)C)C1=O ZINC000823026011 628519461 /nfs/dbraw/zinc/51/94/61/628519461.db2.gz OCKCLHAYJMJSEF-MRXNPFEDSA-N 0 3 318.461 3.394 20 10 DGCDHN C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc([O-])cs1 ZINC000823248596 628542089 /nfs/dbraw/zinc/54/20/89/628542089.db2.gz OWJMHIGVQSHDEL-UHFFFAOYSA-N 0 3 310.463 3.038 20 10 DGCDHN CC[C@@H](NCc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)F ZINC000824635027 628679434 /nfs/dbraw/zinc/67/94/34/628679434.db2.gz DWYNPTPOGVZDRT-HIFRSBDPSA-N 0 3 318.383 3.166 20 10 DGCDHN Cc1cc([O-])c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1Cl ZINC000825885145 628806831 /nfs/dbraw/zinc/80/68/31/628806831.db2.gz DGAADLAAVHADHQ-UKRRQHHQSA-N 0 3 308.853 3.413 20 10 DGCDHN CCOc1cccc(CN2CCOC(C3CC3)(C3CC3)C2)c1O ZINC000827538592 628969256 /nfs/dbraw/zinc/96/92/56/628969256.db2.gz RIGNOEVBUMRVPQ-UHFFFAOYSA-N 0 3 317.429 3.182 20 10 DGCDHN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C(C)C)C2)c1[O-] ZINC000832779518 629513830 /nfs/dbraw/zinc/51/38/30/629513830.db2.gz ZNGOPAAESZRYKD-HNNXBMFYSA-N 0 3 324.852 3.163 20 10 DGCDHN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C(C)C)C2)c1[O-] ZINC000832779518 629513836 /nfs/dbraw/zinc/51/38/36/629513836.db2.gz ZNGOPAAESZRYKD-HNNXBMFYSA-N 0 3 324.852 3.163 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[O-] ZINC000832779518 629513838 /nfs/dbraw/zinc/51/38/38/629513838.db2.gz ZNGOPAAESZRYKD-HNNXBMFYSA-N 0 3 324.852 3.163 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c1[O-] ZINC000832779518 629513843 /nfs/dbraw/zinc/51/38/43/629513843.db2.gz ZNGOPAAESZRYKD-HNNXBMFYSA-N 0 3 324.852 3.163 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CCc3ccccc3C1)CC2 ZINC000834496410 629717491 /nfs/dbraw/zinc/71/74/91/629717491.db2.gz HMSLHTDFYAVWPU-SFHVURJKSA-N 0 3 308.425 3.027 20 10 DGCDHN CN(C)C(=O)C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834530073 629721344 /nfs/dbraw/zinc/72/13/44/629721344.db2.gz AUOVEOBHADBAIN-IAGOWNOFSA-N 0 3 324.424 3.189 20 10 DGCDHN O=C(Nc1ccccc1)C1(N[C@@H]2CCc3cccc(O)c32)CC1 ZINC000834773323 629777337 /nfs/dbraw/zinc/77/73/37/629777337.db2.gz FENVDZORYFZNIG-OAHLLOKOSA-N 0 3 308.381 3.140 20 10 DGCDHN CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(C)C ZINC000834880245 629795971 /nfs/dbraw/zinc/79/59/71/629795971.db2.gz QDGFFTQOHKMATA-NDGTYSDOSA-N 0 3 322.424 3.172 20 10 DGCDHN CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(C)C ZINC000834880244 629796091 /nfs/dbraw/zinc/79/60/91/629796091.db2.gz QDGFFTQOHKMATA-BNLOLNQZSA-N 0 3 322.424 3.172 20 10 DGCDHN C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834896282 629801144 /nfs/dbraw/zinc/80/11/44/629801144.db2.gz JOPOFHDGXWCLFF-JTNHKYCSSA-N 0 3 303.381 3.034 20 10 DGCDHN CCn1nc(C)c(CNC/C=C/c2ccc(N(C)C)cc2)c1C ZINC000835038749 629831338 /nfs/dbraw/zinc/83/13/38/629831338.db2.gz ZQELNTVSMHYMFY-BQYQJAHWSA-N 0 3 312.461 3.389 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1ccn(C)n1 ZINC000840895038 630374558 /nfs/dbraw/zinc/37/45/58/630374558.db2.gz UXDAOZGPAHJPGV-LSDHHAIUSA-N 0 3 300.450 3.076 20 10 DGCDHN CC(=O)Nc1cccc(CNCc2ccc(N(C)C)cc2C)c1 ZINC000840929753 630379652 /nfs/dbraw/zinc/37/96/52/630379652.db2.gz FPVHIBOWOZSAOK-UHFFFAOYSA-N 0 3 311.429 3.309 20 10 DGCDHN Cc1cc([O-])c(CNC2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000840941528 630382046 /nfs/dbraw/zinc/38/20/46/630382046.db2.gz YUQPZUMWBHXSLM-UHFFFAOYSA-N 0 3 308.853 3.461 20 10 DGCDHN Cc1cc([O-])c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(Cl)c1 ZINC000840948010 630382679 /nfs/dbraw/zinc/38/26/79/630382679.db2.gz JIXYPYLQJQYIJB-KGLIPLIRSA-N 0 3 308.853 3.413 20 10 DGCDHN [NH3+][C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1c1cccc(F)c1 ZINC000841103835 630408656 /nfs/dbraw/zinc/40/86/56/630408656.db2.gz LXDLTDLLVJIPED-XJKSGUPXSA-N 0 3 320.795 3.111 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC(F)F)C2)c2c1c(F)ccc2[O-] ZINC000841765368 630463826 /nfs/dbraw/zinc/46/38/26/630463826.db2.gz RCBXEVXYDDIVRJ-CKYFFXLPSA-N 0 3 314.351 3.009 20 10 DGCDHN CO[C@H](CC(C)C)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000842151537 630499386 /nfs/dbraw/zinc/49/93/86/630499386.db2.gz CAIRSNLPGXEIHU-ZWKOTPCHSA-N 0 3 321.461 3.434 20 10 DGCDHN CO[C@H](CC(C)C)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000842151537 630499389 /nfs/dbraw/zinc/49/93/89/630499389.db2.gz CAIRSNLPGXEIHU-ZWKOTPCHSA-N 0 3 321.461 3.434 20 10 DGCDHN CC(C)Cn1nccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000842700030 630565397 /nfs/dbraw/zinc/56/53/97/630565397.db2.gz UIJAYXIVLTWILL-OAHLLOKOSA-N 0 3 300.450 3.456 20 10 DGCDHN COc1cccc(O)c1CNCc1ccc2c(c1)OC(F)(F)O2 ZINC000842725210 630568208 /nfs/dbraw/zinc/56/82/08/630568208.db2.gz RYBXWXPVSGRDER-UHFFFAOYSA-N 0 3 323.295 3.012 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1[O-] ZINC000842884375 630589185 /nfs/dbraw/zinc/58/91/85/630589185.db2.gz JAKKVTPLHHYNAP-CABCVRRESA-N 0 3 304.434 3.141 20 10 DGCDHN CC[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000842885324 630589770 /nfs/dbraw/zinc/58/97/70/630589770.db2.gz NCNBUVBGKICEJV-IAGOWNOFSA-N 0 3 317.477 3.193 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@@H](CCO)c2ccccc2F)c1 ZINC000842922803 630593562 /nfs/dbraw/zinc/59/35/62/630593562.db2.gz DTEDZQMNRIIDEX-SJCJKPOMSA-N 0 3 319.376 3.314 20 10 DGCDHN OCC[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000842925207 630594004 /nfs/dbraw/zinc/59/40/04/630594004.db2.gz WVBMTDICQTXUNZ-JKSUJKDBSA-N 0 3 301.361 3.232 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](C1CC1)C1CCNCC1 ZINC000843044189 630607695 /nfs/dbraw/zinc/60/76/95/630607695.db2.gz XNQYTRLLFJCOBI-UHFFFAOYSA-N 0 3 315.244 3.415 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](C1CC1)C1CCNCC1 ZINC000843044189 630607698 /nfs/dbraw/zinc/60/76/98/630607698.db2.gz XNQYTRLLFJCOBI-UHFFFAOYSA-N 0 3 315.244 3.415 20 10 DGCDHN [O-]c1ccc(F)cc1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000843053289 630608984 /nfs/dbraw/zinc/60/89/84/630608984.db2.gz TXVPZLJMMLMIQF-GOSISDBHSA-N 0 3 314.404 3.286 20 10 DGCDHN Oc1cccc2c1CC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000105487224 630718485 /nfs/dbraw/zinc/71/84/85/630718485.db2.gz GNWIDNIJLGYLMA-LJQANCHMSA-N 0 3 324.424 3.006 20 10 DGCDHN COc1ccc(N(C)CCN(C)Cc2sc(C)nc2C)cc1 ZINC000844401480 630724886 /nfs/dbraw/zinc/72/48/86/630724886.db2.gz OCQWLBOPOFOYRB-UHFFFAOYSA-N 0 3 319.474 3.337 20 10 DGCDHN Cc1cc(O)c(CN[C@H](c2ccccc2F)[C@@H](C)O)cc1C ZINC000846015715 631206209 /nfs/dbraw/zinc/20/62/09/631206209.db2.gz CXAJMBQRODCRNW-ACJLOTCBSA-N 0 3 303.377 3.360 20 10 DGCDHN COc1cccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1O ZINC000846155738 631212535 /nfs/dbraw/zinc/21/25/35/631212535.db2.gz CIDGVCYMGYGHQO-QWRGUYRKSA-N 0 3 304.394 3.054 20 10 DGCDHN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cccc(OC)c2O)n[nH]1 ZINC000846167011 631213176 /nfs/dbraw/zinc/21/31/76/631213176.db2.gz QRPGHNGCGDBEKQ-SRVKXCTJSA-N 0 3 318.421 3.444 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CC1CCCC1)[C@@H](O)CO2 ZINC000848505348 631671296 /nfs/dbraw/zinc/67/12/96/631671296.db2.gz IWISAMYOHHWDMJ-QAPCUYQASA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CC1CCCC1)[C@@H](O)CO2 ZINC000848505348 631671300 /nfs/dbraw/zinc/67/13/00/631671300.db2.gz IWISAMYOHHWDMJ-QAPCUYQASA-N 0 3 317.429 3.363 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1[O-] ZINC000848526956 631677842 /nfs/dbraw/zinc/67/78/42/631677842.db2.gz MXEVIKPKYFJZPP-LPEHRKFASA-N 0 3 314.223 3.470 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c([O-])c1 ZINC000848559196 631691645 /nfs/dbraw/zinc/69/16/45/631691645.db2.gz QLOVLAPNQUDHAC-CXAGYDPISA-N 0 3 310.397 3.305 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C ZINC000848565991 631694734 /nfs/dbraw/zinc/69/47/34/631694734.db2.gz OUUSVWCNUXQVFU-ZDUSSCGKSA-N 0 3 323.433 3.104 20 10 DGCDHN CCc1cccc(CN[C@@H](c2nnc3ccccn32)C(C)C)c1O ZINC000848899111 631778367 /nfs/dbraw/zinc/77/83/67/631778367.db2.gz CDXOJKRMACKCPM-QGZVFWFLSA-N 0 3 324.428 3.484 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1F ZINC000848925320 631789660 /nfs/dbraw/zinc/78/96/60/631789660.db2.gz SQQAWYJYNJEUSP-INIZCTEOSA-N 0 3 306.425 3.425 20 10 DGCDHN CCN(CC)c1ccc(CNCc2c(C3CC3)cnn2C)cc1 ZINC000850035141 632034130 /nfs/dbraw/zinc/03/41/30/632034130.db2.gz VXGRYZVVNGZXCQ-UHFFFAOYSA-N 0 3 312.461 3.434 20 10 DGCDHN COCc1csc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000850099120 632056484 /nfs/dbraw/zinc/05/64/84/632056484.db2.gz FFARKDUPZRAHIZ-UHFFFAOYSA-N 0 3 308.422 3.389 20 10 DGCDHN Cc1ncc(CNCc2ccc(N3CCC(C)CC3)cc2)n1C ZINC000850128393 632061803 /nfs/dbraw/zinc/06/18/03/632061803.db2.gz ATULUPYJLIQEPR-UHFFFAOYSA-N 0 3 312.461 3.255 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850377342 632132323 /nfs/dbraw/zinc/13/23/23/632132323.db2.gz FIOUPBCBPJIULW-SJORKVTESA-N 0 3 324.415 3.437 20 10 DGCDHN CN(C)c1ccc(/C=C/CNC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850380213 632132839 /nfs/dbraw/zinc/13/28/39/632132839.db2.gz QKEBCNFNJJIHBN-VDLFBQIGSA-N 0 3 322.399 3.170 20 10 DGCDHN CCOc1cccc(CNCc2c(C3CCC3)cnn2C)c1O ZINC000850391796 632136886 /nfs/dbraw/zinc/13/68/86/632136886.db2.gz ZXDDEZFFXXAETG-UHFFFAOYSA-N 0 3 315.417 3.082 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c([O-])c1 ZINC000850409751 632143343 /nfs/dbraw/zinc/14/33/43/632143343.db2.gz ZXNLGRYLDVXFFD-NZSAHSFTSA-N 0 3 313.372 3.358 20 10 DGCDHN COCC(C)(C)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000311120119 656172429 /nfs/dbraw/zinc/17/24/29/656172429.db2.gz UGLHPWNZUICFIT-UHFFFAOYSA-N 0 3 316.239 3.320 20 10 DGCDHN COCC(C)(C)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000311120119 656172431 /nfs/dbraw/zinc/17/24/31/656172431.db2.gz UGLHPWNZUICFIT-UHFFFAOYSA-N 0 3 316.239 3.320 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCc3ccccc3C2)c([O-])c1 ZINC000184923850 660195314 /nfs/dbraw/zinc/19/53/14/660195314.db2.gz WUIQHOAHGDSOBL-MRXNPFEDSA-N 0 3 310.441 3.410 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)CC2CCCCC2)c([O-])c1 ZINC000186033210 660262100 /nfs/dbraw/zinc/26/21/00/660262100.db2.gz ULQCDTKAOUTWJA-OAHLLOKOSA-N 0 3 318.461 3.438 20 10 DGCDHN COc1ccc(C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)c([O-])c1 ZINC000793388073 661029078 /nfs/dbraw/zinc/02/90/78/661029078.db2.gz KKVCICIWLIXBGQ-UHFFFAOYSA-N 0 3 317.433 3.259 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(F)c3cccnc23)c([O-])c1 ZINC000793388061 661029084 /nfs/dbraw/zinc/02/90/84/661029084.db2.gz KCODWTXLVRBKRK-UHFFFAOYSA-N 0 3 312.344 3.378 20 10 DGCDHN C[N@H+](CCC(=O)N1CCCc2ccccc21)Cc1ccccc1[O-] ZINC000794561969 661091404 /nfs/dbraw/zinc/09/14/04/661091404.db2.gz XANKAGVDNIEABY-UHFFFAOYSA-N 0 3 324.424 3.194 20 10 DGCDHN C[N@@H+](CCC(=O)N1CCCc2ccccc21)Cc1ccccc1[O-] ZINC000794561969 661091406 /nfs/dbraw/zinc/09/14/06/661091406.db2.gz XANKAGVDNIEABY-UHFFFAOYSA-N 0 3 324.424 3.194 20 10 DGCDHN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(N2CCCC2)cc1 ZINC000794797885 661105634 /nfs/dbraw/zinc/10/56/34/661105634.db2.gz QUPZEFOCRINMGT-SFHVURJKSA-N 0 3 310.445 3.188 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794794942 661105722 /nfs/dbraw/zinc/10/57/22/661105722.db2.gz SYZUJUUJCJJKDM-MSOLQXFVSA-N 0 3 320.477 3.098 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000715146625 661208597 /nfs/dbraw/zinc/20/85/97/661208597.db2.gz OKWIASASWIMLBA-MELADBBJSA-N 0 3 320.433 3.346 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)CC2 ZINC000716235159 661220102 /nfs/dbraw/zinc/22/01/02/661220102.db2.gz AQBDXASHHYOYIV-ZWKOTPCHSA-N 0 3 308.425 3.244 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667789 657606621 /nfs/dbraw/zinc/60/66/21/657606621.db2.gz NYMJNZBFCOPNNC-STQMWFEESA-N 0 3 315.244 3.415 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667789 657606627 /nfs/dbraw/zinc/60/66/27/657606627.db2.gz NYMJNZBFCOPNNC-STQMWFEESA-N 0 3 315.244 3.415 20 10 DGCDHN Cc1csc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000029583265 657888017 /nfs/dbraw/zinc/88/80/17/657888017.db2.gz NZDQBLBDXFCUSD-UHFFFAOYSA-N 0 3 317.458 3.096 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1[O-] ZINC000155676711 658839990 /nfs/dbraw/zinc/83/99/90/658839990.db2.gz VOABVUDUXGOIBP-KRWDZBQOSA-N 0 3 308.385 3.214 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000155986976 658869889 /nfs/dbraw/zinc/86/98/89/658869889.db2.gz AZNZXHCSPAZHHK-UHFFFAOYSA-N 0 3 300.377 3.162 20 10 DGCDHN C[C@@H](CC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165197950 658969951 /nfs/dbraw/zinc/96/99/51/658969951.db2.gz PROUBZSFFBNMOQ-NSHDSACASA-N 0 3 320.330 3.093 20 10 DGCDHN CN(C)c1ccc(CN(C)C(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000324320315 659656072 /nfs/dbraw/zinc/65/60/72/659656072.db2.gz UMCXEFFQYVRHSZ-SFHVURJKSA-N 0 3 317.477 3.009 20 10 DGCDHN COc1ccccc1OCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179941534 659946831 /nfs/dbraw/zinc/94/68/31/659946831.db2.gz RLVBTHZIQVLGKZ-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN COc1ccccc1OCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179941534 659946836 /nfs/dbraw/zinc/94/68/36/659946836.db2.gz RLVBTHZIQVLGKZ-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000180153129 659953454 /nfs/dbraw/zinc/95/34/54/659953454.db2.gz MHLQTQGXNAQOIJ-GOSISDBHSA-N 0 3 315.388 3.403 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000180153129 659953455 /nfs/dbraw/zinc/95/34/55/659953455.db2.gz MHLQTQGXNAQOIJ-GOSISDBHSA-N 0 3 315.388 3.403 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(C#N)cc2OC)c1 ZINC000182405429 660051466 /nfs/dbraw/zinc/05/14/66/660051466.db2.gz XMAPEOUKQYIUHT-LBPRGKRZSA-N 0 3 312.369 3.132 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000183633802 660128110 /nfs/dbraw/zinc/12/81/10/660128110.db2.gz JJXAZJNFMUQFJJ-DOMZBBRYSA-N 0 3 320.433 3.346 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1COc2c(cccc2OC)C1)c1ccccc1[O-] ZINC000155623420 661849851 /nfs/dbraw/zinc/84/98/51/661849851.db2.gz QLXNUTQRWNHGIR-GDBMZVCRSA-N 0 3 313.397 3.445 20 10 DGCDHN COc1ccc2c(c1)CN(Cc1cc(OC)c(C)cc1O)CC2 ZINC000159930873 661898196 /nfs/dbraw/zinc/89/81/96/661898196.db2.gz MCLCLEMNYXWNEP-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN OC1CCN(c2ccc(CNCc3ccc(F)cc3)cc2)CC1 ZINC000076275585 661976743 /nfs/dbraw/zinc/97/67/43/661976743.db2.gz MTZBZEQSYBROJL-UHFFFAOYSA-N 0 3 314.404 3.077 20 10 DGCDHN CC[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000192873285 662113528 /nfs/dbraw/zinc/11/35/28/662113528.db2.gz CZTRUBARNKFUCP-INIZCTEOSA-N 0 3 313.397 3.447 20 10 DGCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000090404240 662262113 /nfs/dbraw/zinc/26/21/13/662262113.db2.gz XRVFMHRXSGNRLZ-ZDUSSCGKSA-N 0 3 317.458 3.139 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683575 662358087 /nfs/dbraw/zinc/35/80/87/662358087.db2.gz DLXIXOVNXNLOAW-CQSZACIVSA-N 0 3 308.853 3.353 20 10 DGCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N(C)Cc1ccccc1 ZINC000390563189 685203013 /nfs/dbraw/zinc/20/30/13/685203013.db2.gz NOAYFQGKWSPEIF-CRAIPNDOSA-N 0 3 310.441 3.490 20 10 DGCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N(C)Cc1ccccc1 ZINC000390563191 685203322 /nfs/dbraw/zinc/20/33/22/685203322.db2.gz NOAYFQGKWSPEIF-QAPCUYQASA-N 0 3 310.441 3.490 20 10 DGCDHN CCN(CC[NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)OC(C)(C)C ZINC000390816919 685206362 /nfs/dbraw/zinc/20/63/62/685206362.db2.gz NAASPDNYEHRKSR-CQSZACIVSA-N 0 3 320.433 3.226 20 10 DGCDHN CCc1ccccc1[C@H](N)C[NH2+]Cc1c([O-])cccc1Cl ZINC001578275384 1191936592 /nfs/dbraw/zinc/93/65/92/1191936592.db2.gz KSDADQDLYYZCDM-MRXNPFEDSA-N 0 3 304.821 3.398 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c(O)c1C ZINC001592136027 1192596027 /nfs/dbraw/zinc/59/60/27/1192596027.db2.gz QWGYQKZQLKQHHL-CYBMUJFWSA-N 0 3 323.400 3.040 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c(O)c1C ZINC001592136027 1192596029 /nfs/dbraw/zinc/59/60/29/1192596029.db2.gz QWGYQKZQLKQHHL-CYBMUJFWSA-N 0 3 323.400 3.040 20 10 DGCDHN CCN(CC)c1ccc(CN[C@H]2CCCC23OCCO3)cc1F ZINC001621020739 1192869503 /nfs/dbraw/zinc/86/95/03/1192869503.db2.gz QOLZEAYJTADRPW-KRWDZBQOSA-N 0 3 322.424 3.057 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCS[C@H](C)C2)c1[O-] ZINC001343288366 1179252217 /nfs/dbraw/zinc/25/22/17/1179252217.db2.gz UHDJSXKTTHWPMH-BXKDBHETSA-N 0 3 301.839 3.428 20 10 DGCDHN Nc1ccc(CN2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC001345159462 1179535750 /nfs/dbraw/zinc/53/57/50/1179535750.db2.gz HAALOTOYBTVMNE-UHFFFAOYSA-N 0 3 306.413 3.072 20 10 DGCDHN CC[C@@](O)(CN[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC001352739368 1180390295 /nfs/dbraw/zinc/39/02/95/1180390295.db2.gz DJBLZDAEECWOKH-BXUZGUMPSA-N 0 3 304.356 3.107 20 10 DGCDHN Nc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC001356083536 1181139099 /nfs/dbraw/zinc/13/90/99/1181139099.db2.gz RNMOPNQNOYLXJG-KRWDZBQOSA-N 0 3 310.397 3.377 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCCc2cccc(C)n2)c([O-])c1 ZINC001621323654 1193078062 /nfs/dbraw/zinc/07/80/62/1193078062.db2.gz MARZORVEVMOWGY-UHFFFAOYSA-N 0 3 300.402 3.135 20 10 DGCDHN OC[C@@]1(NCc2ccc3c(c2)CCCO3)CCCc2ccccc21 ZINC001474122958 1181582410 /nfs/dbraw/zinc/58/24/10/1181582410.db2.gz INUVBJXPIDNURX-NRFANRHFSA-N 0 3 323.436 3.325 20 10 DGCDHN C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1[O-] ZINC001460641171 1182703162 /nfs/dbraw/zinc/70/31/62/1182703162.db2.gz YHGGWXXBEKGZBY-JTQLQIEISA-N 0 3 322.767 3.474 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC001462169558 1182917465 /nfs/dbraw/zinc/91/74/65/1182917465.db2.gz KNCHRXVJWNQNKR-GXFFZTMASA-N 0 3 303.324 3.482 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC001462169558 1182917471 /nfs/dbraw/zinc/91/74/71/1182917471.db2.gz KNCHRXVJWNQNKR-GXFFZTMASA-N 0 3 303.324 3.482 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC001462265856 1182930935 /nfs/dbraw/zinc/93/09/35/1182930935.db2.gz GONHSYTZVSQFMO-CYBMUJFWSA-N 0 3 304.217 3.383 20 10 DGCDHN C[C@H]([NH2+]Cc1ccnc(Br)c1)c1ccccc1[O-] ZINC001473724163 1183793211 /nfs/dbraw/zinc/79/32/11/1183793211.db2.gz QHJKFSWOQAGQRA-JTQLQIEISA-N 0 3 307.191 3.401 20 10 DGCDHN C[C@H](O)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC001473956860 1183837632 /nfs/dbraw/zinc/83/76/32/1183837632.db2.gz BGTHFPLPJYWZDW-ZDUSSCGKSA-N 0 3 302.393 3.235 20 10 DGCDHN CO[C@]1(C)C[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001474022518 1183852978 /nfs/dbraw/zinc/85/29/78/1183852978.db2.gz XQYZTRBRERCVJC-NVXWUHKLSA-N 0 3 312.404 3.324 20 10 DGCDHN C[C@H](N[C@@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(N(C)C)cc1 ZINC001474116796 1183870504 /nfs/dbraw/zinc/87/05/04/1183870504.db2.gz HAYJVTHDECRTLR-IAOVAPTHSA-N 0 3 322.424 3.037 20 10 DGCDHN COc1ccc(N2CCCN(Cc3cc(C)co3)CC2)cc1 ZINC001474329438 1183905085 /nfs/dbraw/zinc/90/50/85/1183905085.db2.gz LVRGWOCYWDSVCD-UHFFFAOYSA-N 0 3 300.402 3.309 20 10 DGCDHN CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC001474451628 1183924452 /nfs/dbraw/zinc/92/44/52/1183924452.db2.gz ACKWBQIZVQHYIN-GDBMZVCRSA-N 0 3 320.433 3.047 20 10 DGCDHN CC[C@H](C[NH2+]Cc1c(C)cc(OC)cc1[O-])C(=O)OC(C)(C)C ZINC001474715332 1183966601 /nfs/dbraw/zinc/96/66/01/1183966601.db2.gz GEXBWMUIQYRSNR-CYBMUJFWSA-N 0 3 323.433 3.167 20 10 DGCDHN CCCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001537477922 1188077445 /nfs/dbraw/zinc/07/74/45/1188077445.db2.gz OLNNVMBIMACELQ-SFHVURJKSA-N 0 3 319.493 3.442 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC001560697040 1189361555 /nfs/dbraw/zinc/36/15/55/1189361555.db2.gz KWQGQTBLLKKOPK-AWEZNQCLSA-N 0 3 315.413 3.478 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC001560697040 1189361559 /nfs/dbraw/zinc/36/15/59/1189361559.db2.gz KWQGQTBLLKKOPK-AWEZNQCLSA-N 0 3 315.413 3.478 20 10 DGCDHN Cc1cc(CN2Cc3c[nH]nc3CC(C)(C)C2)ccc1N(C)C ZINC001620461630 1193771493 /nfs/dbraw/zinc/77/14/93/1193771493.db2.gz ZHSBRRMQGFWVRR-UHFFFAOYSA-N 0 3 312.461 3.369 20 10 DGCDHN COc1cc(C)cc(CN2CCN(C)Cc3ccccc32)c1O ZINC001621352174 1193832199 /nfs/dbraw/zinc/83/21/99/1193832199.db2.gz HLTPUJIQQVLKEJ-UHFFFAOYSA-N 0 3 312.413 3.161 20 10 DGCDHN CCOC(=O)[C@@]1(F)CN(Cc2cccc(CC)c2O)C[C@@H]1CC ZINC001621522317 1193853907 /nfs/dbraw/zinc/85/39/07/1193853907.db2.gz YCIBTXBPNYIWEM-MAUKXSAKSA-N 0 3 323.408 3.068 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c([O-])c1 ZINC001621535180 1193855136 /nfs/dbraw/zinc/85/51/36/1193855136.db2.gz NESNXIIVFVJWIM-AWEZNQCLSA-N 0 3 305.418 3.291 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001652632285 1195630252 /nfs/dbraw/zinc/63/02/52/1195630252.db2.gz WVKGWYVFRJXXBN-ZDUSSCGKSA-N 0 3 323.433 3.119 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001652632285 1195630256 /nfs/dbraw/zinc/63/02/56/1195630256.db2.gz WVKGWYVFRJXXBN-ZDUSSCGKSA-N 0 3 323.433 3.119 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccccc1[O-] ZINC001654532120 1195813521 /nfs/dbraw/zinc/81/35/21/1195813521.db2.gz IOHFEUXTNFDGBK-GFCCVEGCSA-N 0 3 318.804 3.013 20 10 DGCDHN CCOCc1cc(CNCc2ccccc2CO)ccc1OC ZINC001655418887 1195915106 /nfs/dbraw/zinc/91/51/06/1195915106.db2.gz OELDYBAFGVLDPS-UHFFFAOYSA-N 0 3 315.413 3.014 20 10 DGCDHN CN1CCCc2cc(CNCc3cccc4nccn43)ccc21 ZINC001656233124 1196021405 /nfs/dbraw/zinc/02/14/05/1196021405.db2.gz FXXCWXBAHNORBK-UHFFFAOYSA-N 0 3 306.413 3.007 20 10 DGCDHN CCN(CC)c1ccc(CNCc2ccc(N(C)C)nc2)cc1 ZINC001656737425 1196066523 /nfs/dbraw/zinc/06/65/23/1196066523.db2.gz UJJXSOYCNDCGFB-UHFFFAOYSA-N 0 3 312.461 3.284 20 10 DGCDHN Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccccc3)C2)c(O)c1 ZINC001657354270 1196132658 /nfs/dbraw/zinc/13/26/58/1196132658.db2.gz OJUXDRXZEAKCTN-GOSISDBHSA-N 0 3 324.424 3.095 20 10 DGCDHN Cc1ccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001657816412 1196180254 /nfs/dbraw/zinc/18/02/54/1196180254.db2.gz NPWITTVJZBLSID-OAHLLOKOSA-N 0 3 320.433 3.190 20 10 DGCDHN CC[C@@H]1CCCN1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001658219262 1196226664 /nfs/dbraw/zinc/22/66/64/1196226664.db2.gz VPZDYWFGZNWFQH-CYBMUJFWSA-N 0 3 318.392 3.478 20 10 DGCDHN COc1cc(C)c(CN[C@H]2C[C@]2(F)c2ccccc2)c(O)c1 ZINC001658402311 1196252389 /nfs/dbraw/zinc/25/23/89/1196252389.db2.gz CYRNSODCTYOGIV-ROUUACIJSA-N 0 3 301.361 3.436 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(Br)nc1)c1ccccc1[O-] ZINC001658524457 1196269495 /nfs/dbraw/zinc/26/94/95/1196269495.db2.gz XDQOBHUPJLXKHQ-JTQLQIEISA-N 0 3 307.191 3.401 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc(F)c(F)c1 ZINC001659815900 1196417527 /nfs/dbraw/zinc/41/75/27/1196417527.db2.gz YFSWHRSUDYPDIP-GHMZBOCLSA-N 0 3 320.339 3.348 20 10 DGCDHN COc1ccc(N2CCN(CC3(C)CCC3)CC2)c(OC)c1 ZINC001659857010 1196422261 /nfs/dbraw/zinc/42/22/61/1196422261.db2.gz AOTUPHWZUGIYTQ-UHFFFAOYSA-N 0 3 304.434 3.016 20 10 DGCDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2cc(F)cc(F)c2[O-])C1 ZINC001660944789 1196544421 /nfs/dbraw/zinc/54/44/21/1196544421.db2.gz JDSQYVLLPBTTIV-BETUJISGSA-N 0 3 312.404 3.128 20 10 DGCDHN C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cc(F)cc(F)c2[O-])C1 ZINC001660944789 1196544424 /nfs/dbraw/zinc/54/44/24/1196544424.db2.gz JDSQYVLLPBTTIV-BETUJISGSA-N 0 3 312.404 3.128 20 10 DGCDHN CCCOc1ccc(CN[C@@H](COC)[C@@H]2CCCO2)cc1C ZINC001662332312 1196708727 /nfs/dbraw/zinc/70/87/27/1196708727.db2.gz HFTHLICQQXSBQH-WMZOPIPTSA-N 0 3 307.434 3.067 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)n2)c([O-])c1 ZINC001663623693 1196916484 /nfs/dbraw/zinc/91/64/84/1196916484.db2.gz OLSGKDLSHIAZSP-KRWDZBQOSA-N 0 3 311.429 3.481 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)c([O-])c1 ZINC001663623693 1196916486 /nfs/dbraw/zinc/91/64/86/1196916486.db2.gz OLSGKDLSHIAZSP-KRWDZBQOSA-N 0 3 311.429 3.481 20 10 DGCDHN CCOC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC001169652919 1081620119 /nfs/dbraw/zinc/62/01/19/1081620119.db2.gz SLYIHYCFTHDCHX-KGLIPLIRSA-N 0 3 306.406 3.054 20 10 DGCDHN CCCn1cncc1CNCc1ccc(N(CC)CC)cc1 ZINC001648832657 1081938103 /nfs/dbraw/zinc/93/81/03/1081938103.db2.gz GUJBDLXCBGZKHK-UHFFFAOYSA-N 0 3 300.450 3.429 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCC2SCCS2)c1[O-] ZINC000693785767 1082728868 /nfs/dbraw/zinc/72/88/68/1082728868.db2.gz UJPGKFCWSSHXPK-UHFFFAOYSA-N 0 3 319.879 3.340 20 10 DGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CN(C)C(C)C ZINC001142590633 1087373090 /nfs/dbraw/zinc/37/30/90/1087373090.db2.gz JUUCPSVKUODELM-GOSISDBHSA-N 0 3 318.461 3.089 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC(C)(C)c2ccc(C)cn2)c([O-])c1 ZINC001206672103 1088467094 /nfs/dbraw/zinc/46/70/94/1088467094.db2.gz JZGQKOFPJJTKKO-UHFFFAOYSA-N 0 3 314.429 3.480 20 10 DGCDHN C[n+]1cccc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168526181 1089954063 /nfs/dbraw/zinc/95/40/63/1089954063.db2.gz RQJHHQWHOHPBJM-UHFFFAOYSA-O 0 3 300.769 3.030 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203551568 1090754552 /nfs/dbraw/zinc/75/45/52/1090754552.db2.gz JCROBMBEPDYJKF-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203551568 1090754556 /nfs/dbraw/zinc/75/45/56/1090754556.db2.gz JCROBMBEPDYJKF-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC001203558510 1090755363 /nfs/dbraw/zinc/75/53/63/1090755363.db2.gz LKUULAHUOYZDKQ-HNNXBMFYSA-N 0 3 313.397 3.346 20 10 DGCDHN COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC001203558510 1090755370 /nfs/dbraw/zinc/75/53/70/1090755370.db2.gz LKUULAHUOYZDKQ-HNNXBMFYSA-N 0 3 313.397 3.346 20 10 DGCDHN CCCCCCN1CCN(Cc2cccc(OC)c2O)CC1 ZINC001203595503 1090764605 /nfs/dbraw/zinc/76/46/05/1090764605.db2.gz GCLHZTYXUPLDJY-UHFFFAOYSA-N 0 3 306.450 3.099 20 10 DGCDHN COc1ccc(C[NH+]2CCC(Cc3ccncc3)CC2)c([O-])c1 ZINC001203634349 1090770256 /nfs/dbraw/zinc/77/02/56/1090770256.db2.gz AOHFWEMSYNXLMI-UHFFFAOYSA-N 0 3 312.413 3.251 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c([O-])c1 ZINC001203634365 1090770357 /nfs/dbraw/zinc/77/03/57/1090770357.db2.gz BJIAQJBHPGBBNQ-INIZCTEOSA-N 0 3 311.381 3.106 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c([O-])c1 ZINC001203634365 1090770362 /nfs/dbraw/zinc/77/03/62/1090770362.db2.gz BJIAQJBHPGBBNQ-INIZCTEOSA-N 0 3 311.381 3.106 20 10 DGCDHN Cc1cccc(N2CCN(Cc3ccc(O)cc3O)CC2)c1C ZINC001204279436 1090939180 /nfs/dbraw/zinc/93/91/80/1090939180.db2.gz ZCZJVOVJLYWWEN-UHFFFAOYSA-N 0 3 312.413 3.037 20 10 DGCDHN CN(Cc1ccncc1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337956 1091146550 /nfs/dbraw/zinc/14/65/50/1091146550.db2.gz HWAJFEIRSVDMSX-UHFFFAOYSA-N 0 3 323.440 3.118 20 10 DGCDHN C[C@@]1([NH3+])CCCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205287913 1091165468 /nfs/dbraw/zinc/16/54/68/1091165468.db2.gz DAEMFOWVXDYGLY-CQSZACIVSA-N 0 3 303.233 3.402 20 10 DGCDHN CCN(CC)c1ccc(CN(C)[C@@H]2CCCOC2)c(OC)c1 ZINC001138392031 1091165787 /nfs/dbraw/zinc/16/57/87/1091165787.db2.gz MXWAVXKLHSQVMH-QGZVFWFLSA-N 0 3 306.450 3.152 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(O)cc1OC ZINC001139144859 1091463083 /nfs/dbraw/zinc/46/30/83/1091463083.db2.gz KXZXJDDDQGBWNV-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCCOC2)c1[O-] ZINC000401590409 1091530394 /nfs/dbraw/zinc/53/03/94/1091530394.db2.gz WKZLWYSNJCYXLC-ZDUSSCGKSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCCOC2)c1[O-] ZINC000401590409 1091530405 /nfs/dbraw/zinc/53/04/05/1091530405.db2.gz WKZLWYSNJCYXLC-ZDUSSCGKSA-N 0 3 314.223 3.074 20 10 DGCDHN N[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CC[C@@H]1F ZINC001206201819 1091531984 /nfs/dbraw/zinc/53/19/84/1091531984.db2.gz YZWAOVUGQYUFLD-ZWKOTPCHSA-N 0 3 314.404 3.320 20 10 DGCDHN N[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CC[C@@H]1F ZINC001206201819 1091531990 /nfs/dbraw/zinc/53/19/90/1091531990.db2.gz YZWAOVUGQYUFLD-ZWKOTPCHSA-N 0 3 314.404 3.320 20 10 DGCDHN COC(=O)c1[nH]c2ccccc2c1CN(C)Cc1ccccc1O ZINC001139399777 1091546570 /nfs/dbraw/zinc/54/65/70/1091546570.db2.gz VGXTXBBSRBFBGU-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN COc1ccc2[nH]nc(CN(C)Cc3ccc(N(C)C)cc3)c2c1 ZINC001140070380 1091758645 /nfs/dbraw/zinc/75/86/45/1091758645.db2.gz FZTLQPSUGBHYED-UHFFFAOYSA-N 0 3 324.428 3.270 20 10 DGCDHN Cc1c[nH]c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC001140860704 1092034665 /nfs/dbraw/zinc/03/46/65/1092034665.db2.gz YALNYYDRTPGNMM-UHFFFAOYSA-N 0 3 313.445 3.100 20 10 DGCDHN CN(C)c1ccc(CN2CCCC[C@](O)(CF)C2)c(Cl)c1 ZINC001140921471 1092063473 /nfs/dbraw/zinc/06/34/73/1092063473.db2.gz DYWJQMIDBXPOJK-INIZCTEOSA-N 0 3 314.832 3.093 20 10 DGCDHN COC(=O)[C@H]1C[C@@H](C)CN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925779 1092065128 /nfs/dbraw/zinc/06/51/28/1092065128.db2.gz VODYAGDUGFQLND-OCCSQVGLSA-N 0 3 324.852 3.037 20 10 DGCDHN COC(=O)CC[C@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926017 1092066726 /nfs/dbraw/zinc/06/67/26/1092066726.db2.gz XMWSNINMBQOZME-ZDUSSCGKSA-N 0 3 324.852 3.181 20 10 DGCDHN Cc1noc([C@H]2CCN(Cc3ccc(N(C)C)cc3Cl)C2)n1 ZINC001140926083 1092066944 /nfs/dbraw/zinc/06/69/44/1092066944.db2.gz YXEKAZIRNXCQQW-ZDUSSCGKSA-N 0 3 320.824 3.087 20 10 DGCDHN Cc1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)c([O-])c1 ZINC001140950019 1092074352 /nfs/dbraw/zinc/07/43/52/1092074352.db2.gz QXPXCCFZJXYRHW-UHFFFAOYSA-N 0 3 323.392 3.362 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140948015 1092074415 /nfs/dbraw/zinc/07/44/15/1092074415.db2.gz PQPNTLGNFCMGFF-SFHVURJKSA-N 0 3 305.418 3.256 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140948015 1092074426 /nfs/dbraw/zinc/07/44/26/1092074426.db2.gz PQPNTLGNFCMGFF-SFHVURJKSA-N 0 3 305.418 3.256 20 10 DGCDHN Cc1ccc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001140952397 1092077831 /nfs/dbraw/zinc/07/78/31/1092077831.db2.gz QGNUZBHARUONQO-UHFFFAOYSA-N 0 3 320.433 3.143 20 10 DGCDHN Cc1ccc(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001140958354 1092082406 /nfs/dbraw/zinc/08/24/06/1092082406.db2.gz YUXGIJGEZJVSQZ-UHFFFAOYSA-N 0 3 322.449 3.437 20 10 DGCDHN Cc1ccc(C[N@@H+](C)CCCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001140958354 1092082413 /nfs/dbraw/zinc/08/24/13/1092082413.db2.gz YUXGIJGEZJVSQZ-UHFFFAOYSA-N 0 3 322.449 3.437 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@@H]2c2cccnc2)c(OC)c1 ZINC001141028818 1092110500 /nfs/dbraw/zinc/11/05/00/1092110500.db2.gz AWXWXUXWJVRTNJ-MRXNPFEDSA-N 0 3 314.385 3.142 20 10 DGCDHN COc1ccc(C2=CCN(Cc3cc(O)ccc3O)CC2)cc1 ZINC001141162156 1092157512 /nfs/dbraw/zinc/15/75/12/1092157512.db2.gz LWALJUNPDWYYLY-UHFFFAOYSA-N 0 3 311.381 3.396 20 10 DGCDHN CN(CC[N@H+](C)Cc1cc(F)c(F)cc1[O-])Cc1ccccc1 ZINC001142530966 1092496673 /nfs/dbraw/zinc/49/66/73/1092496673.db2.gz MUFQPGSUAVJSST-UHFFFAOYSA-N 0 3 320.383 3.234 20 10 DGCDHN CN(CC[N@@H+](C)Cc1cc(F)c(F)cc1[O-])Cc1ccccc1 ZINC001142530966 1092496684 /nfs/dbraw/zinc/49/66/84/1092496684.db2.gz MUFQPGSUAVJSST-UHFFFAOYSA-N 0 3 320.383 3.234 20 10 DGCDHN CN(CC[N@H+](C)Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142530966 1092496694 /nfs/dbraw/zinc/49/66/94/1092496694.db2.gz MUFQPGSUAVJSST-UHFFFAOYSA-N 0 3 320.383 3.234 20 10 DGCDHN CN(CC[N@@H+](C)Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142530966 1092496698 /nfs/dbraw/zinc/49/66/98/1092496698.db2.gz MUFQPGSUAVJSST-UHFFFAOYSA-N 0 3 320.383 3.234 20 10 DGCDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(F)c1O ZINC001209528596 1092812377 /nfs/dbraw/zinc/81/23/77/1092812377.db2.gz IEPWPTDWYKYRAR-UHFFFAOYSA-N 0 3 318.392 3.238 20 10 DGCDHN C[C@]1([NH2+]Cc2cc(F)ccc2[O-])CCN(Cc2ccccc2)C1 ZINC000405951846 1094459985 /nfs/dbraw/zinc/45/99/85/1094459985.db2.gz GQTLUUYFMZNTCZ-IBGZPJMESA-N 0 3 314.404 3.286 20 10 DGCDHN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000697820964 1095050933 /nfs/dbraw/zinc/05/09/33/1095050933.db2.gz AIWLRTJRLQUKGS-JSGCOSHPSA-N 0 3 320.433 3.130 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222355714 1095569908 /nfs/dbraw/zinc/56/99/08/1095569908.db2.gz UDLVMWFWAVQZBO-OAHLLOKOSA-N 0 3 314.351 3.129 20 10 DGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C2(C)CC2)c1[O-] ZINC001118387030 1095993870 /nfs/dbraw/zinc/99/38/70/1095993870.db2.gz LDAFLWGFKPHGAY-MRVPVSSYSA-N 0 3 300.196 3.366 20 10 DGCDHN COc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)cc1F ZINC001277009198 1096324545 /nfs/dbraw/zinc/32/45/45/1096324545.db2.gz GVGPVWIDQSSBQF-IRXDYDNUSA-N 0 3 315.392 3.016 20 10 DGCDHN O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC001171867497 1096994549 /nfs/dbraw/zinc/99/45/49/1096994549.db2.gz ZUPNSKMSTVSXTL-SFHVURJKSA-N 0 3 324.424 3.177 20 10 DGCDHN CCOC(=O)[C@@H]1CC12CCC([N@H+](C)Cc1ccccc1[O-])CC2 ZINC001173617991 1097483313 /nfs/dbraw/zinc/48/33/13/1097483313.db2.gz CTALTYMWGKQRAM-WUJZJPHMSA-N 0 3 317.429 3.336 20 10 DGCDHN CCOC(=O)[C@@H]1CC12CCC([N@@H+](C)Cc1ccccc1[O-])CC2 ZINC001173617991 1097483317 /nfs/dbraw/zinc/48/33/17/1097483317.db2.gz CTALTYMWGKQRAM-WUJZJPHMSA-N 0 3 317.429 3.336 20 10 DGCDHN O=C1CCC2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)O1 ZINC001231590339 1097786270 /nfs/dbraw/zinc/78/62/70/1097786270.db2.gz UWZIJFONBFVVKH-UHFFFAOYSA-N 0 3 311.381 3.217 20 10 DGCDHN Cc1cccc(CN2CCN(c3noc4ccccc43)CC2)c1O ZINC001231591136 1097787391 /nfs/dbraw/zinc/78/73/91/1097787391.db2.gz UHMMGCIOHZWSMV-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN Cc1cccc(CN2CCN(c3nccc4occc43)CC2)c1O ZINC001231592545 1097787423 /nfs/dbraw/zinc/78/74/23/1097787423.db2.gz OIAHRRGESMQFRX-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN COc1cc(CN2CCC[C@@H]2c2ccc(C)nc2)c(O)cc1O ZINC001231637645 1097797977 /nfs/dbraw/zinc/79/79/77/1097797977.db2.gz PJJIRTRHHRQKJJ-OAHLLOKOSA-N 0 3 314.385 3.147 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC001175419786 1098040589 /nfs/dbraw/zinc/04/05/89/1098040589.db2.gz YJEBKEYMHWROIZ-SNVBAGLBSA-N 0 3 322.767 3.474 20 10 DGCDHN COc1cc(O)cc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001232807947 1098141036 /nfs/dbraw/zinc/14/10/36/1098141036.db2.gz YNPJASDHOKWJJV-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(O)cc(OC)c1 ZINC001232809114 1098142421 /nfs/dbraw/zinc/14/24/21/1098142421.db2.gz MHHQNJOSYPZGMG-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CCC[N@H+](CCOC)Cc1cc(Br)cc(C)c1[O-] ZINC001233105865 1098228111 /nfs/dbraw/zinc/22/81/11/1098228111.db2.gz BSKNXECVZCUGPG-UHFFFAOYSA-N 0 3 316.239 3.322 20 10 DGCDHN CCC[N@@H+](CCOC)Cc1cc(Br)cc(C)c1[O-] ZINC001233105865 1098228115 /nfs/dbraw/zinc/22/81/15/1098228115.db2.gz BSKNXECVZCUGPG-UHFFFAOYSA-N 0 3 316.239 3.322 20 10 DGCDHN Cc1ccc2c(c1Nc1ncc[nH]1)C(=O)c1ccccc1C2=O ZINC001176085242 1098246169 /nfs/dbraw/zinc/24/61/69/1098246169.db2.gz ZLETWQONTADNHB-UHFFFAOYSA-N 0 3 303.321 3.237 20 10 DGCDHN CCOC(=O)c1c(CN2CCC[C@H]2C)c2ccccc2n1C ZINC001233270646 1098269981 /nfs/dbraw/zinc/26/99/81/1098269981.db2.gz VIXDCBPHSOZAKE-CYBMUJFWSA-N 0 3 300.402 3.339 20 10 DGCDHN CC[NH+](CC)CCN(C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451439 1098337984 /nfs/dbraw/zinc/33/79/84/1098337984.db2.gz KTHYIOKVHUHJKQ-UHFFFAOYSA-N 0 3 304.356 3.185 20 10 DGCDHN [O-]c1c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cccc1OC(F)(F)F ZINC001233737115 1098419580 /nfs/dbraw/zinc/41/95/80/1098419580.db2.gz WHFUGFQGZHUARA-ZJUUUORDSA-N 0 3 323.261 3.378 20 10 DGCDHN [O-]c1c(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)cccc1OC(F)(F)F ZINC001233737115 1098419583 /nfs/dbraw/zinc/41/95/83/1098419583.db2.gz WHFUGFQGZHUARA-ZJUUUORDSA-N 0 3 323.261 3.378 20 10 DGCDHN CC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234992874 1098739185 /nfs/dbraw/zinc/73/91/85/1098739185.db2.gz SNKRAUXWUJXSMT-UHFFFAOYSA-N 0 3 324.424 3.160 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235116239 1098815643 /nfs/dbraw/zinc/81/56/43/1098815643.db2.gz FJMGFBIHYHYSAV-HNNXBMFYSA-N 0 3 314.351 3.129 20 10 DGCDHN CC[N@H+](CCCC(=O)OC)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235674418 1099118308 /nfs/dbraw/zinc/11/83/08/1099118308.db2.gz FTAZRGHOVYHVMC-UHFFFAOYSA-N 0 3 307.434 3.465 20 10 DGCDHN CC[N@@H+](CCCC(=O)OC)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235674418 1099118319 /nfs/dbraw/zinc/11/83/19/1099118319.db2.gz FTAZRGHOVYHVMC-UHFFFAOYSA-N 0 3 307.434 3.465 20 10 DGCDHN COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678729 1099122574 /nfs/dbraw/zinc/12/25/74/1099122574.db2.gz MDAQZHPDKAOVOY-AWEZNQCLSA-N 0 3 319.445 3.465 20 10 DGCDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678729 1099122577 /nfs/dbraw/zinc/12/25/77/1099122577.db2.gz MDAQZHPDKAOVOY-AWEZNQCLSA-N 0 3 319.445 3.465 20 10 DGCDHN CC(C)(C)c1ccc(CN2CCOC3(CCOCC3)C2)c(O)c1 ZINC001235680467 1099123641 /nfs/dbraw/zinc/12/36/41/1099123641.db2.gz VJGPDJHLBFJVNZ-UHFFFAOYSA-N 0 3 319.445 3.071 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c([O-])c1 ZINC001235682491 1099126212 /nfs/dbraw/zinc/12/62/12/1099126212.db2.gz XMNIEGOBWZXDGA-CJNGLKHVSA-N 0 3 301.430 3.491 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c([O-])c1 ZINC001235682491 1099126215 /nfs/dbraw/zinc/12/62/15/1099126215.db2.gz XMNIEGOBWZXDGA-CJNGLKHVSA-N 0 3 301.430 3.491 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235847993 1099208777 /nfs/dbraw/zinc/20/87/77/1099208777.db2.gz PIWQQAPNQZQPJY-KRWDZBQOSA-N 0 3 316.832 3.062 20 10 DGCDHN CCCCC[N@H+](C)Cc1cc(O)c(Br)cc1[O-] ZINC001236772797 1099779336 /nfs/dbraw/zinc/77/93/36/1099779336.db2.gz LBXCVHSYSVGBFJ-UHFFFAOYSA-N 0 3 302.212 3.482 20 10 DGCDHN CCCCC[N@@H+](C)Cc1cc(O)c(Br)cc1[O-] ZINC001236772797 1099779343 /nfs/dbraw/zinc/77/93/43/1099779343.db2.gz LBXCVHSYSVGBFJ-UHFFFAOYSA-N 0 3 302.212 3.482 20 10 DGCDHN COc1cc(C[N@H+](C)CCC2CC2)c([O-])cc1Br ZINC001236757768 1099771787 /nfs/dbraw/zinc/77/17/87/1099771787.db2.gz XJFMELGEWXXQNT-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1cc(C[N@@H+](C)CCC2CC2)c([O-])cc1Br ZINC001236757768 1099771796 /nfs/dbraw/zinc/77/17/96/1099771796.db2.gz XJFMELGEWXXQNT-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC3(CCCOC3)CC2)c([O-])c1 ZINC001236817695 1099806846 /nfs/dbraw/zinc/80/68/46/1099806846.db2.gz GAAAFKOIFRFKLC-UHFFFAOYSA-N 0 3 305.418 3.102 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001236826836 1099811245 /nfs/dbraw/zinc/81/12/45/1099811245.db2.gz NZUBEJVSEKAONE-ZBFHGGJFSA-N 0 3 305.324 3.011 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001236826836 1099811259 /nfs/dbraw/zinc/81/12/59/1099811259.db2.gz NZUBEJVSEKAONE-ZBFHGGJFSA-N 0 3 305.324 3.011 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c([O-])c1 ZINC001237047896 1099941229 /nfs/dbraw/zinc/94/12/29/1099941229.db2.gz FVUBVLZVEKYNSI-UHFFFAOYSA-N 0 3 316.445 3.150 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001237048279 1099942199 /nfs/dbraw/zinc/94/21/99/1099942199.db2.gz JBGKPKWKHUPQGN-LJQANCHMSA-N 0 3 316.445 3.150 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001237048279 1099942210 /nfs/dbraw/zinc/94/22/10/1099942210.db2.gz JBGKPKWKHUPQGN-LJQANCHMSA-N 0 3 316.445 3.150 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c([O-])c1 ZINC001237047966 1099943110 /nfs/dbraw/zinc/94/31/10/1099943110.db2.gz BEZHNKOXYKKARC-UHFFFAOYSA-N 0 3 324.415 3.431 20 10 DGCDHN CC(C)c1ccc(CN2CCN(c3cccnc3)CC2)c(O)c1 ZINC001237044111 1099943175 /nfs/dbraw/zinc/94/31/75/1099943175.db2.gz AQKSTEASFAGOJD-UHFFFAOYSA-N 0 3 311.429 3.233 20 10 DGCDHN CCO[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001237051480 1099944808 /nfs/dbraw/zinc/94/48/08/1099944808.db2.gz LIOKAXMSLXOYDI-QRQLOZEOSA-N 0 3 319.445 3.284 20 10 DGCDHN CCO[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001237051480 1099944820 /nfs/dbraw/zinc/94/48/20/1099944820.db2.gz LIOKAXMSLXOYDI-QRQLOZEOSA-N 0 3 319.445 3.284 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c([O-])c1 ZINC001237049435 1099945700 /nfs/dbraw/zinc/94/57/00/1099945700.db2.gz OWGXYSFVBQHNEM-UHFFFAOYSA-N 0 3 303.402 3.187 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CC2(CCC2)C1 ZINC001237053309 1099948772 /nfs/dbraw/zinc/94/87/72/1099948772.db2.gz JMMCKWKXUURSSH-UHFFFAOYSA-N 0 3 301.308 3.319 20 10 DGCDHN C[N@H+](Cc1c([O-])cccc1OC(F)(F)F)[C@H]1CC[C@H](O)CC1 ZINC001237118502 1099979848 /nfs/dbraw/zinc/97/98/48/1099979848.db2.gz XQEQYECBODBFQP-XYPYZODXSA-N 0 3 319.323 3.026 20 10 DGCDHN C[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)[C@H]1CC[C@H](O)CC1 ZINC001237118502 1099979854 /nfs/dbraw/zinc/97/98/54/1099979854.db2.gz XQEQYECBODBFQP-XYPYZODXSA-N 0 3 319.323 3.026 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@]1(C)O ZINC001237138075 1099988248 /nfs/dbraw/zinc/98/82/48/1099988248.db2.gz SVVIURHNAHPDLL-QMTHXVAHSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@]1(C)O ZINC001237138075 1099988260 /nfs/dbraw/zinc/98/82/60/1099988260.db2.gz SVVIURHNAHPDLL-QMTHXVAHSA-N 0 3 303.324 3.004 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237139178 1099988819 /nfs/dbraw/zinc/98/88/19/1099988819.db2.gz DINIOMJCMJSMKN-IKARSPCKSA-N 0 3 313.319 3.020 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237139178 1099988832 /nfs/dbraw/zinc/98/88/32/1099988832.db2.gz DINIOMJCMJSMKN-IKARSPCKSA-N 0 3 313.319 3.020 20 10 DGCDHN CO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@@H](C)C1 ZINC001237139699 1099989031 /nfs/dbraw/zinc/98/90/31/1099989031.db2.gz BWWGQEBWTSQEQT-GXFFZTMASA-N 0 3 303.324 3.410 20 10 DGCDHN CO[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@@H](C)C1 ZINC001237139699 1099989039 /nfs/dbraw/zinc/98/90/39/1099989039.db2.gz BWWGQEBWTSQEQT-GXFFZTMASA-N 0 3 303.324 3.410 20 10 DGCDHN C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138190 1099989686 /nfs/dbraw/zinc/98/96/86/1099989686.db2.gz VPUPURRYETYKQC-QWRGUYRKSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138190 1099989690 /nfs/dbraw/zinc/98/96/90/1099989690.db2.gz VPUPURRYETYKQC-QWRGUYRKSA-N 0 3 303.324 3.004 20 10 DGCDHN CC1(C)CN(Cc2cc(C(F)(F)F)ccc2O)CCCO1 ZINC001237141318 1099991600 /nfs/dbraw/zinc/99/16/00/1099991600.db2.gz VMSCRDADDBPTSR-UHFFFAOYSA-N 0 3 303.324 3.412 20 10 DGCDHN CC1(C)C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCCO1 ZINC001237141318 1099991608 /nfs/dbraw/zinc/99/16/08/1099991608.db2.gz VMSCRDADDBPTSR-UHFFFAOYSA-N 0 3 303.324 3.412 20 10 DGCDHN CC1(C)C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCCO1 ZINC001237141318 1099991617 /nfs/dbraw/zinc/99/16/17/1099991617.db2.gz VMSCRDADDBPTSR-UHFFFAOYSA-N 0 3 303.324 3.412 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237142286 1099994660 /nfs/dbraw/zinc/99/46/60/1099994660.db2.gz GJWOWIBYKRUFNT-QMTHXVAHSA-N 0 3 301.308 3.022 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237142286 1099994673 /nfs/dbraw/zinc/99/46/73/1099994673.db2.gz GJWOWIBYKRUFNT-QMTHXVAHSA-N 0 3 301.308 3.022 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001237484570 1100139378 /nfs/dbraw/zinc/13/93/78/1100139378.db2.gz FYUXUBDOFISDSM-WFASDCNBSA-N 0 3 317.351 3.226 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001237484570 1100139385 /nfs/dbraw/zinc/13/93/85/1100139385.db2.gz FYUXUBDOFISDSM-WFASDCNBSA-N 0 3 317.351 3.226 20 10 DGCDHN Cc1cccc(O)c1CN1CCN(c2ccccc2F)CC1 ZINC001237489897 1100140846 /nfs/dbraw/zinc/14/08/46/1100140846.db2.gz NCWBNVZDYAGOMH-UHFFFAOYSA-N 0 3 300.377 3.162 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001237489684 1100141796 /nfs/dbraw/zinc/14/17/96/1100141796.db2.gz CXHAPTPBKRYBES-CQSZACIVSA-N 0 3 305.418 3.397 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001237489684 1100141798 /nfs/dbraw/zinc/14/17/98/1100141798.db2.gz CXHAPTPBKRYBES-CQSZACIVSA-N 0 3 305.418 3.397 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001237495614 1100145392 /nfs/dbraw/zinc/14/53/92/1100145392.db2.gz SWPTWYNWXNDKAN-IRXDYDNUSA-N 0 3 308.425 3.269 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCOC2)cc1Br ZINC001237684179 1100213837 /nfs/dbraw/zinc/21/38/37/1100213837.db2.gz HPBCBLIVUAFZLJ-GFCCVEGCSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCCOC2)cc1Br ZINC001237684179 1100213846 /nfs/dbraw/zinc/21/38/46/1100213846.db2.gz HPBCBLIVUAFZLJ-GFCCVEGCSA-N 0 3 314.223 3.074 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CCN1C ZINC001237648145 1100201723 /nfs/dbraw/zinc/20/17/23/1100201723.db2.gz YCDWNDDFVGUOFU-CQSZACIVSA-N 0 3 314.404 3.334 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CCN1C ZINC001237648145 1100201727 /nfs/dbraw/zinc/20/17/27/1100201727.db2.gz YCDWNDDFVGUOFU-CQSZACIVSA-N 0 3 314.404 3.334 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cc(OC)cc(OC)c1O ZINC001237682262 1100211562 /nfs/dbraw/zinc/21/15/62/1100211562.db2.gz XDMQIDIJIZVJMH-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cc(OC)cc(OC)c1O ZINC001237682262 1100211566 /nfs/dbraw/zinc/21/15/66/1100211566.db2.gz XDMQIDIJIZVJMH-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+](CCCO)C(C)C)cc1Br ZINC001237678747 1100213090 /nfs/dbraw/zinc/21/30/90/1100213090.db2.gz LWMZJQJSZPOIOR-UHFFFAOYSA-N 0 3 316.239 3.056 20 10 DGCDHN Cc1cc([O-])c(C[N@H+](CCCO)C(C)C)cc1Br ZINC001237678747 1100213094 /nfs/dbraw/zinc/21/30/94/1100213094.db2.gz LWMZJQJSZPOIOR-UHFFFAOYSA-N 0 3 316.239 3.056 20 10 DGCDHN Cc1cc(Cl)cc(CN2CC[C@]3(C2)CC(F)(F)CO3)c1O ZINC001237686205 1100214393 /nfs/dbraw/zinc/21/43/93/1100214393.db2.gz ISBAYTGKEOAHJJ-CQSZACIVSA-N 0 3 317.763 3.354 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1[O-] ZINC001237686205 1100214402 /nfs/dbraw/zinc/21/44/02/1100214402.db2.gz ISBAYTGKEOAHJJ-CQSZACIVSA-N 0 3 317.763 3.354 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1[O-] ZINC001237686205 1100214409 /nfs/dbraw/zinc/21/44/09/1100214409.db2.gz ISBAYTGKEOAHJJ-CQSZACIVSA-N 0 3 317.763 3.354 20 10 DGCDHN CCC[N@H+](CCCN(C)C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237939380 1100299462 /nfs/dbraw/zinc/29/94/62/1100299462.db2.gz BNWITUCKVKBVCH-UHFFFAOYSA-N 0 3 302.821 3.348 20 10 DGCDHN CCC[N@@H+](CCCN(C)C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237939380 1100299467 /nfs/dbraw/zinc/29/94/67/1100299467.db2.gz BNWITUCKVKBVCH-UHFFFAOYSA-N 0 3 302.821 3.348 20 10 DGCDHN Cc1cc(F)cc(CN2CCCC[C@](O)(C(F)(F)F)C2)c1O ZINC001238059548 1100345711 /nfs/dbraw/zinc/34/57/11/1100345711.db2.gz DOQRRHHWLZFVAF-CQSZACIVSA-N 0 3 321.314 3.119 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2[O-])C[C@H]1C ZINC001238067564 1100347412 /nfs/dbraw/zinc/34/74/12/1100347412.db2.gz UVKXOOZWYXPPST-ZIAGYGMSSA-N 0 3 323.408 3.251 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(F)cc(C)c2[O-])C[C@H]1C ZINC001238067564 1100347419 /nfs/dbraw/zinc/34/74/19/1100347419.db2.gz UVKXOOZWYXPPST-ZIAGYGMSSA-N 0 3 323.408 3.251 20 10 DGCDHN Cn1ccc(-c2ccc(C[N@@H+]3CCc4cccc([O-])c4C3)cc2)n1 ZINC001248767085 1105158442 /nfs/dbraw/zinc/15/84/42/1105158442.db2.gz STIMIWCXPRKKPQ-UHFFFAOYSA-N 0 3 319.408 3.351 20 10 DGCDHN Cn1ccc(-c2ccc(C[N@H+]3CCc4cccc([O-])c4C3)cc2)n1 ZINC001248767085 1105158444 /nfs/dbraw/zinc/15/84/44/1105158444.db2.gz STIMIWCXPRKKPQ-UHFFFAOYSA-N 0 3 319.408 3.351 20 10 DGCDHN C[C@H]1COCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223809 1105249763 /nfs/dbraw/zinc/24/97/63/1105249763.db2.gz NFDHGVFHCYSGRH-CYBMUJFWSA-N 0 3 303.402 3.045 20 10 DGCDHN C[C@H]1COCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223809 1105249765 /nfs/dbraw/zinc/24/97/65/1105249765.db2.gz NFDHGVFHCYSGRH-CYBMUJFWSA-N 0 3 303.402 3.045 20 10 DGCDHN Cc1ccc(F)cc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249339106 1105270602 /nfs/dbraw/zinc/27/06/02/1105270602.db2.gz JCSSZZJSYZFPSL-CQSZACIVSA-N 0 3 313.332 3.132 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C1 ZINC001255353876 1106230985 /nfs/dbraw/zinc/23/09/85/1106230985.db2.gz QADGLMYITJHCSI-CABCVRRESA-N 0 3 305.418 3.221 20 10 DGCDHN c1nc2n(c1CNCc1ccc(N3CCCC3)cc1)CCCC2 ZINC001257261485 1106558481 /nfs/dbraw/zinc/55/84/81/1106558481.db2.gz NZMFSJRNHMUMHZ-UHFFFAOYSA-N 0 3 310.445 3.109 20 10 DGCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1cccc(N(C)C)n1 ZINC001323830045 1108098580 /nfs/dbraw/zinc/09/85/80/1108098580.db2.gz PAWIVVOFIHGLMD-ZFWWWQNUSA-N 0 3 311.429 3.500 20 10 DGCDHN COc1ccc(C[C@@H](C)[N@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC001319716453 1108608262 /nfs/dbraw/zinc/60/82/62/1108608262.db2.gz PUORDOOPUJZUOR-CQSZACIVSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccc(C[C@@H](C)[N@@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC001319716453 1108608269 /nfs/dbraw/zinc/60/82/69/1108608269.db2.gz PUORDOOPUJZUOR-CQSZACIVSA-N 0 3 315.413 3.472 20 10 DGCDHN CN(C)c1cc(F)c(CN(CCO)C2CCCCC2)cc1F ZINC001308560259 1111444418 /nfs/dbraw/zinc/44/44/18/1111444418.db2.gz INJQWMKFSPWBDS-UHFFFAOYSA-N 0 3 312.404 3.158 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)c([O-])c1 ZINC001308667836 1111458377 /nfs/dbraw/zinc/45/83/77/1111458377.db2.gz GGWIADCZUXLCLO-APWZRJJASA-N 0 3 310.441 3.311 20 10 DGCDHN Cc1ccc(CN[C@H](CC(N)=O)c2cccc(Cl)c2)c(O)c1 ZINC001308674542 1111459230 /nfs/dbraw/zinc/45/92/30/1111459230.db2.gz RPJOYQRLTMTLNL-OAHLLOKOSA-N 0 3 318.804 3.060 20 10 DGCDHN CCOc1ccc(O)c(CN(C)Cc2ccc(OC)c(O)c2)c1 ZINC000092405211 185316392 /nfs/dbraw/zinc/31/63/92/185316392.db2.gz DKBWJODPXZJYNF-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN CN(C)c1ccc(CN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000360638426 529780294 /nfs/dbraw/zinc/78/02/94/529780294.db2.gz NUBRGCFJWYRHHL-UHFFFAOYSA-N 0 3 318.852 3.440 20 10 DGCDHN CN(C)c1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1F ZINC000371811955 529780379 /nfs/dbraw/zinc/78/03/79/529780379.db2.gz YVDBQOJOMXCXKH-INIZCTEOSA-N 0 3 306.425 3.140 20 10 DGCDHN CCOc1cccc(CN2CCC[C@@H]2c2cccn2C)c1O ZINC000179706503 432068757 /nfs/dbraw/zinc/06/87/57/432068757.db2.gz KWRMSWPGBRDXOE-MRXNPFEDSA-N 0 3 300.402 3.467 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000092066891 193151383 /nfs/dbraw/zinc/15/13/83/193151383.db2.gz IHJVOQNQAQSWPK-QAPCUYQASA-N 0 3 300.446 3.149 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000092066891 193151386 /nfs/dbraw/zinc/15/13/86/193151386.db2.gz IHJVOQNQAQSWPK-QAPCUYQASA-N 0 3 300.446 3.149 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360302 193239053 /nfs/dbraw/zinc/23/90/53/193239053.db2.gz WHSQEBIRZWYOOA-CYBMUJFWSA-N 0 3 308.422 3.046 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360302 193239055 /nfs/dbraw/zinc/23/90/55/193239055.db2.gz WHSQEBIRZWYOOA-CYBMUJFWSA-N 0 3 308.422 3.046 20 10 DGCDHN Cc1ccc(O)c(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360302 193239057 /nfs/dbraw/zinc/23/90/57/193239057.db2.gz WHSQEBIRZWYOOA-CYBMUJFWSA-N 0 3 308.422 3.046 20 10 DGCDHN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000268882300 432146601 /nfs/dbraw/zinc/14/66/01/432146601.db2.gz YBJIGCSGICCDOX-GFCCVEGCSA-N 0 3 322.206 3.045 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)CC2 ZINC000296199987 285397653 /nfs/dbraw/zinc/39/76/53/285397653.db2.gz YWDVIJUBWJBULJ-CVEARBPZSA-N 0 3 312.413 3.399 20 10 DGCDHN C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183546809 533351123 /nfs/dbraw/zinc/35/11/23/533351123.db2.gz GMTOWLBJTVGBHO-GFCCVEGCSA-N 0 3 308.422 3.346 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc([S@](C)=O)cc1 ZINC000272421159 130028768 /nfs/dbraw/zinc/02/87/68/130028768.db2.gz LZCQUHNYOGHGAQ-MQJDWESPSA-N 0 3 307.390 3.120 20 10 DGCDHN COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000272928634 130075534 /nfs/dbraw/zinc/07/55/34/130075534.db2.gz ZEVMBWJGEZPUEE-ZDUSSCGKSA-N 0 3 314.385 3.464 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1 ZINC000273297307 130104046 /nfs/dbraw/zinc/10/40/46/130104046.db2.gz AKABCRSSKRIWLK-MLGOLLRUSA-N 0 3 320.458 3.416 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000273303163 130105464 /nfs/dbraw/zinc/10/54/64/130105464.db2.gz CDEVBTOEYPWJOP-OAHLLOKOSA-N 0 3 322.412 3.191 20 10 DGCDHN CNC(=O)c1cccc(CN[C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273402633 130117567 /nfs/dbraw/zinc/11/75/67/130117567.db2.gz NPJHZYGISDTXMG-CQSZACIVSA-N 0 3 312.413 3.219 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c([O-])c1C ZINC000273619877 130145204 /nfs/dbraw/zinc/14/52/04/130145204.db2.gz YRGWXBIBOZQDDT-INIZCTEOSA-N 0 3 318.461 3.452 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000273723028 130158740 /nfs/dbraw/zinc/15/87/40/130158740.db2.gz ISHUPWOPHZTTGZ-VXGBXAGGSA-N 0 3 313.825 3.349 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])[C@@]12CCCO2 ZINC000274120556 130208806 /nfs/dbraw/zinc/20/88/06/130208806.db2.gz AJZJCTXAVKGPIK-RMRDIRSESA-N 0 3 319.445 3.386 20 10 DGCDHN Cc1cncc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000274613821 130248848 /nfs/dbraw/zinc/24/88/48/130248848.db2.gz OACGMNMDQFIQMD-MRXNPFEDSA-N 0 3 311.429 3.077 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC2)c1[O-] ZINC000275272373 130300669 /nfs/dbraw/zinc/30/06/69/130300669.db2.gz CFYLEILCWKQULO-QWRGUYRKSA-N 0 3 314.223 3.150 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(C)(C)O)c1[O-] ZINC000275289369 130302466 /nfs/dbraw/zinc/30/24/66/130302466.db2.gz GCKVGDFTMHMSQC-SNVBAGLBSA-N 0 3 316.239 3.275 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283912853 131033301 /nfs/dbraw/zinc/03/33/01/131033301.db2.gz DIWFTEUMVLCJOD-GFCCVEGCSA-N 0 3 314.389 3.094 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283912857 131033523 /nfs/dbraw/zinc/03/35/23/131033523.db2.gz DIWFTEUMVLCJOD-LBPRGKRZSA-N 0 3 314.389 3.094 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c([O-])c1 ZINC000284972335 131127697 /nfs/dbraw/zinc/12/76/97/131127697.db2.gz FVHYROQYVRECDL-JKSUJKDBSA-N 0 3 311.429 3.334 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000285017845 131132131 /nfs/dbraw/zinc/13/21/31/131132131.db2.gz HJBHHYGLIVKLCR-HNNXBMFYSA-N 0 3 322.412 3.441 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)c1ccccc1 ZINC000288547151 131330340 /nfs/dbraw/zinc/33/03/40/131330340.db2.gz LFUYYPRMTYRPCV-SCLBCKFNSA-N 0 3 302.393 3.103 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H](O)c2ccccc2)c1[O-] ZINC000289396976 131383248 /nfs/dbraw/zinc/38/32/48/131383248.db2.gz FWAXWKCCOBSJAG-OAHLLOKOSA-N 0 3 321.804 3.268 20 10 DGCDHN COc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000140400819 400618026 /nfs/dbraw/zinc/61/80/26/400618026.db2.gz AVJSUCZVDIYBJU-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN C[C@@H]1CN(c2ccc(CNCc3cc[nH]c3)cc2F)C[C@@H](C)O1 ZINC000086251277 401177465 /nfs/dbraw/zinc/17/74/65/401177465.db2.gz XCNGSGVAIVFWEP-ZIAGYGMSSA-N 0 3 317.408 3.057 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000278427058 286338831 /nfs/dbraw/zinc/33/88/31/286338831.db2.gz JCIJOCOGBKZMFX-HIFRSBDPSA-N 0 3 304.434 3.068 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000269086281 432152881 /nfs/dbraw/zinc/15/28/81/432152881.db2.gz PMZQNXPOMUJZMW-VHKYSDTDSA-N 0 3 310.441 3.452 20 10 DGCDHN CNC(=O)C[C@H](C)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000269018113 432150759 /nfs/dbraw/zinc/15/07/59/432150759.db2.gz PEMSFBVSUFXBRD-HNNXBMFYSA-N 0 3 317.477 3.070 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000136691106 227050047 /nfs/dbraw/zinc/05/00/47/227050047.db2.gz IFJHXBBWCLWVJX-HNNXBMFYSA-N 0 3 305.418 3.372 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c([O-])c1 ZINC000185687533 228395142 /nfs/dbraw/zinc/39/51/42/228395142.db2.gz RTJDHJQVOGNBNN-UONOGXRCSA-N 0 3 315.392 3.164 20 10 DGCDHN CCOc1cccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1[O-] ZINC000368236711 276379778 /nfs/dbraw/zinc/37/97/78/276379778.db2.gz VRZQSTGWHLWBTI-INIZCTEOSA-N 0 3 305.418 3.039 20 10 DGCDHN CN(C)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccs1 ZINC000295992085 276866470 /nfs/dbraw/zinc/86/64/70/276866470.db2.gz NTQKXIJTGTXCKK-UONOGXRCSA-N 0 3 302.443 3.334 20 10 DGCDHN CC(C)[C@@H](C[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000115629680 431466463 /nfs/dbraw/zinc/46/64/63/431466463.db2.gz NIXWSKYVPSZLNB-CQSZACIVSA-N 0 3 308.422 3.031 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000121784903 431806557 /nfs/dbraw/zinc/80/65/57/431806557.db2.gz NDWCZZZIMXZNIQ-OAHLLOKOSA-N 0 3 322.412 3.123 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000121784903 431806561 /nfs/dbraw/zinc/80/65/61/431806561.db2.gz NDWCZZZIMXZNIQ-OAHLLOKOSA-N 0 3 322.412 3.123 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(C(N)=O)c2)cc1 ZINC000122219339 431820030 /nfs/dbraw/zinc/82/00/30/431820030.db2.gz QDQLPGOBHSUOJT-AWEZNQCLSA-N 0 3 311.429 3.092 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563845 431916097 /nfs/dbraw/zinc/91/60/97/431916097.db2.gz GVUWRNONDFQPRC-INIZCTEOSA-N 0 3 308.853 3.496 20 10 DGCDHN CC[C@@H](NCc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000090851802 431896283 /nfs/dbraw/zinc/89/62/83/431896283.db2.gz MOFJQYBCDJTIEM-GOSISDBHSA-N 0 3 312.461 3.455 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000183454557 432294807 /nfs/dbraw/zinc/29/48/07/432294807.db2.gz MEMRDQCVXLRMMR-QWHCGFSZSA-N 0 3 319.426 3.208 20 10 DGCDHN CCC(CC)(C[NH2+][C@@H](C)c1cc(OC)ccc1[O-])C(=O)OC ZINC000183877388 432331659 /nfs/dbraw/zinc/33/16/59/432331659.db2.gz GTDQMRFMDKCVCU-LBPRGKRZSA-N 0 3 309.406 3.031 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCSCC[C@@H]2C)c1[O-] ZINC000191816928 432304311 /nfs/dbraw/zinc/30/43/11/432304311.db2.gz MJNRMUUVJXGFQX-JTQLQIEISA-N 0 3 301.839 3.382 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCSCC[C@@H]2C)c1[O-] ZINC000191816928 432304313 /nfs/dbraw/zinc/30/43/13/432304313.db2.gz MJNRMUUVJXGFQX-JTQLQIEISA-N 0 3 301.839 3.382 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000271455823 432398488 /nfs/dbraw/zinc/39/84/88/432398488.db2.gz FKGWJOCHQOTHMD-QAPCUYQASA-N 0 3 307.434 3.474 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OC)c(OC)c2)c1 ZINC000192915739 432428310 /nfs/dbraw/zinc/42/83/10/432428310.db2.gz GPVSWCFIUBZTAX-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)c1 ZINC000192915739 432428313 /nfs/dbraw/zinc/42/83/13/432428313.db2.gz GPVSWCFIUBZTAX-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)CCc2ccncc2)c1[O-] ZINC000184745090 432428606 /nfs/dbraw/zinc/42/86/06/432428606.db2.gz AGCPXCSBMXHBOV-UHFFFAOYSA-N 0 3 306.793 3.124 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCc2ccncc2)c1[O-] ZINC000184745090 432428610 /nfs/dbraw/zinc/42/86/10/432428610.db2.gz AGCPXCSBMXHBOV-UHFFFAOYSA-N 0 3 306.793 3.124 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000192936344 432430251 /nfs/dbraw/zinc/43/02/51/432430251.db2.gz JHMDHLWZJXDQIO-ZDUSSCGKSA-N 0 3 300.402 3.318 20 10 DGCDHN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184948817 432447102 /nfs/dbraw/zinc/44/71/02/432447102.db2.gz KQTVFQDLGZFMBV-SCLBCKFNSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC[C@H]2C[NH+]2CCCC2)c1[O-] ZINC000184684179 432420900 /nfs/dbraw/zinc/42/09/00/432420900.db2.gz CCSZNJYNQSWCPV-HNNXBMFYSA-N 0 3 324.852 3.114 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC([NH2+]C(C)C)CC2)c1[O-] ZINC000184686494 432421150 /nfs/dbraw/zinc/42/11/50/432421150.db2.gz MQQCMJMMPGQBGL-UHFFFAOYSA-N 0 3 312.841 3.017 20 10 DGCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000271762246 432423496 /nfs/dbraw/zinc/42/34/96/432423496.db2.gz FBGZHDQLBDKXAC-HOTGVXAUSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000271762246 432423499 /nfs/dbraw/zinc/42/34/99/432423499.db2.gz FBGZHDQLBDKXAC-HOTGVXAUSA-N 0 3 301.386 3.382 20 10 DGCDHN CCC[N@H+](Cc1cc(OC)ccc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271881342 432426230 /nfs/dbraw/zinc/42/62/30/432426230.db2.gz VCMIBZOWTZOLPB-NXHRZFHOSA-N 0 3 319.445 3.426 20 10 DGCDHN CCC[N@@H+](Cc1cc(OC)ccc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271881342 432426234 /nfs/dbraw/zinc/42/62/34/432426234.db2.gz VCMIBZOWTZOLPB-NXHRZFHOSA-N 0 3 319.445 3.426 20 10 DGCDHN Cc1cccc2oc(CCNCc3ccc4c(c3)CCO4)nc21 ZINC000271842474 432427125 /nfs/dbraw/zinc/42/71/25/432427125.db2.gz RECIDXQTFOXZFA-UHFFFAOYSA-N 0 3 308.381 3.403 20 10 DGCDHN C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000185475468 432503407 /nfs/dbraw/zinc/50/34/07/432503407.db2.gz HJKDITBZTMCCCR-WHEQGISXSA-N 0 3 323.502 3.469 20 10 DGCDHN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185511649 432507752 /nfs/dbraw/zinc/50/77/52/432507752.db2.gz UCYNBXSPWZZTNT-BWACUDIHSA-N 0 3 309.475 3.034 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000185525436 432508949 /nfs/dbraw/zinc/50/89/49/432508949.db2.gz XFOMPDLSWNJUES-HOCLYGCPSA-N 0 3 315.413 3.218 20 10 DGCDHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C12CCC2 ZINC000185551445 432509799 /nfs/dbraw/zinc/50/97/99/432509799.db2.gz XEDYHEJUJUTLFK-JCURWCKSSA-N 0 3 305.418 3.399 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1OC ZINC000185077235 432464242 /nfs/dbraw/zinc/46/42/42/432464242.db2.gz ZVOQEJFLOTZCAQ-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000155412278 432554322 /nfs/dbraw/zinc/55/43/22/432554322.db2.gz NFJQXTGOQOCQQT-JFIYKMOQSA-N 0 3 320.477 3.322 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1[O-] ZINC000186137035 432561433 /nfs/dbraw/zinc/56/14/33/432561433.db2.gz ROJDQMRYXHRTCR-PVXIVEMSSA-N 0 3 311.422 3.237 20 10 DGCDHN CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000185657357 432519985 /nfs/dbraw/zinc/51/99/85/432519985.db2.gz UWXNLBUGRIUJOJ-BOLFOIPXSA-N 0 3 309.475 3.431 20 10 DGCDHN C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185673672 432522880 /nfs/dbraw/zinc/52/28/80/432522880.db2.gz CFHCFJITWLJPTD-ZQIUZPCESA-N 0 3 319.445 3.116 20 10 DGCDHN CCNC(=O)c1ccc(C[NH2+][C@@H](CC)c2ccccc2[O-])cc1 ZINC000155161930 432541548 /nfs/dbraw/zinc/54/15/48/432541548.db2.gz VNSGPCXUXSCGFJ-KRWDZBQOSA-N 0 3 312.413 3.383 20 10 DGCDHN C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000186190342 432567046 /nfs/dbraw/zinc/56/70/46/432567046.db2.gz WNSXCOUTFNGOIM-PIGZYNQJSA-N 0 3 307.340 3.229 20 10 DGCDHN CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604900 432617642 /nfs/dbraw/zinc/61/76/42/432617642.db2.gz SZXDLRBZOVLKPJ-UONOGXRCSA-N 0 3 321.421 3.071 20 10 DGCDHN CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604900 432617646 /nfs/dbraw/zinc/61/76/46/432617646.db2.gz SZXDLRBZOVLKPJ-UONOGXRCSA-N 0 3 321.421 3.071 20 10 DGCDHN CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604900 432617651 /nfs/dbraw/zinc/61/76/51/432617651.db2.gz SZXDLRBZOVLKPJ-UONOGXRCSA-N 0 3 321.421 3.071 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCOC2CCOCC2)c([O-])c1C ZINC000273467758 432601950 /nfs/dbraw/zinc/60/19/50/432601950.db2.gz JDGGUFNMCACAQO-HNNXBMFYSA-N 0 3 307.434 3.245 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1C ZINC000273467227 432601961 /nfs/dbraw/zinc/60/19/61/432601961.db2.gz FAZRCQDNZUEZJI-ARFHVFGLSA-N 0 3 318.461 3.307 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)COC2)c1[O-] ZINC000187199522 432651405 /nfs/dbraw/zinc/65/14/05/432651405.db2.gz GLKGAFUXOGIQBX-SNVBAGLBSA-N 0 3 314.223 3.150 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227686797 432713788 /nfs/dbraw/zinc/71/37/88/432713788.db2.gz JZIKRHSPFKMVSO-QWHCGFSZSA-N 0 3 308.422 3.264 20 10 DGCDHN CC[C@@H](C[NH2+]Cc1cccc(C)c1[O-])NC(=O)OC(C)(C)C ZINC000227714092 432714272 /nfs/dbraw/zinc/71/42/72/432714272.db2.gz VJJRMUFNYXHAAF-AWEZNQCLSA-N 0 3 308.422 3.094 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCCOCC(C)C)c1[O-] ZINC000228670036 432718667 /nfs/dbraw/zinc/71/86/67/432718667.db2.gz JEDMHAHEPDGYOC-UHFFFAOYSA-N 0 3 301.814 3.207 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)CC2 ZINC000296851387 432931919 /nfs/dbraw/zinc/93/19/19/432931919.db2.gz NFZJJSOQHUWQIS-HIFRSBDPSA-N 0 3 321.779 3.495 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H](C)O)c1[O-] ZINC000279222871 432947571 /nfs/dbraw/zinc/94/75/71/432947571.db2.gz ZCPPEZBLFFJMQR-WDEREUQCSA-N 0 3 316.239 3.275 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000278590835 432896802 /nfs/dbraw/zinc/89/68/02/432896802.db2.gz YWYLHMXJQXFCMM-SNVBAGLBSA-N 0 3 309.303 3.268 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1[O-] ZINC000289872845 432977058 /nfs/dbraw/zinc/97/70/58/432977058.db2.gz RJUZNPMMTMCEBF-CZUORRHYSA-N 0 3 324.852 3.137 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1[O-] ZINC000289998110 432983332 /nfs/dbraw/zinc/98/33/32/432983332.db2.gz CTPCGJNNOVKRAO-MEDUHNTESA-N 0 3 321.804 3.266 20 10 DGCDHN CC[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(C)cc1[O-] ZINC000280161117 433008697 /nfs/dbraw/zinc/00/86/97/433008697.db2.gz QQRZMHFJIUYUFT-INIZCTEOSA-N 0 3 305.418 3.427 20 10 DGCDHN CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000290232688 433017404 /nfs/dbraw/zinc/01/74/04/433017404.db2.gz SZWGKXFSAWWXLR-MRXNPFEDSA-N 0 3 313.825 3.039 20 10 DGCDHN CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000290232688 433017409 /nfs/dbraw/zinc/01/74/09/433017409.db2.gz SZWGKXFSAWWXLR-MRXNPFEDSA-N 0 3 313.825 3.039 20 10 DGCDHN CC[C@@H](c1ccncc1)N(C)Cc1cc(OC)c(OC)cc1O ZINC000290375718 433039784 /nfs/dbraw/zinc/03/97/84/433039784.db2.gz HUUZFJUPHUVNAW-HNNXBMFYSA-N 0 3 316.401 3.388 20 10 DGCDHN COc1ccc(O)c(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000290387327 433041706 /nfs/dbraw/zinc/04/17/06/433041706.db2.gz INHAIHAGXHRWBM-HNNXBMFYSA-N 0 3 301.390 3.078 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000290387327 433041709 /nfs/dbraw/zinc/04/17/09/433041709.db2.gz INHAIHAGXHRWBM-HNNXBMFYSA-N 0 3 301.390 3.078 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000290387327 433041713 /nfs/dbraw/zinc/04/17/13/433041713.db2.gz INHAIHAGXHRWBM-HNNXBMFYSA-N 0 3 301.390 3.078 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1[O-] ZINC000374159689 433177104 /nfs/dbraw/zinc/17/71/04/433177104.db2.gz MFUINNOVCCRLKW-IAOVAPTHSA-N 0 3 305.418 3.084 20 10 DGCDHN CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000290841385 433184019 /nfs/dbraw/zinc/18/40/19/433184019.db2.gz IHMFFYXGLYTTHS-HUUCEWRRSA-N 0 3 315.413 3.484 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000291027640 433217770 /nfs/dbraw/zinc/21/77/70/433217770.db2.gz IGTVAKHCFKHLHO-OAHLLOKOSA-N 0 3 314.404 3.456 20 10 DGCDHN CN(C)c1ccc(CNCc2ccn(C)c2)c(C(F)(F)F)c1 ZINC000281028329 433256341 /nfs/dbraw/zinc/25/63/41/433256341.db2.gz YGHJJPBPCBTMAN-UHFFFAOYSA-N 0 3 311.351 3.400 20 10 DGCDHN Cc1n[nH]cc1C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000375271835 433407937 /nfs/dbraw/zinc/40/79/37/433407937.db2.gz HKFJUGYGFAVVOS-UHFFFAOYSA-N 0 3 316.424 3.303 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000292771817 433595825 /nfs/dbraw/zinc/59/58/25/433595825.db2.gz KLYGYVWNSOEMLZ-CQSZACIVSA-N 0 3 304.340 3.039 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000293272386 433680360 /nfs/dbraw/zinc/68/03/60/433680360.db2.gz CLLOBTSVIWPFIG-KGLIPLIRSA-N 0 3 300.377 3.461 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c([O-])c1 ZINC000293771081 433862664 /nfs/dbraw/zinc/86/26/64/433862664.db2.gz PPJQLAFFSGLLFD-HNNXBMFYSA-N 0 3 322.412 3.441 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000305749316 434077427 /nfs/dbraw/zinc/07/74/27/434077427.db2.gz XCFDZIABRWAVPN-IBGZPJMESA-N 0 3 315.388 3.477 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c([O-])c1C ZINC000363870555 434174556 /nfs/dbraw/zinc/17/45/56/434174556.db2.gz XSUZVUGLSXWQGQ-CZUORRHYSA-N 0 3 311.429 3.316 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@@H]1CCCc2nn(C)cc21 ZINC000358993283 434409218 /nfs/dbraw/zinc/40/92/18/434409218.db2.gz AVDRKSSNYHZLMS-MRXNPFEDSA-N 0 3 308.429 3.387 20 10 DGCDHN CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccs1 ZINC000295992082 434467748 /nfs/dbraw/zinc/46/77/48/434467748.db2.gz NTQKXIJTGTXCKK-KBPBESRZSA-N 0 3 302.443 3.334 20 10 DGCDHN COc1cccc(CN[C@H](c2cccs2)C(C)(C)CO)c1O ZINC000296060696 434493173 /nfs/dbraw/zinc/49/31/73/434493173.db2.gz QLCKVWHPECZTEW-MRXNPFEDSA-N 0 3 321.442 3.312 20 10 DGCDHN COc1cccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1[O-] ZINC000296060696 434493183 /nfs/dbraw/zinc/49/31/83/434493183.db2.gz QLCKVWHPECZTEW-MRXNPFEDSA-N 0 3 321.442 3.312 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1 ZINC000273585110 295167232 /nfs/dbraw/zinc/16/72/32/295167232.db2.gz NNIAIAGTRDNOHR-NXEZZACHSA-N 0 3 307.312 3.019 20 10 DGCDHN CC(C)OC[C@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000372117454 434800841 /nfs/dbraw/zinc/80/08/41/434800841.db2.gz SRDPEZWNJDPUCX-MRXNPFEDSA-N 0 3 315.413 3.171 20 10 DGCDHN COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])OC)c1 ZINC000527920594 435017647 /nfs/dbraw/zinc/01/76/47/435017647.db2.gz NYSBLEYQLMETAZ-SCLBCKFNSA-N 0 3 301.386 3.439 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000272329491 334032863 /nfs/dbraw/zinc/03/28/63/334032863.db2.gz WBOSAAUJRTUZBF-LJQANCHMSA-N 0 3 315.388 3.477 20 10 DGCDHN CCCCCC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000272338355 334033500 /nfs/dbraw/zinc/03/35/00/334033500.db2.gz YDBSNOXZDSBAKG-UHFFFAOYSA-N 0 3 322.424 3.192 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000529671036 340767513 /nfs/dbraw/zinc/76/75/13/340767513.db2.gz XRCALSCRXONTNY-UHFFFAOYSA-N 0 3 307.397 3.196 20 10 DGCDHN COc1ccc(N2CCC(N[C@H](C)c3ccccn3)CC2)cc1 ZINC000152363602 534000843 /nfs/dbraw/zinc/00/08/43/534000843.db2.gz YBIGUTYELCAYBC-OAHLLOKOSA-N 0 3 311.429 3.410 20 10 DGCDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000188289700 521142707 /nfs/dbraw/zinc/14/27/07/521142707.db2.gz SZCXFRNCOYEUQU-GOSISDBHSA-N 0 3 305.418 3.182 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000266341619 522655771 /nfs/dbraw/zinc/65/57/71/522655771.db2.gz YLKVZFIGERBHIO-YOEHRIQHSA-N 0 3 307.340 3.272 20 10 DGCDHN COCCN(Cc1ccccc1)Cc1cccc(OC)c1O ZINC000160448202 523755497 /nfs/dbraw/zinc/75/54/97/523755497.db2.gz ABVXDRFWXHTTPF-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000180217952 524379167 /nfs/dbraw/zinc/37/91/67/524379167.db2.gz RMXIQKBXIQUVQQ-ZDUSSCGKSA-N 0 3 308.422 3.046 20 10 DGCDHN Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000180217952 524379172 /nfs/dbraw/zinc/37/91/72/524379172.db2.gz RMXIQKBXIQUVQQ-ZDUSSCGKSA-N 0 3 308.422 3.046 20 10 DGCDHN Cc1cccc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000180217952 524379177 /nfs/dbraw/zinc/37/91/77/524379177.db2.gz RMXIQKBXIQUVQQ-ZDUSSCGKSA-N 0 3 308.422 3.046 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1C ZINC000157777168 525323001 /nfs/dbraw/zinc/32/30/01/525323001.db2.gz IYCCIGLOFQSXAZ-GOSISDBHSA-N 0 3 303.377 3.145 20 10 DGCDHN C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000186190322 525400770 /nfs/dbraw/zinc/40/07/70/525400770.db2.gz WNSXCOUTFNGOIM-APPDUMDISA-N 0 3 307.340 3.229 20 10 DGCDHN C[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000130885019 525528676 /nfs/dbraw/zinc/52/86/76/525528676.db2.gz VGRSQVZFTLJCOK-CYBMUJFWSA-N 0 3 312.417 3.094 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000238109121 526374281 /nfs/dbraw/zinc/37/42/81/526374281.db2.gz YNMRSSLOKQVXLS-IBGZPJMESA-N 0 3 311.381 3.404 20 10 DGCDHN COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000289181681 536503873 /nfs/dbraw/zinc/50/38/73/536503873.db2.gz AORHUJSYNMAYDZ-CYBMUJFWSA-N 0 3 301.386 3.130 20 10 DGCDHN CCCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)cn1 ZINC000185397888 528689334 /nfs/dbraw/zinc/68/93/34/528689334.db2.gz UATWEBGPJXVBSN-CYBMUJFWSA-N 0 3 316.401 3.435 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc2c(cc1[O-])CCCC2 ZINC000186115400 546193374 /nfs/dbraw/zinc/19/33/74/546193374.db2.gz XLIHAZALWYOMBT-MLGOLLRUSA-N 0 3 311.429 3.202 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccc3F)C1)OCO2 ZINC000730454896 574529676 /nfs/dbraw/zinc/52/96/76/574529676.db2.gz PNUWEAPSODSWFJ-GFCCVEGCSA-N 0 3 315.344 3.250 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccccc3F)C1)OCO2 ZINC000730454896 574529677 /nfs/dbraw/zinc/52/96/77/574529677.db2.gz PNUWEAPSODSWFJ-GFCCVEGCSA-N 0 3 315.344 3.250 20 10 DGCDHN O=C(c1cc([O-])cs1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000731870708 574560606 /nfs/dbraw/zinc/56/06/06/574560606.db2.gz UTFXJQYWJZULAD-UHFFFAOYSA-N 0 3 322.474 3.182 20 10 DGCDHN O=C(c1cc([O-])cs1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000731870708 574560607 /nfs/dbraw/zinc/56/06/07/574560607.db2.gz UTFXJQYWJZULAD-UHFFFAOYSA-N 0 3 322.474 3.182 20 10 DGCDHN O=C(C1=CC(=O)CS1)N1CCCN(CC2CCCCC2)CC1 ZINC000731870708 574560609 /nfs/dbraw/zinc/56/06/09/574560609.db2.gz UTFXJQYWJZULAD-UHFFFAOYSA-N 0 3 322.474 3.182 20 10 DGCDHN CC[NH+](CC)[C@@H](CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731866515 574561120 /nfs/dbraw/zinc/56/11/20/574561120.db2.gz OJAJQMNFXNXUQP-HNNXBMFYSA-N 0 3 318.442 3.267 20 10 DGCDHN CCN(CC)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731866515 574561121 /nfs/dbraw/zinc/56/11/21/574561121.db2.gz OJAJQMNFXNXUQP-HNNXBMFYSA-N 0 3 318.442 3.267 20 10 DGCDHN O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc([O-])cs1 ZINC000732285068 574570772 /nfs/dbraw/zinc/57/07/72/574570772.db2.gz PTJNWEZFFULKHQ-UHFFFAOYSA-N 0 3 316.426 3.344 20 10 DGCDHN Cc1ncc(CN(C)c2ccc(OCCN(C)C)cc2)s1 ZINC000732410472 574574089 /nfs/dbraw/zinc/57/40/89/574574089.db2.gz BFTUICKOXUAZIF-UHFFFAOYSA-N 0 3 305.447 3.028 20 10 DGCDHN C[N@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OCO2 ZINC000733299842 574613728 /nfs/dbraw/zinc/61/37/28/574613728.db2.gz OXKGQNYFLYHLOP-UHFFFAOYSA-N 0 3 319.788 3.449 20 10 DGCDHN C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OCO2 ZINC000733299842 574613730 /nfs/dbraw/zinc/61/37/30/574613730.db2.gz OXKGQNYFLYHLOP-UHFFFAOYSA-N 0 3 319.788 3.449 20 10 DGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCN(C3CCC3)CC2)c1 ZINC000733296689 574613800 /nfs/dbraw/zinc/61/38/00/574613800.db2.gz CMMWIRIJTYEMGY-UHFFFAOYSA-N 0 3 318.461 3.065 20 10 DGCDHN COc1cccc2c1OCC[C@H]2NCc1ccc(N(C)C)cc1 ZINC000733332145 574617054 /nfs/dbraw/zinc/61/70/54/574617054.db2.gz OMIRIORQIUJAKN-QGZVFWFLSA-N 0 3 312.413 3.375 20 10 DGCDHN CCN(C)c1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000741753283 574968832 /nfs/dbraw/zinc/96/88/32/574968832.db2.gz RMYNNWLLGRRWTG-UHFFFAOYSA-N 0 3 301.478 3.203 20 10 DGCDHN CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000742372506 574993712 /nfs/dbraw/zinc/99/37/12/574993712.db2.gz OGPULMPJVGXGAE-LJQANCHMSA-N 0 3 311.429 3.159 20 10 DGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(OCC3CC3)CC1)CCC2 ZINC000743407511 575049847 /nfs/dbraw/zinc/04/98/47/575049847.db2.gz RCPWOFVJATVQEW-UHFFFAOYSA-N 0 3 301.430 3.272 20 10 DGCDHN Cc1ccc(N2CCC[C@@H](N(C)Cc3ccccc3O)C2=O)cc1 ZINC000744403362 575340283 /nfs/dbraw/zinc/34/02/83/575340283.db2.gz YNOXZRCUWNMMIF-GOSISDBHSA-N 0 3 324.424 3.328 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCOC3)C1)CCC2 ZINC000747830246 575545039 /nfs/dbraw/zinc/54/50/39/575545039.db2.gz LQOYOAPASUBCRM-IAGOWNOFSA-N 0 3 301.430 3.129 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCOC3)C1)CCC2 ZINC000747830246 575545040 /nfs/dbraw/zinc/54/50/40/575545040.db2.gz LQOYOAPASUBCRM-IAGOWNOFSA-N 0 3 301.430 3.129 20 10 DGCDHN CC[C@H](C)CN(CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749116377 575628188 /nfs/dbraw/zinc/62/81/88/575628188.db2.gz OMNRLJRXYJPVPI-INIZCTEOSA-N 0 3 319.493 3.079 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000749129643 575628928 /nfs/dbraw/zinc/62/89/28/575628928.db2.gz RZAMYQNJXUJBMZ-BLLLJJGKSA-N 0 3 308.853 3.398 20 10 DGCDHN CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000750827078 575754234 /nfs/dbraw/zinc/75/42/34/575754234.db2.gz VJTVNYCWBRCLNJ-WBMJQRKESA-N 0 3 322.424 3.039 20 10 DGCDHN CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000750827078 575754237 /nfs/dbraw/zinc/75/42/37/575754237.db2.gz VJTVNYCWBRCLNJ-WBMJQRKESA-N 0 3 322.424 3.039 20 10 DGCDHN Cc1cc(O)c(CNCc2ccc([S@@](C)=O)cc2)cc1C ZINC000751151896 575771865 /nfs/dbraw/zinc/77/18/65/575771865.db2.gz HULMTVKGVPQETB-OAQYLSRUSA-N 0 3 303.427 3.036 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1C ZINC000751151896 575771867 /nfs/dbraw/zinc/77/18/67/575771867.db2.gz HULMTVKGVPQETB-OAQYLSRUSA-N 0 3 303.427 3.036 20 10 DGCDHN Cc1cc(C(=O)NCCN(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000751522518 575788479 /nfs/dbraw/zinc/78/84/79/575788479.db2.gz KXQVQMMUNYWTPJ-UHFFFAOYSA-N 0 3 313.445 3.002 20 10 DGCDHN CN1CCCc2cc(CNCc3ccc4[nH]cnc4c3)ccc21 ZINC000727469802 576128174 /nfs/dbraw/zinc/12/81/74/576128174.db2.gz HQPVZMLHBFMAKY-UHFFFAOYSA-N 0 3 306.413 3.235 20 10 DGCDHN CN1CCCc2cc(CNCc3ccc4nc[nH]c4c3)ccc21 ZINC000727469802 576128177 /nfs/dbraw/zinc/12/81/77/576128177.db2.gz HQPVZMLHBFMAKY-UHFFFAOYSA-N 0 3 306.413 3.235 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242056 620681400 /nfs/dbraw/zinc/68/14/00/620681400.db2.gz ZUPRWVGLYZETHW-OCCSQVGLSA-N 0 3 324.415 3.443 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891713349 617877640 /nfs/dbraw/zinc/87/76/40/617877640.db2.gz AHPZRWKZHSIVDY-OTVXOJSOSA-N 0 3 320.433 3.127 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891713349 617877647 /nfs/dbraw/zinc/87/76/47/617877647.db2.gz AHPZRWKZHSIVDY-OTVXOJSOSA-N 0 3 320.433 3.127 20 10 DGCDHN COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2)cc1C ZINC000892476536 618075705 /nfs/dbraw/zinc/07/57/05/618075705.db2.gz VSAQRIYDBNVDMP-UHFFFAOYSA-N 0 3 312.413 3.137 20 10 DGCDHN Cc1nccn1C[C@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840891947 618147837 /nfs/dbraw/zinc/14/78/37/618147837.db2.gz GQUXUQQHQBNSRE-GFCCVEGCSA-N 0 3 307.825 3.285 20 10 DGCDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000155184011 620783501 /nfs/dbraw/zinc/78/35/01/620783501.db2.gz VPUUHAQBDJLPTC-UHFFFAOYSA-N 0 3 314.429 3.402 20 10 DGCDHN C[C@H]([NH2+]CC1(N)CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000854222664 620785834 /nfs/dbraw/zinc/78/58/34/620785834.db2.gz JRMGZJQRBDPZRN-JTQLQIEISA-N 0 3 302.340 3.333 20 10 DGCDHN Cc1cc([C@H](C)N[C@H](C)Cc2ccc(N(C)C)cc2C)nn1C ZINC000840894179 618325489 /nfs/dbraw/zinc/32/54/89/618325489.db2.gz PMRBZZJMHGIMHV-ZBFHGGJFSA-N 0 3 314.477 3.385 20 10 DGCDHN CC[C@@H](NCc1ccc(OC)c(OC)c1O)c1c(C)noc1C ZINC000893239200 618484299 /nfs/dbraw/zinc/48/42/99/618484299.db2.gz QWCAOEKPYHDGDU-CYBMUJFWSA-N 0 3 320.389 3.255 20 10 DGCDHN COc1cc(C)cc(CN[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000895447983 618785775 /nfs/dbraw/zinc/78/57/75/618785775.db2.gz ULAHRCQGDAIWOX-HNNXBMFYSA-N 0 3 321.804 3.186 20 10 DGCDHN O=[N+]([O-])c1cc(CN2CC[C@H](CF)C2)ccc1N1CCCCC1 ZINC000895575323 618800697 /nfs/dbraw/zinc/80/06/97/618800697.db2.gz RNVKDTUWTSQJMI-OAHLLOKOSA-N 0 3 321.396 3.377 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCCO2)c1[O-] ZINC000895807338 618834237 /nfs/dbraw/zinc/83/42/37/618834237.db2.gz QVHJKGQQYOAVAW-CYBMUJFWSA-N 0 3 314.223 3.122 20 10 DGCDHN COC1(OC)CC2(C[N@H+](Cc3c(C)cccc3[O-])[C@@H]2C(C)C)C1 ZINC000895987408 618857900 /nfs/dbraw/zinc/85/79/00/618857900.db2.gz DZJXOKWCRZFNSD-QGZVFWFLSA-N 0 3 319.445 3.310 20 10 DGCDHN COC1(OC)CC2(C[N@@H+](Cc3c(C)cccc3[O-])[C@@H]2C(C)C)C1 ZINC000895987408 618857902 /nfs/dbraw/zinc/85/79/02/618857902.db2.gz DZJXOKWCRZFNSD-QGZVFWFLSA-N 0 3 319.445 3.310 20 10 DGCDHN Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000896269595 618895266 /nfs/dbraw/zinc/89/52/66/618895266.db2.gz ZEKZNTLTSORGPT-UHFFFAOYSA-N 0 3 313.323 3.014 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@H](c3ccn(C)n3)C2)cc1F ZINC000896492029 618918279 /nfs/dbraw/zinc/91/82/79/618918279.db2.gz JRFUIAKTPGDXSP-OAHLLOKOSA-N 0 3 316.424 3.005 20 10 DGCDHN COc1ccc(CN[C@H](c2ccccn2)C2CC2)c(O)c1OC ZINC000896609480 618934826 /nfs/dbraw/zinc/93/48/26/618934826.db2.gz OHDWFUCNRXNJTK-INIZCTEOSA-N 0 3 314.385 3.045 20 10 DGCDHN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3c(C)cccc3[O-])C2)n1 ZINC000897042935 619007595 /nfs/dbraw/zinc/00/75/95/619007595.db2.gz IKCOCKIUEJNVPX-STQMWFEESA-N 0 3 301.390 3.072 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000897234841 619033890 /nfs/dbraw/zinc/03/38/90/619033890.db2.gz RCBLBIWQRLFYEZ-SFHVURJKSA-N 0 3 301.361 3.325 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469566 619131662 /nfs/dbraw/zinc/13/16/62/619131662.db2.gz MPIZOGUXXVNLBI-GFCCVEGCSA-N 0 3 316.357 3.202 20 10 DGCDHN CN(C)c1cc(F)c(CNCC[C@@H]2CCCC[C@@H]2O)cc1F ZINC000897534513 619150728 /nfs/dbraw/zinc/15/07/28/619150728.db2.gz VQSKPSZRAACSEJ-SJCJKPOMSA-N 0 3 312.404 3.062 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CCO)C2CCCC2)c1[O-] ZINC000897885441 619191576 /nfs/dbraw/zinc/19/15/76/619191576.db2.gz KIBAVXSDWWJUTN-AWEZNQCLSA-N 0 3 313.825 3.085 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c([O-])c1 ZINC000898071488 619212719 /nfs/dbraw/zinc/21/27/19/619212719.db2.gz LXUHOVRLAJXBBR-CYBMUJFWSA-N 0 3 318.442 3.312 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c([O-])c1 ZINC000898071488 619212720 /nfs/dbraw/zinc/21/27/20/619212720.db2.gz LXUHOVRLAJXBBR-CYBMUJFWSA-N 0 3 318.442 3.312 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCOC23CCCC3)c1[O-] ZINC000898112456 619215193 /nfs/dbraw/zinc/21/51/93/619215193.db2.gz RQGAZAQMPNQMKK-AWEZNQCLSA-N 0 3 311.809 3.246 20 10 DGCDHN COc1ccc(O)c(CN[C@@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000898179994 619223771 /nfs/dbraw/zinc/22/37/71/619223771.db2.gz QYXQIDRGGABGFT-ZDUSSCGKSA-N 0 3 315.417 3.248 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCc2cccnc2C)c1[O-] ZINC000898253908 619228627 /nfs/dbraw/zinc/22/86/27/619228627.db2.gz YFHSEDSQYIIXKL-UHFFFAOYSA-N 0 3 306.793 3.090 20 10 DGCDHN COC(=O)C1(CCCC[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000898412681 619271971 /nfs/dbraw/zinc/27/19/71/619271971.db2.gz WRDKJDFLKFOZDU-UHFFFAOYSA-N 0 3 309.381 3.135 20 10 DGCDHN C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000903238936 619742278 /nfs/dbraw/zinc/74/22/78/619742278.db2.gz BSPGPFCMNIKTHI-LBPRGKRZSA-N 0 3 306.406 3.100 20 10 DGCDHN CC[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccccc1[O-] ZINC000903308614 619757193 /nfs/dbraw/zinc/75/71/93/619757193.db2.gz JUHOJOPPLFIOBH-FUHWJXTLSA-N 0 3 303.377 3.480 20 10 DGCDHN C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000903378745 619768288 /nfs/dbraw/zinc/76/82/88/619768288.db2.gz YJPYUWWVWUCLMC-MGPQQGTHSA-N 0 3 320.433 3.346 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000903389895 619770996 /nfs/dbraw/zinc/77/09/96/619770996.db2.gz PBFNDRJYBGBFJW-KYOSRNDESA-N 0 3 321.392 3.007 20 10 DGCDHN C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1 ZINC000903447736 619778257 /nfs/dbraw/zinc/77/82/57/619778257.db2.gz BUDQXFCOXAWCEH-CZUORRHYSA-N 0 3 318.490 3.163 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(CCOC4)C3)c2c1 ZINC000151254761 620433384 /nfs/dbraw/zinc/43/33/84/620433384.db2.gz ZJHDPKXXHAXSIT-LJQANCHMSA-N 0 3 313.397 3.166 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(CCOC4)C3)c2c1 ZINC000151254761 620433388 /nfs/dbraw/zinc/43/33/88/620433388.db2.gz ZJHDPKXXHAXSIT-LJQANCHMSA-N 0 3 313.397 3.166 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(CCOC4)C3)c2c1 ZINC000151254688 620433609 /nfs/dbraw/zinc/43/36/09/620433609.db2.gz ZJHDPKXXHAXSIT-IBGZPJMESA-N 0 3 313.397 3.166 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(CCOC4)C3)c2c1 ZINC000151254688 620433610 /nfs/dbraw/zinc/43/36/10/620433610.db2.gz ZJHDPKXXHAXSIT-IBGZPJMESA-N 0 3 313.397 3.166 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCN(c3ccccc3O)CC2)c1 ZINC000153367213 620554959 /nfs/dbraw/zinc/55/49/59/620554959.db2.gz XSCLJJLBJDOIEQ-UHFFFAOYSA-N 0 3 312.413 3.037 20 10 DGCDHN CN(C)C[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921506168 620877316 /nfs/dbraw/zinc/87/73/16/620877316.db2.gz NSFIHLJZNWMFJS-IBGZPJMESA-N 0 3 310.441 3.404 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000788074866 620893456 /nfs/dbraw/zinc/89/34/56/620893456.db2.gz FLUOGBFKLGFHQW-MRXNPFEDSA-N 0 3 317.433 3.054 20 10 DGCDHN CCCC[C@@H](CN)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000817963203 620894750 /nfs/dbraw/zinc/89/47/50/620894750.db2.gz SFQIRPQCWJIUTB-PWSUYJOCSA-N 0 3 315.255 3.323 20 10 DGCDHN CC[C@@H]([NH3+])CN[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817979325 620898023 /nfs/dbraw/zinc/89/80/23/620898023.db2.gz JMRUBEBPHQOYOJ-IONNQARKSA-N 0 3 321.646 3.196 20 10 DGCDHN CC(C)Oc1ccc(CNCc2ccc3c(c2)CCCO3)cn1 ZINC000921538359 620904405 /nfs/dbraw/zinc/90/44/05/620904405.db2.gz BHVYLDYVKOJXOV-UHFFFAOYSA-N 0 3 312.413 3.484 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000113359213 620905543 /nfs/dbraw/zinc/90/55/43/620905543.db2.gz VYBUTCZISHTOBI-HNNXBMFYSA-N 0 3 320.820 3.393 20 10 DGCDHN C[S@@](=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921823030 620956415 /nfs/dbraw/zinc/95/64/15/620956415.db2.gz NTMKBQOFFBMIMG-JOCHJYFZSA-N 0 3 315.438 3.039 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cnn(CC3CCC3)c2)c1 ZINC000922217717 621007453 /nfs/dbraw/zinc/00/74/53/621007453.db2.gz WHGQHIZLDPSUOX-CYBMUJFWSA-N 0 3 315.417 3.248 20 10 DGCDHN COc1ccc(N2CCN(CCCCOC(C)(C)C)CC2)cc1 ZINC000789307361 625453935 /nfs/dbraw/zinc/45/39/35/625453935.db2.gz XRRHXHTVIAODMF-UHFFFAOYSA-N 0 3 320.477 3.413 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c([O-])c1 ZINC000922896297 621127317 /nfs/dbraw/zinc/12/73/17/621127317.db2.gz IKXBSZWHKWRAPY-CRAIPNDOSA-N 0 3 305.418 3.086 20 10 DGCDHN Cc1noc(C)c1C[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858140797 621157434 /nfs/dbraw/zinc/15/74/34/621157434.db2.gz GRPZOJCUQYFQMJ-JTQLQIEISA-N 0 3 323.387 3.356 20 10 DGCDHN CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](CC)c2ccc(C)cc2[O-])C1 ZINC000858508732 621200189 /nfs/dbraw/zinc/20/01/89/621200189.db2.gz OPDLDEJURATYJE-ZBFHGGJFSA-N 0 3 303.402 3.393 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c([O-])c1 ZINC000753576266 621450632 /nfs/dbraw/zinc/45/06/32/621450632.db2.gz QJVIRUYHKBATGX-MRXNPFEDSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@H](C)C3)c2c1 ZINC000753987858 621476537 /nfs/dbraw/zinc/47/65/37/621476537.db2.gz YESQSVUPSQRDMW-CYBMUJFWSA-N 0 3 301.386 3.022 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@H](C)C3)c2c1 ZINC000753987858 621476539 /nfs/dbraw/zinc/47/65/39/621476539.db2.gz YESQSVUPSQRDMW-CYBMUJFWSA-N 0 3 301.386 3.022 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CC[C@@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000754070163 621484978 /nfs/dbraw/zinc/48/49/78/621484978.db2.gz WVQKHSUGRJFTFD-ROUUACIJSA-N 0 3 319.445 3.332 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CC[C@@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000754070163 621484980 /nfs/dbraw/zinc/48/49/80/621484980.db2.gz WVQKHSUGRJFTFD-ROUUACIJSA-N 0 3 319.445 3.332 20 10 DGCDHN CN(C)c1cc(F)c(CN2CC[C@@H](C3CCOCC3)C2)cc1F ZINC000862250521 621567171 /nfs/dbraw/zinc/56/71/71/621567171.db2.gz PZLUTWJBUHSGLF-CQSZACIVSA-N 0 3 324.415 3.279 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000862253100 621568400 /nfs/dbraw/zinc/56/84/00/621568400.db2.gz IQZWHLUSIDGSKW-KGLIPLIRSA-N 0 3 324.415 3.279 20 10 DGCDHN CO[C@]1(C)CCCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862351971 621576675 /nfs/dbraw/zinc/57/66/75/621576675.db2.gz XJSIEBZFUUVNLU-QGZVFWFLSA-N 0 3 312.404 3.422 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F ZINC000862384247 621582375 /nfs/dbraw/zinc/58/23/75/621582375.db2.gz SLNUBBDOWQUKMZ-FDQGKXFDSA-N 0 3 324.415 3.156 20 10 DGCDHN C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756361243 621630926 /nfs/dbraw/zinc/63/09/26/621630926.db2.gz JQKHYCNQKJPNKE-CYBMUJFWSA-N 0 3 312.404 3.443 20 10 DGCDHN COc1ccccc1OCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756374200 621632725 /nfs/dbraw/zinc/63/27/25/621632725.db2.gz YWAAHVPSUXUJJW-GFCCVEGCSA-N 0 3 305.349 3.270 20 10 DGCDHN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CN1CCCCC1 ZINC000756434029 621638396 /nfs/dbraw/zinc/63/83/96/621638396.db2.gz HTJUVRBXVIIDHA-KGLIPLIRSA-N 0 3 321.421 3.073 20 10 DGCDHN C[C@H](Cc1cnccn1)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756495866 621642093 /nfs/dbraw/zinc/64/20/93/621642093.db2.gz SQQSVZFFSGZCMC-WDMOLILDSA-N 0 3 301.365 3.090 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCCOC2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756734789 621661668 /nfs/dbraw/zinc/66/16/68/621661668.db2.gz ZNWOCXMHIKFWDK-WFASDCNBSA-N 0 3 323.408 3.255 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)n2)c2c1c(F)ccc2[O-] ZINC000756770273 621663500 /nfs/dbraw/zinc/66/35/00/621663500.db2.gz VTVSXOOMLYOEDW-BXUZGUMPSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@@H]1C[C@@H](NCc2cccc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756770273 621663502 /nfs/dbraw/zinc/66/35/02/621663502.db2.gz VTVSXOOMLYOEDW-BXUZGUMPSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CCOC3)C2)c2c1c(F)ccc2[O-] ZINC000756783442 621664323 /nfs/dbraw/zinc/66/43/23/621664323.db2.gz YWNAAJKEUBBBMM-BKTMZONDSA-N 0 3 321.392 3.007 20 10 DGCDHN [NH3+]C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000863646292 621693257 /nfs/dbraw/zinc/69/32/57/621693257.db2.gz ISGYFGSFMYOJON-KOLCDFICSA-N 0 3 322.758 3.005 20 10 DGCDHN COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000757653541 621731157 /nfs/dbraw/zinc/73/11/57/621731157.db2.gz JIHYGISANNIZBA-TZMCWYRMSA-N 0 3 307.365 3.423 20 10 DGCDHN Cc1noc(C[C@@H]([NH2+]Cc2ccccc2[O-])c2ccccc2)n1 ZINC000758617281 621792455 /nfs/dbraw/zinc/79/24/55/621792455.db2.gz KBNZCMZZGZOXFM-MRXNPFEDSA-N 0 3 309.369 3.157 20 10 DGCDHN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000760040451 621912332 /nfs/dbraw/zinc/91/23/32/621912332.db2.gz KHYRGGQCVNAZLB-BOFPYLFWSA-N 0 3 315.388 3.348 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c([O-])c1 ZINC000865736118 621986025 /nfs/dbraw/zinc/98/60/25/621986025.db2.gz GGNFRQUWFZELHJ-MSOLQXFVSA-N 0 3 305.418 3.228 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c1[O-] ZINC000761206547 621994105 /nfs/dbraw/zinc/99/41/05/621994105.db2.gz KWCNJZHLKWFZFC-BBRMVZONSA-N 0 3 313.825 3.347 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C1CCOCC1 ZINC000761215459 621994911 /nfs/dbraw/zinc/99/49/11/621994911.db2.gz LURVZCXHCKLLJJ-AWEZNQCLSA-N 0 3 313.825 3.349 20 10 DGCDHN C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1O ZINC000866160907 622056618 /nfs/dbraw/zinc/05/66/18/622056618.db2.gz HJFRGCJUJMKUFR-CYBMUJFWSA-N 0 3 313.401 3.337 20 10 DGCDHN Oc1cccc2c1[C@@H](NCc1ccc(Br)cn1)CC2 ZINC000866568937 622140421 /nfs/dbraw/zinc/14/04/21/622140421.db2.gz ICGGGUDSWREGEK-ZDUSSCGKSA-N 0 3 319.202 3.327 20 10 DGCDHN Cc1cc(O)c(CN2CCN(c3cccs3)CC2)cc1C ZINC000121620500 622166992 /nfs/dbraw/zinc/16/69/92/622166992.db2.gz GBOXRIHYMTYZQU-UHFFFAOYSA-N 0 3 302.443 3.393 20 10 DGCDHN C[C@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[S@](C)=O ZINC000765287117 622256919 /nfs/dbraw/zinc/25/69/19/622256919.db2.gz SARODSSTLINOAC-PEBXRYMYSA-N 0 3 317.454 3.306 20 10 DGCDHN C[C@@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[S@](C)=O ZINC000765287107 622257020 /nfs/dbraw/zinc/25/70/20/622257020.db2.gz SARODSSTLINOAC-FPTDNZKUSA-N 0 3 317.454 3.306 20 10 DGCDHN Cc1occc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765396850 622263025 /nfs/dbraw/zinc/26/30/25/622263025.db2.gz NIDIEZBXSQHCKH-CQSZACIVSA-N 0 3 300.402 3.275 20 10 DGCDHN CC[C@H](NCc1ccc(N(CC)CC)cc1)[C@H](O)C(F)(F)F ZINC000765786725 622287351 /nfs/dbraw/zinc/28/73/51/622287351.db2.gz IDPKFSURMDOLFS-GJZGRUSLSA-N 0 3 318.383 3.324 20 10 DGCDHN CCCCCn1cc(CNCc2c(O)cccc2OC)c(C)n1 ZINC000767428038 622398275 /nfs/dbraw/zinc/39/82/75/622398275.db2.gz YFLRLHHTKPZLLU-UHFFFAOYSA-N 0 3 317.433 3.386 20 10 DGCDHN C[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438007 622455715 /nfs/dbraw/zinc/45/57/15/622455715.db2.gz NMBBABUKDJJQEV-MRXNPFEDSA-N 0 3 319.788 3.103 20 10 DGCDHN C[N@@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438007 622455716 /nfs/dbraw/zinc/45/57/16/622455716.db2.gz NMBBABUKDJJQEV-MRXNPFEDSA-N 0 3 319.788 3.103 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC3(CCCCC3)C1)[C@@H](O)CO2 ZINC000768447960 622456646 /nfs/dbraw/zinc/45/66/46/622456646.db2.gz SBORZIPCLNJOFO-KRWDZBQOSA-N 0 3 317.429 3.364 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC3(CCCCC3)C1)[C@@H](O)CO2 ZINC000768447960 622456650 /nfs/dbraw/zinc/45/66/50/622456650.db2.gz SBORZIPCLNJOFO-KRWDZBQOSA-N 0 3 317.429 3.364 20 10 DGCDHN CC(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768449269 622456678 /nfs/dbraw/zinc/45/66/78/622456678.db2.gz ZABGVBPIQVSICB-CXAGYDPISA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768449269 622456682 /nfs/dbraw/zinc/45/66/82/622456682.db2.gz ZABGVBPIQVSICB-CXAGYDPISA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768463349 622458282 /nfs/dbraw/zinc/45/82/82/622458282.db2.gz HJJUMHVQEPPADC-DYVFJYSZSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768463349 622458284 /nfs/dbraw/zinc/45/82/84/622458284.db2.gz HJJUMHVQEPPADC-DYVFJYSZSA-N 0 3 305.418 3.076 20 10 DGCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000769200758 622507249 /nfs/dbraw/zinc/50/72/49/622507249.db2.gz CNPDLXIUSWZLHS-GOSISDBHSA-N 0 3 324.424 3.160 20 10 DGCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000769200758 622507251 /nfs/dbraw/zinc/50/72/51/622507251.db2.gz CNPDLXIUSWZLHS-GOSISDBHSA-N 0 3 324.424 3.160 20 10 DGCDHN CN(Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCCCNC1=O ZINC000769200758 622507252 /nfs/dbraw/zinc/50/72/52/622507252.db2.gz CNPDLXIUSWZLHS-GOSISDBHSA-N 0 3 324.424 3.160 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000769290815 622514249 /nfs/dbraw/zinc/51/42/49/622514249.db2.gz JRSMPSZQIMYAMA-GASCZTMLSA-N 0 3 304.434 3.004 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000769504216 622535138 /nfs/dbraw/zinc/53/51/38/622535138.db2.gz QCSXFGGWJJUGSV-MRXNPFEDSA-N 0 3 312.413 3.477 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000769504216 622535139 /nfs/dbraw/zinc/53/51/39/622535139.db2.gz QCSXFGGWJJUGSV-MRXNPFEDSA-N 0 3 312.413 3.477 20 10 DGCDHN C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769513593 622536786 /nfs/dbraw/zinc/53/67/86/622536786.db2.gz CHKFYKNUQXBQAW-AWEZNQCLSA-N 0 3 308.853 3.209 20 10 DGCDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769513593 622536788 /nfs/dbraw/zinc/53/67/88/622536788.db2.gz CHKFYKNUQXBQAW-AWEZNQCLSA-N 0 3 308.853 3.209 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C3CCC3)CC1)[C@@H](O)CO2 ZINC000872701366 622955970 /nfs/dbraw/zinc/95/59/70/622955970.db2.gz WBJHNASPRZKZRX-KSSFIOAISA-N 0 3 317.429 3.220 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C3CCC3)CC1)[C@@H](O)CO2 ZINC000872701366 622955972 /nfs/dbraw/zinc/95/59/72/622955972.db2.gz WBJHNASPRZKZRX-KSSFIOAISA-N 0 3 317.429 3.220 20 10 DGCDHN CCCOc1ccc(CNCc2ccnc(OC)c2)cc1C ZINC000873010938 623016725 /nfs/dbraw/zinc/01/67/25/623016725.db2.gz QNIHRNIQJBVYLF-UHFFFAOYSA-N 0 3 300.402 3.477 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000773402829 623022649 /nfs/dbraw/zinc/02/26/49/623022649.db2.gz UDIPOUPVONBSPW-XEKQOVJPSA-N 0 3 313.397 3.444 20 10 DGCDHN CCCOc1ccc(CNCC[S@](=O)C(C)(C)C)cc1C ZINC000873053332 623026515 /nfs/dbraw/zinc/02/65/15/623026515.db2.gz ISFBMWNBNRJRLD-NRFANRHFSA-N 0 3 311.491 3.421 20 10 DGCDHN COc1ccc(CN[C@H](C)c2ccc[nH]2)cc1Cn1cccn1 ZINC000873097835 623035583 /nfs/dbraw/zinc/03/55/83/623035583.db2.gz WXDDZOUJJPWNRD-CQSZACIVSA-N 0 3 310.401 3.119 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1Cn1cccn1 ZINC000873097834 623035886 /nfs/dbraw/zinc/03/58/86/623035886.db2.gz WXDDZOUJJPWNRD-AWEZNQCLSA-N 0 3 310.401 3.119 20 10 DGCDHN CCN(C)c1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000773757965 623068361 /nfs/dbraw/zinc/06/83/61/623068361.db2.gz SPOUCSZEJCBGNZ-GJZGRUSLSA-N 0 3 316.367 3.030 20 10 DGCDHN CCN(C)c1ccc(CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000773773737 623071794 /nfs/dbraw/zinc/07/17/94/623071794.db2.gz AICOAJDUAHGZKL-HXUWFJFHSA-N 0 3 310.441 3.234 20 10 DGCDHN CCCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774483314 623151507 /nfs/dbraw/zinc/15/15/07/623151507.db2.gz JQNTXZDHFDTHIE-GJZGRUSLSA-N 0 3 305.466 3.098 20 10 DGCDHN Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000775128390 623233952 /nfs/dbraw/zinc/23/39/52/623233952.db2.gz AQLKTRORXNZVNL-HZPDHXFCSA-N 0 3 315.413 3.100 20 10 DGCDHN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000775128389 623234012 /nfs/dbraw/zinc/23/40/12/623234012.db2.gz AQLKTRORXNZVNL-HOTGVXAUSA-N 0 3 315.413 3.100 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c([O-])c1 ZINC000775371635 623261401 /nfs/dbraw/zinc/26/14/01/623261401.db2.gz OPBCTTPEDSRACZ-AEFFLSMTSA-N 0 3 307.434 3.474 20 10 DGCDHN CCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000775656592 623306655 /nfs/dbraw/zinc/30/66/55/623306655.db2.gz WWINGYVTSXGQFM-UHFFFAOYSA-N 0 3 324.852 3.235 20 10 DGCDHN CCCC(=O)NC1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775656592 623306660 /nfs/dbraw/zinc/30/66/60/623306660.db2.gz WWINGYVTSXGQFM-UHFFFAOYSA-N 0 3 324.852 3.235 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+](C[C@@H](C)O)C(C)C)c1[O-] ZINC000775680473 623312464 /nfs/dbraw/zinc/31/24/64/623312464.db2.gz FYNMMMKPLFAPDN-LLVKDONJSA-N 0 3 316.239 3.054 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+](C[C@@H](C)O)C(C)C)c1[O-] ZINC000775680473 623312470 /nfs/dbraw/zinc/31/24/70/623312470.db2.gz FYNMMMKPLFAPDN-LLVKDONJSA-N 0 3 316.239 3.054 20 10 DGCDHN CCN(Cc1cccc(C)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000775695586 623314979 /nfs/dbraw/zinc/31/49/79/623314979.db2.gz NWESAYPVRVQBMK-SFHVURJKSA-N 0 3 324.424 3.328 20 10 DGCDHN CC(C)CN(C(=O)CN[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000775834516 623339336 /nfs/dbraw/zinc/33/93/36/623339336.db2.gz UMWFIEIZNLLJSF-OAHLLOKOSA-N 0 3 317.477 3.050 20 10 DGCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C12CCCC2 ZINC000776224268 623399130 /nfs/dbraw/zinc/39/91/30/623399130.db2.gz RQRHYIKPLUYCCL-SJORKVTESA-N 0 3 305.418 3.228 20 10 DGCDHN CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C12CCCC2 ZINC000776224265 623399503 /nfs/dbraw/zinc/39/95/03/623399503.db2.gz RQRHYIKPLUYCCL-IRXDYDNUSA-N 0 3 305.418 3.228 20 10 DGCDHN COc1ccc(C[N@H+](C)Cc2cc(F)ccc2[O-])cc1OC ZINC000778992956 623717088 /nfs/dbraw/zinc/71/70/88/623717088.db2.gz MNVZSOCERPPANT-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[O-])cc1OC ZINC000778992956 623717093 /nfs/dbraw/zinc/71/70/93/623717093.db2.gz MNVZSOCERPPANT-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(O)CCC2)c1[O-] ZINC000779024488 623721787 /nfs/dbraw/zinc/72/17/87/623721787.db2.gz NTQGDFDZJNXJGC-JTQLQIEISA-N 0 3 314.223 3.029 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c([O-])c1 ZINC000876939762 623750577 /nfs/dbraw/zinc/75/05/77/623750577.db2.gz KOPRUPGTIZOQKS-ZDUSSCGKSA-N 0 3 310.397 3.436 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1F ZINC000779432109 623769450 /nfs/dbraw/zinc/76/94/50/623769450.db2.gz KOWPMHVDHRIWMS-RHSMWYFYSA-N 0 3 308.441 3.121 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000877128380 623798573 /nfs/dbraw/zinc/79/85/73/623798573.db2.gz GOHRIUMDNUDBGV-ACJLOTCBSA-N 0 3 303.377 3.442 20 10 DGCDHN Cc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c([O-])c1 ZINC000877398395 623868100 /nfs/dbraw/zinc/86/81/00/623868100.db2.gz GPOSMHUOMYXHPL-UHFFFAOYSA-N 0 3 312.413 3.016 20 10 DGCDHN COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)c([O-])c1 ZINC000877493832 623910523 /nfs/dbraw/zinc/91/05/23/623910523.db2.gz PDDBSXZVMRTFKC-SCLBCKFNSA-N 0 3 301.386 3.267 20 10 DGCDHN Cc1ccc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c([O-])c1 ZINC000877518145 623920926 /nfs/dbraw/zinc/92/09/26/623920926.db2.gz SQQAJALFPSOWRD-UHFFFAOYSA-N 0 3 323.396 3.425 20 10 DGCDHN Cc1ccc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c([O-])c1 ZINC000877518145 623920930 /nfs/dbraw/zinc/92/09/30/623920930.db2.gz SQQAJALFPSOWRD-UHFFFAOYSA-N 0 3 323.396 3.425 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000877533442 623929043 /nfs/dbraw/zinc/92/90/43/623929043.db2.gz QVMJFALXEZQXFZ-HNNXBMFYSA-N 0 3 305.805 3.220 20 10 DGCDHN COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C)cc3[O-])C2)cc1 ZINC000877620062 623964993 /nfs/dbraw/zinc/96/49/93/623964993.db2.gz CVOYLKVBWPFMOY-INIZCTEOSA-N 0 3 312.413 3.078 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1[O-] ZINC000877681436 623988864 /nfs/dbraw/zinc/98/88/64/623988864.db2.gz GSUCWMMJAZIOPK-GBIKHYSHSA-N 0 3 314.223 3.119 20 10 DGCDHN CCOP(=O)(CCC[N@@H+]1Cc2cccc([O-])c2C1)OCC ZINC000877703074 623998486 /nfs/dbraw/zinc/99/84/86/623998486.db2.gz QAUBSKLBCGTNGN-UHFFFAOYSA-N 0 3 313.334 3.364 20 10 DGCDHN CCOP(=O)(CCC[N@H+]1Cc2cccc([O-])c2C1)OCC ZINC000877703074 623998491 /nfs/dbraw/zinc/99/84/91/623998491.db2.gz QAUBSKLBCGTNGN-UHFFFAOYSA-N 0 3 313.334 3.364 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735766 624008662 /nfs/dbraw/zinc/00/86/62/624008662.db2.gz GFYDGBSBIPTEDN-UHFFFAOYSA-N 0 3 313.401 3.422 20 10 DGCDHN CCc1cccc(CNCc2ccc(Br)cn2)c1O ZINC000877734088 624008828 /nfs/dbraw/zinc/00/88/28/624008828.db2.gz IGKABTYCYUYFTG-UHFFFAOYSA-N 0 3 321.218 3.402 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1[O-] ZINC000877756591 624023149 /nfs/dbraw/zinc/02/31/49/624023149.db2.gz WLASQORNFZNLHH-GFCCVEGCSA-N 0 3 316.367 3.460 20 10 DGCDHN Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758414 624024047 /nfs/dbraw/zinc/02/40/47/624024047.db2.gz ZEFOTDIBLQVMCC-ZDUSSCGKSA-N 0 3 322.412 3.441 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000877811753 624043303 /nfs/dbraw/zinc/04/33/03/624043303.db2.gz VZEHJPFADSNVEN-OAHLLOKOSA-N 0 3 305.805 3.047 20 10 DGCDHN CCc1cccc(CN2CCO[C@H](C(F)(F)F)CC2)c1O ZINC000877821161 624051918 /nfs/dbraw/zinc/05/19/18/624051918.db2.gz LFEQKDKXLYDYQF-ZDUSSCGKSA-N 0 3 303.324 3.108 20 10 DGCDHN C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccccc1[O-] ZINC000783519093 624361303 /nfs/dbraw/zinc/36/13/03/624361303.db2.gz SYDDUEMEQLPOGA-CQSZACIVSA-N 0 3 316.445 3.224 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCc1ccc(F)c(F)c1F ZINC000784629065 624561715 /nfs/dbraw/zinc/56/17/15/624561715.db2.gz LWRUFLWTPLAMGB-UHFFFAOYSA-N 0 3 311.303 3.150 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1[O-] ZINC000879648028 624621162 /nfs/dbraw/zinc/62/11/62/624621162.db2.gz WFZCLIXRWVWLAS-UONOGXRCSA-N 0 3 310.397 3.021 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1[O-] ZINC000879649104 624622715 /nfs/dbraw/zinc/62/27/15/624622715.db2.gz IFGVGXHQCLTLMR-HUUCEWRRSA-N 0 3 318.461 3.328 20 10 DGCDHN C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccccc1[O-] ZINC000879650452 624624045 /nfs/dbraw/zinc/62/40/45/624624045.db2.gz AMGVNSHJOWKALF-VIFPVBQESA-N 0 3 313.266 3.257 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N(C)Cc1ccccc1 ZINC000879652003 624624128 /nfs/dbraw/zinc/62/41/28/624624128.db2.gz SUBRVEJGMGVFDN-GJZGRUSLSA-N 0 3 312.413 3.090 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccccc1[O-] ZINC000879651963 624624147 /nfs/dbraw/zinc/62/41/47/624624147.db2.gz RCRHSFVUAYXCAR-QWHCGFSZSA-N 0 3 321.804 3.136 20 10 DGCDHN COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[O-])c(C)s1 ZINC000879651277 624624351 /nfs/dbraw/zinc/62/43/51/624624351.db2.gz PVLYZOFKWRYRHH-JTQLQIEISA-N 0 3 305.399 3.400 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cccnc1Cl ZINC000879651113 624624672 /nfs/dbraw/zinc/62/46/72/624624672.db2.gz IVAAZCJIEBKTRI-QWRGUYRKSA-N 0 3 319.792 3.118 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC1CCC(C)CC1 ZINC000879652012 624624707 /nfs/dbraw/zinc/62/47/07/624624707.db2.gz TXJZJNACSMVBOR-RAFNIBEQSA-N 0 3 304.434 3.126 20 10 DGCDHN Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652448 624626037 /nfs/dbraw/zinc/62/60/37/624626037.db2.gz DLBAELGFDIWWKH-HNNXBMFYSA-N 0 3 312.413 3.010 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1ccccc1[O-] ZINC000879653757 624626849 /nfs/dbraw/zinc/62/68/49/624626849.db2.gz WFZCLIXRWVWLAS-KGLIPLIRSA-N 0 3 310.397 3.021 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1[O-] ZINC000785990245 624775268 /nfs/dbraw/zinc/77/52/68/624775268.db2.gz ZXSUXVHEJCUVAE-WDMOLILDSA-N 0 3 313.825 3.036 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1[O-] ZINC000785990245 624775272 /nfs/dbraw/zinc/77/52/72/624775272.db2.gz ZXSUXVHEJCUVAE-WDMOLILDSA-N 0 3 313.825 3.036 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787330870 625001656 /nfs/dbraw/zinc/00/16/56/625001656.db2.gz FKUYJLNTRRHOFW-OAHLLOKOSA-N 0 3 313.731 3.147 20 10 DGCDHN C[C@@H](CNCc1c([O-])ccc(Cl)c1F)C[NH+]1CCCCC1 ZINC000790947912 625721229 /nfs/dbraw/zinc/72/12/29/625721229.db2.gz CQIDJRUTHBELAK-LBPRGKRZSA-N 0 3 314.832 3.396 20 10 DGCDHN Cc1ccc2c(c1)CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000792181842 625921274 /nfs/dbraw/zinc/92/12/74/625921274.db2.gz VBTKPPPTPRPMFH-UHFFFAOYSA-N 0 3 322.452 3.390 20 10 DGCDHN CCOc1ccc(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000792192992 625922718 /nfs/dbraw/zinc/92/27/18/625922718.db2.gz PGBPNIHGGHHJQR-HOCLYGCPSA-N 0 3 307.434 3.428 20 10 DGCDHN CCOc1ccc(C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000792192992 625922721 /nfs/dbraw/zinc/92/27/21/625922721.db2.gz PGBPNIHGGHHJQR-HOCLYGCPSA-N 0 3 307.434 3.428 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000131165724 625958614 /nfs/dbraw/zinc/95/86/14/625958614.db2.gz OCLUALDBOSNEFW-AWEZNQCLSA-N 0 3 308.853 3.353 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(CC)cc2)c([O-])c1 ZINC000796452473 626051439 /nfs/dbraw/zinc/05/14/39/626051439.db2.gz VEAHGMKZSMRQKB-LJQANCHMSA-N 0 3 315.413 3.177 20 10 DGCDHN Cc1nn(C(C)C)cc1CNCc1ccc(N(C)C)cc1C ZINC000798493029 626220723 /nfs/dbraw/zinc/22/07/23/626220723.db2.gz JQDFBFWTWGTPLT-UHFFFAOYSA-N 0 3 300.450 3.437 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1[O-] ZINC000798963654 626263769 /nfs/dbraw/zinc/26/37/69/626263769.db2.gz IIXDGEZXWCZTNT-LBPRGKRZSA-N 0 3 318.804 3.439 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1[O-] ZINC000798963654 626263771 /nfs/dbraw/zinc/26/37/71/626263771.db2.gz IIXDGEZXWCZTNT-LBPRGKRZSA-N 0 3 318.804 3.439 20 10 DGCDHN CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699078 626372062 /nfs/dbraw/zinc/37/20/62/626372062.db2.gz RUPPEZVXRMFNNO-ZYHUDNBSSA-N 0 3 303.855 3.119 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2C=CCC2)c1[O-] ZINC000883238614 626619478 /nfs/dbraw/zinc/61/94/78/626619478.db2.gz IATWAPCZEFEGSW-SNVBAGLBSA-N 0 3 312.207 3.219 20 10 DGCDHN C=C/C=C\CC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000883261315 626627295 /nfs/dbraw/zinc/62/72/95/626627295.db2.gz YGGJXTPXRCAYIM-PLNGDYQASA-N 0 3 312.207 3.385 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1[O-] ZINC000808679317 626848732 /nfs/dbraw/zinc/84/87/32/626848732.db2.gz KSFNYWHHWBNIRS-VXGBXAGGSA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1[O-] ZINC000808683406 626849297 /nfs/dbraw/zinc/84/92/97/626849297.db2.gz FPUCSVFKHVHZOW-NWDGAFQWSA-N 0 3 305.809 3.426 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1[O-] ZINC000808683408 626849559 /nfs/dbraw/zinc/84/95/59/626849559.db2.gz FPUCSVFKHVHZOW-RYUDHWBXSA-N 0 3 305.809 3.426 20 10 DGCDHN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808697805 626850625 /nfs/dbraw/zinc/85/06/25/626850625.db2.gz WATORWZNKLSGCU-GBIKHYSHSA-N 0 3 303.855 3.117 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1[O-] ZINC000808717175 626853131 /nfs/dbraw/zinc/85/31/31/626853131.db2.gz ATYFXBJVALOUQN-GXTWGEPZSA-N 0 3 320.820 3.176 20 10 DGCDHN CC(C)(C)[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000808735835 626856317 /nfs/dbraw/zinc/85/63/17/626856317.db2.gz CDXKOIYNOOCWPW-KRWDZBQOSA-N 0 3 303.402 3.394 20 10 DGCDHN CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000808735835 626856320 /nfs/dbraw/zinc/85/63/20/626856320.db2.gz CDXKOIYNOOCWPW-KRWDZBQOSA-N 0 3 303.402 3.394 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2(C(F)(F)F)CC2)c1[O-] ZINC000809706417 626939228 /nfs/dbraw/zinc/93/92/28/626939228.db2.gz XYDVBCZKESUHEY-UHFFFAOYSA-N 0 3 309.715 3.486 20 10 DGCDHN CC(C)C[N@H+](CCN(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000809729948 626941467 /nfs/dbraw/zinc/94/14/67/626941467.db2.gz UDKXRAPAUWBVCF-UHFFFAOYSA-N 0 3 302.821 3.204 20 10 DGCDHN CC(C)C[N@@H+](CCN(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000809729948 626941468 /nfs/dbraw/zinc/94/14/68/626941468.db2.gz UDKXRAPAUWBVCF-UHFFFAOYSA-N 0 3 302.821 3.204 20 10 DGCDHN CC(C)CN(CC[NH+](C)C)Cc1c([O-])ccc(Cl)c1F ZINC000809729948 626941470 /nfs/dbraw/zinc/94/14/70/626941470.db2.gz UDKXRAPAUWBVCF-UHFFFAOYSA-N 0 3 302.821 3.204 20 10 DGCDHN C[NH+](C)CCN(Cc1ccccn1)Cc1c([O-])cccc1Cl ZINC000809741961 626944960 /nfs/dbraw/zinc/94/49/60/626944960.db2.gz DAEVSONPOBHYGB-UHFFFAOYSA-N 0 3 319.836 3.004 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758537 626947931 /nfs/dbraw/zinc/94/79/31/626947931.db2.gz PJIYNRGKYJAHJC-HUUCEWRRSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758537 626947933 /nfs/dbraw/zinc/94/79/33/626947933.db2.gz PJIYNRGKYJAHJC-HUUCEWRRSA-N 0 3 305.418 3.039 20 10 DGCDHN CCCN(CCC)c1ccc(CN2CCNC(=O)C[C@@H]2C)cc1 ZINC000809765256 626949234 /nfs/dbraw/zinc/94/92/34/626949234.db2.gz NFCBPMJKIMVQMM-INIZCTEOSA-N 0 3 317.477 3.023 20 10 DGCDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767725 626950409 /nfs/dbraw/zinc/95/04/09/626950409.db2.gz SBDLNVKUHMTCTE-XHDPSFHLSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767725 626950412 /nfs/dbraw/zinc/95/04/12/626950412.db2.gz SBDLNVKUHMTCTE-XHDPSFHLSA-N 0 3 312.816 3.101 20 10 DGCDHN CN(C)c1ccc(OCCN(C)Cc2ccc(F)cc2)cc1 ZINC000810002496 626967555 /nfs/dbraw/zinc/96/75/55/626967555.db2.gz YVUDTLMNTIGZRM-UHFFFAOYSA-N 0 3 302.393 3.403 20 10 DGCDHN COCC[C@H](COC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000810257735 626993833 /nfs/dbraw/zinc/99/38/33/626993833.db2.gz UYDTWHWVKAAAID-DGCLKSJQSA-N 0 3 301.814 3.056 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2F)c([O-])c1 ZINC000886674670 627186878 /nfs/dbraw/zinc/18/68/78/627186878.db2.gz PCOWLWVUEZAESV-ZFWWWQNUSA-N 0 3 303.377 3.094 20 10 DGCDHN COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H]1CCCOC1 ZINC000886788741 627204545 /nfs/dbraw/zinc/20/45/45/627204545.db2.gz HZJJHGJHRATDOQ-OSRDXIQISA-N 0 3 323.408 3.111 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC000811518812 627287441 /nfs/dbraw/zinc/28/74/41/627287441.db2.gz PEXSFYIWAVMKQO-QZTJIDSGSA-N 0 3 317.429 3.324 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC000811518812 627287445 /nfs/dbraw/zinc/28/74/45/627287445.db2.gz PEXSFYIWAVMKQO-QZTJIDSGSA-N 0 3 317.429 3.324 20 10 DGCDHN CN1CCN(Cc2cc(Cl)ccc2O)c2ccccc2C1 ZINC000816617781 627815615 /nfs/dbraw/zinc/81/56/15/627815615.db2.gz IPHWVGUQXNXEFO-UHFFFAOYSA-N 0 3 302.805 3.498 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000816625075 627816438 /nfs/dbraw/zinc/81/64/38/627816438.db2.gz QGTYVPWDODIFHS-UHFFFAOYSA-N 0 3 315.388 3.057 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]Cc2cc(C)nc(C)c2)c1[O-] ZINC000817411629 627895645 /nfs/dbraw/zinc/89/56/45/627895645.db2.gz STZOKZSNPBRIQT-UHFFFAOYSA-N 0 3 306.793 3.356 20 10 DGCDHN COc1cc([C@@H](C)N[C@@H](C)Cc2ccc(N(C)C)cc2C)on1 ZINC000926595218 627920091 /nfs/dbraw/zinc/92/00/91/627920091.db2.gz HHTMVBXPGSIQKY-UONOGXRCSA-N 0 3 317.433 3.339 20 10 DGCDHN COC1([C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCOCC1 ZINC000817587698 627927560 /nfs/dbraw/zinc/92/75/60/627927560.db2.gz HISIRIFOKMWFQI-MBNYWOFBSA-N 0 3 323.408 3.253 20 10 DGCDHN CC[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940844 627968657 /nfs/dbraw/zinc/96/86/57/627968657.db2.gz LGBILDZLUCIXJL-CABZTGNLSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](N)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000817954045 627973075 /nfs/dbraw/zinc/97/30/75/627973075.db2.gz AQXNPEUONVZDKW-BYCMXARLSA-N 0 3 300.377 3.369 20 10 DGCDHN CCCC[C@@H](CN)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000817961680 627975795 /nfs/dbraw/zinc/97/57/95/627975795.db2.gz CGVNXSPYRLWYEF-JQWIXIFHSA-N 0 3 315.255 3.323 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969548 627979043 /nfs/dbraw/zinc/97/90/43/627979043.db2.gz WXABKQFQVYRFHT-MWODSPESSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969548 627979046 /nfs/dbraw/zinc/97/90/46/627979046.db2.gz WXABKQFQVYRFHT-MWODSPESSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972049 627980217 /nfs/dbraw/zinc/98/02/17/627980217.db2.gz SREHQZPIAIMDDI-UTLUCORTSA-N 0 3 303.233 3.490 20 10 DGCDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000817979819 627981651 /nfs/dbraw/zinc/98/16/51/627981651.db2.gz OVHAJPUYLDNADJ-WMLDXEAASA-N 0 3 323.431 3.325 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(Br)cc1[O-] ZINC000818616374 628043558 /nfs/dbraw/zinc/04/35/58/628043558.db2.gz VOMAPTCWEKMQDU-ZWKOPEQDSA-N 0 3 313.239 3.075 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccccc1[O-] ZINC000824790489 628693924 /nfs/dbraw/zinc/69/39/24/628693924.db2.gz VSRQKPIPVDOJOS-MRXNPFEDSA-N 0 3 319.426 3.037 20 10 DGCDHN Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825089575 628726352 /nfs/dbraw/zinc/72/63/52/628726352.db2.gz FUCBCWYPQMOPOP-LLVKDONJSA-N 0 3 307.825 3.285 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000825311281 628748245 /nfs/dbraw/zinc/74/82/45/628748245.db2.gz IBIDWYXAZNMTDN-INIZCTEOSA-N 0 3 303.427 3.447 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1ccccc1[O-] ZINC000825328133 628750394 /nfs/dbraw/zinc/75/03/94/628750394.db2.gz YMYXRSXRPADSSO-QRTARXTBSA-N 0 3 315.417 3.087 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1Cl ZINC000825693308 628786377 /nfs/dbraw/zinc/78/63/77/628786377.db2.gz WALJBXGGAHHYTL-UHFFFAOYSA-N 0 3 304.777 3.013 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1Cl ZINC000825693308 628786379 /nfs/dbraw/zinc/78/63/79/628786379.db2.gz WALJBXGGAHHYTL-UHFFFAOYSA-N 0 3 304.777 3.013 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC000825725816 628791174 /nfs/dbraw/zinc/79/11/74/628791174.db2.gz ARFMWYHKXXWLAY-OAHLLOKOSA-N 0 3 318.804 3.402 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC000825725816 628791176 /nfs/dbraw/zinc/79/11/76/628791176.db2.gz ARFMWYHKXXWLAY-OAHLLOKOSA-N 0 3 318.804 3.402 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1[O-] ZINC000826911316 628903082 /nfs/dbraw/zinc/90/30/82/628903082.db2.gz VZINFLUQIXLRMH-JZKQVHKSSA-N 0 3 315.866 3.133 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1[O-] ZINC000826911314 628903108 /nfs/dbraw/zinc/90/31/08/628903108.db2.gz VZINFLUQIXLRMH-ARGWCVDVSA-N 0 3 315.866 3.133 20 10 DGCDHN CCCN(C)CC(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000827722956 628986021 /nfs/dbraw/zinc/98/60/21/628986021.db2.gz ZOUUQBNRBFSYJQ-UHFFFAOYSA-N 0 3 314.857 3.264 20 10 DGCDHN C[C@H](c1ccccc1)N(CC[S@@](C)=O)Cc1ccccc1O ZINC000828564196 629068477 /nfs/dbraw/zinc/06/84/77/629068477.db2.gz NNOQTXXVHWDKCI-IVZQSRNASA-N 0 3 317.454 3.334 20 10 DGCDHN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C(C)C)C2)c1[O-] ZINC000832779519 629514038 /nfs/dbraw/zinc/51/40/38/629514038.db2.gz ZNGOPAAESZRYKD-OAHLLOKOSA-N 0 3 324.852 3.163 20 10 DGCDHN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C(C)C)C2)c1[O-] ZINC000832779519 629514041 /nfs/dbraw/zinc/51/40/41/629514041.db2.gz ZNGOPAAESZRYKD-OAHLLOKOSA-N 0 3 324.852 3.163 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[O-] ZINC000832779519 629514044 /nfs/dbraw/zinc/51/40/44/629514044.db2.gz ZNGOPAAESZRYKD-OAHLLOKOSA-N 0 3 324.852 3.163 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[O-] ZINC000832779519 629514051 /nfs/dbraw/zinc/51/40/51/629514051.db2.gz ZNGOPAAESZRYKD-OAHLLOKOSA-N 0 3 324.852 3.163 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(Cn3cccn3)cc1)CC2 ZINC000834496380 629718053 /nfs/dbraw/zinc/71/80/53/629718053.db2.gz GARHJDIBBQKDOT-GOSISDBHSA-N 0 3 319.408 3.414 20 10 DGCDHN COCCOc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834518625 629719733 /nfs/dbraw/zinc/71/97/33/629719733.db2.gz KRISBLMSINAPHT-QGZVFWFLSA-N 0 3 313.397 3.195 20 10 DGCDHN CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834527090 629720294 /nfs/dbraw/zinc/72/02/94/629720294.db2.gz VEGFWCBHRTYRSW-MSOLQXFVSA-N 0 3 310.441 3.142 20 10 DGCDHN O=C1OCCN1c1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834526109 629720585 /nfs/dbraw/zinc/72/05/85/629720585.db2.gz DSDPJEUXTVSJNB-MRXNPFEDSA-N 0 3 324.380 3.126 20 10 DGCDHN COc1cccc(O[C@@H](C)C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834602817 629738933 /nfs/dbraw/zinc/73/89/33/629738933.db2.gz VDAVMMYTIMYCQM-GUYCJALGSA-N 0 3 313.397 3.445 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)CC2 ZINC000834668806 629752481 /nfs/dbraw/zinc/75/24/81/629752481.db2.gz OBXMJKXZIBPUNL-HOCLYGCPSA-N 0 3 303.789 3.356 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H](O)c1cccc(F)c1 ZINC000834676473 629755278 /nfs/dbraw/zinc/75/52/78/629755278.db2.gz UXZFJPWUQALSPV-GYOIFBIXSA-N 0 3 301.361 3.230 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(-n2ccnn2)cc1 ZINC000834694166 629759024 /nfs/dbraw/zinc/75/90/24/629759024.db2.gz UWEFRJLHFYNUPF-CXAGYDPISA-N 0 3 320.396 3.311 20 10 DGCDHN CC1CCC2(CC1)OC[C@H](C[NH2+][C@H]1CCc3cccc([O-])c31)O2 ZINC000834736935 629770353 /nfs/dbraw/zinc/77/03/53/629770353.db2.gz BSJXPDJKGZDKBZ-ZAKOAHRUSA-N 0 3 317.429 3.291 20 10 DGCDHN CO[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])Cc1ccccc1 ZINC000834857053 629791376 /nfs/dbraw/zinc/79/13/76/629791376.db2.gz YLDBOEYZJBXBFF-CJNGLKHVSA-N 0 3 303.377 3.440 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])[C@@H](C)O ZINC000834888256 629798557 /nfs/dbraw/zinc/79/85/57/629798557.db2.gz NZTVRUZGHUKVJU-CWSCBRNRSA-N 0 3 316.239 3.273 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c([O-])c1 ZINC000834899398 629802008 /nfs/dbraw/zinc/80/20/08/629802008.db2.gz PRFQABIWEDXVNR-PMUMKWKESA-N 0 3 315.417 3.005 20 10 DGCDHN Cc1cnc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000834910700 629806966 /nfs/dbraw/zinc/80/69/66/629806966.db2.gz YDOIJTMHFJPLIN-GFCCVEGCSA-N 0 3 305.809 3.346 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000835029831 629829823 /nfs/dbraw/zinc/82/98/23/629829823.db2.gz SXJHTZKMTOTFSC-QEVIJRNUSA-N 0 3 322.452 3.358 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCCc3c2cnn3C)cc1 ZINC000835036376 629830576 /nfs/dbraw/zinc/83/05/76/629830576.db2.gz PBGNKMOZLPTHEP-DUMMIQTOSA-N 0 3 310.445 3.167 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2cccnc2N(C)C)cc1 ZINC000835035141 629830637 /nfs/dbraw/zinc/83/06/37/629830637.db2.gz HMCUKKQADYVLEJ-ALCCZGGFSA-N 0 3 310.445 3.017 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000835038622 629831528 /nfs/dbraw/zinc/83/15/28/629831528.db2.gz BZTQTIZFAVOTBC-PHWHVTFISA-N 0 3 314.404 3.228 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2cnc3n2CCCC3)cc1 ZINC000835050560 629836606 /nfs/dbraw/zinc/83/66/06/629836606.db2.gz UROSKQUPMPKQDJ-WAYWQWQTSA-N 0 3 310.445 3.088 20 10 DGCDHN CN(C)c1ccc(/C=C/CN(C)[C@@H](CO)c2ccccc2)cc1 ZINC000835053458 629837589 /nfs/dbraw/zinc/83/75/89/629837589.db2.gz COWRAVANZPVKHC-DUIUGDAFSA-N 0 3 310.441 3.431 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCc2ccc(C)cn2)c1[O-] ZINC000835064604 629842644 /nfs/dbraw/zinc/84/26/44/629842644.db2.gz GHQAEWYNEOKRPG-UHFFFAOYSA-N 0 3 306.793 3.090 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNC(C)(C)C(=O)NCC(C)(C)C ZINC000840937502 630380883 /nfs/dbraw/zinc/38/08/83/630380883.db2.gz VKTBDMUVIGLKRT-UHFFFAOYSA-N 0 3 319.493 3.092 20 10 DGCDHN C[C@@H]1CN(Cc2cccc(F)c2[O-])c2cc(F)ccc2C[NH2+]1 ZINC000841046458 630401795 /nfs/dbraw/zinc/40/17/95/630401795.db2.gz BDLWHSVYOUSTSN-LLVKDONJSA-N 0 3 304.340 3.169 20 10 DGCDHN Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000841897078 630474940 /nfs/dbraw/zinc/47/49/40/630474940.db2.gz TYMGXWPBQKZPNP-MRXNPFEDSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000841897078 630474943 /nfs/dbraw/zinc/47/49/43/630474943.db2.gz TYMGXWPBQKZPNP-MRXNPFEDSA-N 0 3 316.376 3.278 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1[O-] ZINC000842884389 630588995 /nfs/dbraw/zinc/58/89/95/630588995.db2.gz JAKKVTPLHHYNAP-LSDHHAIUSA-N 0 3 304.434 3.141 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1[O-] ZINC000842930720 630594868 /nfs/dbraw/zinc/59/48/68/630594868.db2.gz ZOBZFXQAQMPVIH-SCVCMEIPSA-N 0 3 314.223 3.291 20 10 DGCDHN [NH3+]CCN(CCc1ccccc1)Cc1c([O-])cccc1Cl ZINC000843122216 630615665 /nfs/dbraw/zinc/61/56/65/630615665.db2.gz PCLKSUHBUNZAKS-UHFFFAOYSA-N 0 3 304.821 3.049 20 10 DGCDHN Cc1ccc(-c2nn(C)cc2C[N@H+](C)Cc2ccccc2[O-])o1 ZINC000843394611 630652137 /nfs/dbraw/zinc/65/21/37/630652137.db2.gz SMBURUFJEBWFRT-UHFFFAOYSA-N 0 3 311.385 3.326 20 10 DGCDHN Cc1ccc(-c2nn(C)cc2C[N@@H+](C)Cc2ccccc2[O-])o1 ZINC000843394611 630652138 /nfs/dbraw/zinc/65/21/38/630652138.db2.gz SMBURUFJEBWFRT-UHFFFAOYSA-N 0 3 311.385 3.326 20 10 DGCDHN CCCN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CC[N@H+](C)C1 ZINC000843423173 630656453 /nfs/dbraw/zinc/65/64/53/630656453.db2.gz YAMXKYSYBJORSR-LLVKDONJSA-N 0 3 300.805 3.101 20 10 DGCDHN CCCN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CC[N@@H+](C)C1 ZINC000843423173 630656456 /nfs/dbraw/zinc/65/64/56/630656456.db2.gz YAMXKYSYBJORSR-LLVKDONJSA-N 0 3 300.805 3.101 20 10 DGCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000844312063 630717988 /nfs/dbraw/zinc/71/79/88/630717988.db2.gz CDVJBKZDACZTJG-QAPCUYQASA-N 0 3 324.424 3.234 20 10 DGCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000844312063 630717990 /nfs/dbraw/zinc/71/79/90/630717990.db2.gz CDVJBKZDACZTJG-QAPCUYQASA-N 0 3 324.424 3.234 20 10 DGCDHN C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)[C@H]1CC[NH3+] ZINC000844900684 630970291 /nfs/dbraw/zinc/97/02/91/630970291.db2.gz CQEYFWAGPMEDNQ-GWCFXTLKSA-N 0 3 300.805 3.134 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000844904289 630972822 /nfs/dbraw/zinc/97/28/22/630972822.db2.gz GVOVLUZLVDWFQX-OAHLLOKOSA-N 0 3 312.413 3.307 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC(C3(O)CC3)CC2)cc1F ZINC000846009184 631205431 /nfs/dbraw/zinc/20/54/31/631205431.db2.gz UULXMZUTPODVPN-UHFFFAOYSA-N 0 3 320.452 3.409 20 10 DGCDHN CC[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccccc1[O-] ZINC000846012376 631206100 /nfs/dbraw/zinc/20/61/00/631206100.db2.gz YXGTUBBNQRGTIN-QUCCMNQESA-N 0 3 311.425 3.309 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000846039244 631207590 /nfs/dbraw/zinc/20/75/90/631207590.db2.gz PZRPHYZVIJPBKZ-IFXJQAMLSA-N 0 3 315.413 3.177 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846102293 631209347 /nfs/dbraw/zinc/20/93/47/631209347.db2.gz LMFPNRYCBJOOSO-JTQLQIEISA-N 0 3 304.217 3.464 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@@]3(CC3(F)F)C2)c1O ZINC000846118554 631210862 /nfs/dbraw/zinc/21/08/62/631210862.db2.gz XLSBZXUQNIQZGF-CYBMUJFWSA-N 0 3 303.736 3.285 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846118554 631210863 /nfs/dbraw/zinc/21/08/63/631210863.db2.gz XLSBZXUQNIQZGF-CYBMUJFWSA-N 0 3 303.736 3.285 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846118554 631210864 /nfs/dbraw/zinc/21/08/64/631210864.db2.gz XLSBZXUQNIQZGF-CYBMUJFWSA-N 0 3 303.736 3.285 20 10 DGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC23CC3)c1[O-] ZINC000848553928 631691083 /nfs/dbraw/zinc/69/10/83/631691083.db2.gz RNBQOBXQODYQCL-PRHODGIISA-N 0 3 312.207 3.366 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000848566327 631695920 /nfs/dbraw/zinc/69/59/20/631695920.db2.gz VBKBWIPSKXSEFO-VKOGCRJHSA-N 0 3 313.372 3.328 20 10 DGCDHN CCc1cccc(CN[C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000848920067 631787570 /nfs/dbraw/zinc/78/75/70/631787570.db2.gz WSOFSLPQOUEKCD-YVEFUNNKSA-N 0 3 303.377 3.305 20 10 DGCDHN [NH2+]=C(NCc1cc(Br)ccc1[O-])Nc1ccccc1 ZINC000849050400 631818335 /nfs/dbraw/zinc/81/83/35/631818335.db2.gz PXNYTOKIKDFVOI-UHFFFAOYSA-N 0 3 320.190 3.291 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(N)ccc32)c1[O-] ZINC000849352902 631902073 /nfs/dbraw/zinc/90/20/73/631902073.db2.gz SBLLAVCPRHNXOT-OAHLLOKOSA-N 0 3 318.804 3.414 20 10 DGCDHN COc1ccc(N2CC[C@@H](NCc3cc(F)ccc3F)C2)cc1 ZINC000850345463 632120054 /nfs/dbraw/zinc/12/00/54/632120054.db2.gz BAKJDQDPTYAKRJ-OAHLLOKOSA-N 0 3 318.367 3.342 20 10 DGCDHN COC[C@H](NCc1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850362962 632125709 /nfs/dbraw/zinc/12/57/09/632125709.db2.gz WQELEAFEBGJNHR-KRWDZBQOSA-N 0 3 301.386 3.187 20 10 DGCDHN COC[C@@H](NCc1cc(C)ccc1O)c1cccc(OC)c1 ZINC000850362963 632125835 /nfs/dbraw/zinc/12/58/35/632125835.db2.gz WQELEAFEBGJNHR-QGZVFWFLSA-N 0 3 301.386 3.187 20 10 DGCDHN CN(C)c1ccc(/C=C\CNC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850380214 632133018 /nfs/dbraw/zinc/13/30/18/632133018.db2.gz QKEBCNFNJJIHBN-ZSSZLNJBSA-N 0 3 322.399 3.170 20 10 DGCDHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000850406726 632142476 /nfs/dbraw/zinc/14/24/76/632142476.db2.gz RHCFALUJFBTJQV-UHFFFAOYSA-N 0 3 316.470 3.307 20 10 DGCDHN C[C@H](O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850419493 632146561 /nfs/dbraw/zinc/14/65/61/632146561.db2.gz FTIIERRDEIXJNE-SCLBCKFNSA-N 0 3 302.393 3.103 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)c([O-])c1 ZINC000850419404 632146888 /nfs/dbraw/zinc/14/68/88/632146888.db2.gz DKNQJEZPTADELT-SCLBCKFNSA-N 0 3 301.386 3.003 20 10 DGCDHN c1cc2n(n1)CCC[C@H]2NCc1ccc(N2CCCCC2)cc1 ZINC000850431271 632150826 /nfs/dbraw/zinc/15/08/26/632150826.db2.gz VNOAFXAMWUUYGQ-GOSISDBHSA-N 0 3 310.445 3.498 20 10 DGCDHN COC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CCOCC1 ZINC000850493430 632170882 /nfs/dbraw/zinc/17/08/82/632170882.db2.gz HLZZILOLODHXAZ-UGFHNGPFSA-N 0 3 323.408 3.111 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(C)cc1[O-] ZINC000850503744 632174338 /nfs/dbraw/zinc/17/43/38/632174338.db2.gz YTEHHWVWKVJTIB-OAJLEGQYSA-N 0 3 309.475 3.431 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1[O-] ZINC000850536648 632186044 /nfs/dbraw/zinc/18/60/44/632186044.db2.gz IPGLNOJVUOKXQZ-YGRLFVJLSA-N 0 3 305.324 3.325 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000850541154 632186613 /nfs/dbraw/zinc/18/66/13/632186613.db2.gz SMIQWOOIPHODIF-YXJHDRRASA-N 0 3 313.445 3.496 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1[O-] ZINC000850555418 632192245 /nfs/dbraw/zinc/19/22/45/632192245.db2.gz IFDJQNHWLGJIII-ZFWWWQNUSA-N 0 3 304.434 3.080 20 10 DGCDHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)[C@H]1CCOC1 ZINC000851771898 632488852 /nfs/dbraw/zinc/48/88/52/632488852.db2.gz RDGHRRDRPPCDLB-QFBILLFUSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)[C@H]1CCOC1 ZINC000851771898 632488853 /nfs/dbraw/zinc/48/88/53/632488853.db2.gz RDGHRRDRPPCDLB-QFBILLFUSA-N 0 3 319.445 3.188 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](OC)[C@H]1CCOC1 ZINC000852017971 632540557 /nfs/dbraw/zinc/54/05/57/632540557.db2.gz IGAGRPNJRWPKLW-FUHWJXTLSA-N 0 3 307.434 3.046 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](OC)[C@H]1CCOC1 ZINC000852017971 632540560 /nfs/dbraw/zinc/54/05/60/632540560.db2.gz IGAGRPNJRWPKLW-FUHWJXTLSA-N 0 3 307.434 3.046 20 10 DGCDHN C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000706406731 660857071 /nfs/dbraw/zinc/85/70/71/660857071.db2.gz MAWLXPNVZJBCFV-CHWSQXEVSA-N 0 3 308.422 3.298 20 10 DGCDHN Cc1ccncc1CNCc1ccc(N2CCSCC2)cc1 ZINC000792921443 660993616 /nfs/dbraw/zinc/99/36/16/660993616.db2.gz NKGZAUYASBPDJR-UHFFFAOYSA-N 0 3 313.470 3.233 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c([O-])c1 ZINC000793391383 661029759 /nfs/dbraw/zinc/02/97/59/661029759.db2.gz XASZQZPYPRGTFH-HNNXBMFYSA-N 0 3 303.789 3.311 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794795402 661105758 /nfs/dbraw/zinc/10/57/58/661105758.db2.gz SYZUJUUJCJJKDM-ROUUACIJSA-N 0 3 320.477 3.098 20 10 DGCDHN CC[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(C)cc1[O-] ZINC000794797866 661105862 /nfs/dbraw/zinc/10/58/62/661105862.db2.gz QNCIAEFSXDGYHU-KRWDZBQOSA-N 0 3 316.445 3.142 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000794802336 661105981 /nfs/dbraw/zinc/10/59/81/661105981.db2.gz DZWTXDVAJCKNRY-GXTWGEPZSA-N 0 3 316.367 3.378 20 10 DGCDHN CC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(C)cc1[O-] ZINC000794802587 661106383 /nfs/dbraw/zinc/10/63/83/661106383.db2.gz GDIMKKPOLOSILB-HNNXBMFYSA-N 0 3 312.404 3.471 20 10 DGCDHN C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179578924 655909103 /nfs/dbraw/zinc/90/91/03/655909103.db2.gz JLEZCIKBEFEHNU-QGZVFWFLSA-N 0 3 310.441 3.489 20 10 DGCDHN C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1[O-] ZINC000179578924 655909104 /nfs/dbraw/zinc/90/91/04/655909104.db2.gz JLEZCIKBEFEHNU-QGZVFWFLSA-N 0 3 310.441 3.489 20 10 DGCDHN C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000179875887 655919434 /nfs/dbraw/zinc/91/94/34/655919434.db2.gz UPVRHBPJCOKQQU-NSHDSACASA-N 0 3 304.777 3.335 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cc(F)ccc1[O-] ZINC000176980947 655970779 /nfs/dbraw/zinc/97/07/79/655970779.db2.gz GQEFORNBWIUFFB-DYVFJYSZSA-N 0 3 302.393 3.485 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716239121 661220293 /nfs/dbraw/zinc/22/02/93/661220293.db2.gz ZEPKNMXJGQZVKJ-UHFFFAOYSA-N 0 3 301.361 3.369 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000179879593 656089140 /nfs/dbraw/zinc/08/91/40/656089140.db2.gz WVBLZSHYOPDSAR-KGLIPLIRSA-N 0 3 320.433 3.442 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCCCCC2)c1[O-] ZINC000228670549 657999471 /nfs/dbraw/zinc/99/94/71/657999471.db2.gz MNULXCFWLKZSPQ-UHFFFAOYSA-N 0 3 312.841 3.020 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cc(F)ccc1[O-] ZINC000321682552 658290688 /nfs/dbraw/zinc/29/06/88/658290688.db2.gz NFKCOWZDPQATNI-GFCCVEGCSA-N 0 3 322.424 3.219 20 10 DGCDHN [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC000230126144 659313547 /nfs/dbraw/zinc/31/35/47/659313547.db2.gz KPPIOEMCUDJPDM-LJWDBELGSA-N 0 3 315.244 3.258 20 10 DGCDHN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000179566913 659933894 /nfs/dbraw/zinc/93/38/94/659933894.db2.gz MDIWJHYUMHKNBN-INIZCTEOSA-N 0 3 324.424 3.034 20 10 DGCDHN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000179566913 659933895 /nfs/dbraw/zinc/93/38/95/659933895.db2.gz MDIWJHYUMHKNBN-INIZCTEOSA-N 0 3 324.424 3.034 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000180262126 659957654 /nfs/dbraw/zinc/95/76/54/659957654.db2.gz MHTUJGJGDLNYOM-SFHVURJKSA-N 0 3 315.388 3.365 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000180262126 659957656 /nfs/dbraw/zinc/95/76/56/659957656.db2.gz MHTUJGJGDLNYOM-SFHVURJKSA-N 0 3 315.388 3.365 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000068973690 659970982 /nfs/dbraw/zinc/97/09/82/659970982.db2.gz BGKYKXYVSIHNFQ-QGZVFWFLSA-N 0 3 315.413 3.044 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000068973690 659970983 /nfs/dbraw/zinc/97/09/83/659970983.db2.gz BGKYKXYVSIHNFQ-QGZVFWFLSA-N 0 3 315.413 3.044 20 10 DGCDHN CCC(CC)[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183406669 660110226 /nfs/dbraw/zinc/11/02/26/660110226.db2.gz DREGTUQBPUZIAD-QAPCUYQASA-N 0 3 320.477 3.180 20 10 DGCDHN CC[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000155576821 661849534 /nfs/dbraw/zinc/84/95/34/661849534.db2.gz JZOWFOSOSFQUED-CQSZACIVSA-N 0 3 308.422 3.300 20 10 DGCDHN CCOC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000188002840 661911444 /nfs/dbraw/zinc/91/14/44/661911444.db2.gz TXIYPQLQGNYLJS-ZDUSSCGKSA-N 0 3 301.814 3.205 20 10 DGCDHN CCN(C)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000191149989 662055414 /nfs/dbraw/zinc/05/54/14/662055414.db2.gz AVZBQCWVBHFWRX-UHFFFAOYSA-N 0 3 312.461 3.236 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000192680158 662107979 /nfs/dbraw/zinc/10/79/79/662107979.db2.gz HDAINPULHMFXTC-CHWSQXEVSA-N 0 3 308.422 3.264 20 10 DGCDHN CN(Cc1cc2ccccc2o1)Cc1cc2c(cc1O)OCO2 ZINC000083114030 662193774 /nfs/dbraw/zinc/19/37/74/662193774.db2.gz BIXNTGVJYULEMJ-UHFFFAOYSA-N 0 3 311.337 3.499 20 10 DGCDHN C[C@@H](NCc1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000065430054 685054579 /nfs/dbraw/zinc/05/45/79/685054579.db2.gz CCZSYXMKTHKQTM-CQSZACIVSA-N 0 3 302.443 3.436 20 10 DGCDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000389854504 685197690 /nfs/dbraw/zinc/19/76/90/685197690.db2.gz YNSWJNCBMVAJPH-MNEFBYGVSA-N 0 3 322.452 3.490 20 10 DGCDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000393845031 685219166 /nfs/dbraw/zinc/21/91/66/685219166.db2.gz CLTXCVYNUUYLAO-KSSFIOAISA-N 0 3 324.428 3.053 20 10 DGCDHN C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC000399181847 685239912 /nfs/dbraw/zinc/23/99/12/685239912.db2.gz LWKFJBOEJGBVLO-HIFRSBDPSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC000399181844 685239975 /nfs/dbraw/zinc/23/99/75/685239975.db2.gz LWKFJBOEJGBVLO-DZGCQCFKSA-N 0 3 320.433 3.270 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@H](c3c[nH]nn3)CC2)cc1Cl ZINC001577349006 1191895146 /nfs/dbraw/zinc/89/51/46/1191895146.db2.gz XGBGAEJGMKPFIF-AULYBMBSSA-N 0 3 320.824 3.288 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@]2(C)CCCC[C@@H]2O)cc1F ZINC001331273130 1178171247 /nfs/dbraw/zinc/17/12/47/1178171247.db2.gz VQRDPKLDDPQBNF-DLBZAZTESA-N 0 3 312.404 3.062 20 10 DGCDHN CC(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001439960258 1182023429 /nfs/dbraw/zinc/02/34/29/1182023429.db2.gz LFTAGNYPXGXCMA-YJBOKZPZSA-N 0 3 319.493 3.154 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ccccc1[O-] ZINC001473723436 1183793387 /nfs/dbraw/zinc/79/33/87/1183793387.db2.gz GOQMAVKHKNXDHD-SNVBAGLBSA-N 0 3 322.767 3.474 20 10 DGCDHN C[C@H](N[C@@H](C)c1ccccc1O)C(=O)c1c[nH]c2ncccc12 ZINC001473723722 1183793442 /nfs/dbraw/zinc/79/34/42/1183793442.db2.gz JHYMFZXPVSFJBN-RYUDHWBXSA-N 0 3 309.369 3.191 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)c1c[nH]c2ncccc12 ZINC001473723722 1183793444 /nfs/dbraw/zinc/79/34/44/1183793444.db2.gz JHYMFZXPVSFJBN-RYUDHWBXSA-N 0 3 309.369 3.191 20 10 DGCDHN C[C@H](N[C@@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(N(C)C)cc1 ZINC001474116798 1183870633 /nfs/dbraw/zinc/87/06/33/1183870633.db2.gz HAYJVTHDECRTLR-RRQGHBQHSA-N 0 3 322.424 3.037 20 10 DGCDHN CN(C)c1ccc(CN(C)C[C@@H]2C[C@]2(C)Br)cc1 ZINC001474307436 1183902620 /nfs/dbraw/zinc/90/26/20/1183902620.db2.gz LXNVTJNSUGXOEJ-ZFWWWQNUSA-N 0 3 311.267 3.358 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c([O-])c1 ZINC001474497817 1183932099 /nfs/dbraw/zinc/93/20/99/1183932099.db2.gz WMXFRKNGLHMGOS-OXQOHEQNSA-N 0 3 313.441 3.420 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c([O-])c1 ZINC001474582370 1183944812 /nfs/dbraw/zinc/94/48/12/1183944812.db2.gz IOJAPAIWXQXMER-SFHVURJKSA-N 0 3 319.445 3.346 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c([O-])c1 ZINC001474582370 1183944816 /nfs/dbraw/zinc/94/48/16/1183944816.db2.gz IOJAPAIWXQXMER-SFHVURJKSA-N 0 3 319.445 3.346 20 10 DGCDHN Cc1ccsc1[C@H](CO)NCc1ccc(N2CCCC2)cc1 ZINC001560364850 1189318735 /nfs/dbraw/zinc/31/87/35/1189318735.db2.gz AAESJBRPKQMIQI-KRWDZBQOSA-N 0 3 316.470 3.480 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H](C)c2nc(C)cs2)c([O-])c1 ZINC001560737436 1189371481 /nfs/dbraw/zinc/37/14/81/1189371481.db2.gz AZYUETYUXISCAT-LLVKDONJSA-N 0 3 306.431 3.367 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC001561042502 1189424956 /nfs/dbraw/zinc/42/49/56/1189424956.db2.gz CDJHTBUBEYVTOB-HZPDHXFCSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC001561042502 1189424959 /nfs/dbraw/zinc/42/49/59/1189424959.db2.gz CDJHTBUBEYVTOB-HZPDHXFCSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC001561042503 1189425624 /nfs/dbraw/zinc/42/56/24/1189425624.db2.gz CDJHTBUBEYVTOB-JKSUJKDBSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC001561042503 1189425629 /nfs/dbraw/zinc/42/56/29/1189425629.db2.gz CDJHTBUBEYVTOB-JKSUJKDBSA-N 0 3 319.445 3.348 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2CC[C@@H](C3CC3)O2)cc1F ZINC001621087441 1193800253 /nfs/dbraw/zinc/80/02/53/1193800253.db2.gz MBHSFOFALUBTDT-DYVFJYSZSA-N 0 3 310.388 3.078 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001621114675 1193804880 /nfs/dbraw/zinc/80/48/80/1193804880.db2.gz QVFJEIWSNOEESB-WBVHZDCISA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001621114675 1193804883 /nfs/dbraw/zinc/80/48/83/1193804883.db2.gz QVFJEIWSNOEESB-WBVHZDCISA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001621114673 1193805267 /nfs/dbraw/zinc/80/52/67/1193805267.db2.gz QVFJEIWSNOEESB-NVXWUHKLSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001621114673 1193805269 /nfs/dbraw/zinc/80/52/69/1193805269.db2.gz QVFJEIWSNOEESB-NVXWUHKLSA-N 0 3 318.461 3.217 20 10 DGCDHN COc1ccc(N(C)CCN(C)Cc2cccn2C(F)F)cc1 ZINC001621423646 1193840730 /nfs/dbraw/zinc/84/07/30/1193840730.db2.gz APYOXENOMHUVNR-UHFFFAOYSA-N 0 3 323.387 3.460 20 10 DGCDHN Oc1ccc(F)cc1CNCc1cccc2c1OC(F)(F)O2 ZINC001621457922 1193845565 /nfs/dbraw/zinc/84/55/65/1193845565.db2.gz QZFQSDHIRLUWDT-UHFFFAOYSA-N 0 3 311.259 3.143 20 10 DGCDHN CCOC(=O)C(CC)(CC)C[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001621468382 1193846566 /nfs/dbraw/zinc/84/65/66/1193846566.db2.gz MSPPDHOSAYENAP-UHFFFAOYSA-N 0 3 323.433 3.168 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc3scnc3c2)c([O-])c1 ZINC001652296091 1195577279 /nfs/dbraw/zinc/57/72/79/1195577279.db2.gz WIOKATUYHSUYHF-UHFFFAOYSA-N 0 3 300.383 3.300 20 10 DGCDHN COc1ccc(N2CCN(CC[C@@H]3C[C@H]3C3CC3)CC2)cc1F ZINC001652873139 1195665174 /nfs/dbraw/zinc/66/51/74/1195665174.db2.gz CNEVACUDRVANIJ-WBVHZDCISA-N 0 3 318.436 3.393 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC(C)(C)CO2)c1[O-] ZINC001653025450 1195681555 /nfs/dbraw/zinc/68/15/55/1195681555.db2.gz AWZNHJZZFMLKBL-ZDUSSCGKSA-N 0 3 313.825 3.349 20 10 DGCDHN CCOc1ccc(N2CCN(C[C@H](CC(C)C)OC)CC2)cc1 ZINC001653840648 1195754715 /nfs/dbraw/zinc/75/47/15/1195754715.db2.gz LQJZXIYKOMOFSW-IBGZPJMESA-N 0 3 320.477 3.268 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1c(F)cccc1F ZINC001655349829 1195906831 /nfs/dbraw/zinc/90/68/31/1195906831.db2.gz VBBPRCSMGRMUIS-QWRGUYRKSA-N 0 3 320.339 3.348 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001657230454 1196120992 /nfs/dbraw/zinc/12/09/92/1196120992.db2.gz ZZDBQLOLUXCZOS-PXAZEXFGSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001657230454 1196120994 /nfs/dbraw/zinc/12/09/94/1196120994.db2.gz ZZDBQLOLUXCZOS-PXAZEXFGSA-N 0 3 322.399 3.119 20 10 DGCDHN COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)ccc1[O-])CCO2 ZINC001658732087 1196293464 /nfs/dbraw/zinc/29/34/64/1196293464.db2.gz FKVNTWYRTBBGHI-OAHLLOKOSA-N 0 3 303.333 3.153 20 10 DGCDHN CCCN(Cc1ccc(C(=O)OCC)[nH]1)Cc1ccccc1O ZINC001659090866 1196343147 /nfs/dbraw/zinc/34/31/47/1196343147.db2.gz GIMHAGREOXMKQG-UHFFFAOYSA-N 0 3 316.401 3.309 20 10 DGCDHN CCC[N@H+](Cc1ccc(C(=O)OCC)[nH]1)Cc1ccccc1[O-] ZINC001659090866 1196343152 /nfs/dbraw/zinc/34/31/52/1196343152.db2.gz GIMHAGREOXMKQG-UHFFFAOYSA-N 0 3 316.401 3.309 20 10 DGCDHN CCC[N@@H+](Cc1ccc(C(=O)OCC)[nH]1)Cc1ccccc1[O-] ZINC001659090866 1196343153 /nfs/dbraw/zinc/34/31/53/1196343153.db2.gz GIMHAGREOXMKQG-UHFFFAOYSA-N 0 3 316.401 3.309 20 10 DGCDHN COc1ccc(CNCc2cccs2)cc1Cn1cccn1 ZINC001660752123 1196519063 /nfs/dbraw/zinc/51/90/63/1196519063.db2.gz BAMJQBNVSVMQOF-UHFFFAOYSA-N 0 3 313.426 3.291 20 10 DGCDHN CCCOc1ccc(CN[C@H]2CCCC23OCCO3)cc1C ZINC001662967098 1196777701 /nfs/dbraw/zinc/77/77/01/1196777701.db2.gz YSUCTTUOBGUCQL-KRWDZBQOSA-N 0 3 305.418 3.169 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2OCc3ccccc32)cc1F ZINC001663475108 1196879770 /nfs/dbraw/zinc/87/97/70/1196879770.db2.gz VKDUBBAAWWEDNL-SFHVURJKSA-N 0 3 318.367 3.392 20 10 DGCDHN COc1ccc(CNC/C=C\CNC(=O)[C@@H](C)C(C)C)cc1C ZINC001669069328 1197439772 /nfs/dbraw/zinc/43/97/72/1197439772.db2.gz GGMGTJQVRHCYRD-WLMCBFPDSA-N 0 3 318.461 3.058 20 10 DGCDHN CCC(CC)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001754508627 1200324886 /nfs/dbraw/zinc/32/48/86/1200324886.db2.gz UFNZILRCKFTCEG-UHFFFAOYSA-N 0 3 318.461 3.178 20 10 DGCDHN Cc1cc(C[N@H+](C)[C@H]2CCCOC2)c([O-])cc1Br ZINC001250136572 1105451094 /nfs/dbraw/zinc/45/10/94/1105451094.db2.gz UYPVCSZOJFSVBC-LBPRGKRZSA-N 0 3 314.223 3.074 20 10 DGCDHN Oc1ccc(CNc2ccc(F)c(CN3CCCC3)c2)cc1O ZINC001169996481 1081818227 /nfs/dbraw/zinc/81/82/27/1081818227.db2.gz AGEJJWPRKAYPOB-UHFFFAOYSA-N 0 3 316.376 3.445 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170676133 1083082622 /nfs/dbraw/zinc/08/26/22/1083082622.db2.gz WJNLQBSODAUSQR-ZDUSSCGKSA-N 0 3 305.324 3.023 20 10 DGCDHN CN(C)c1ccc(CN2C[C@H]3CCCC(=O)[C@@H]3C2)c(Cl)c1 ZINC001140927227 1083189173 /nfs/dbraw/zinc/18/91/73/1083189173.db2.gz JXFQWTBSEHVNAW-IUODEOHRSA-N 0 3 306.837 3.207 20 10 DGCDHN CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203560997 1083903044 /nfs/dbraw/zinc/90/30/44/1083903044.db2.gz KPSCWMUHYXKJCW-INIZCTEOSA-N 0 3 317.429 3.338 20 10 DGCDHN COC(=O)[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])C1CCCCC1 ZINC001183741956 1084020336 /nfs/dbraw/zinc/02/03/36/1084020336.db2.gz XODNUILGKCSHDO-INIZCTEOSA-N 0 3 305.418 3.160 20 10 DGCDHN Cc1ncc(CNCc2ccc3c(c2)CCO3)n1-c1ccccc1 ZINC001649009831 1087533444 /nfs/dbraw/zinc/53/34/44/1087533444.db2.gz KUVOERLTPDTXMH-UHFFFAOYSA-N 0 3 319.408 3.405 20 10 DGCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\C(C)(C)C)N(C)C)cc1 ZINC001158718426 1087989399 /nfs/dbraw/zinc/98/93/99/1087989399.db2.gz XRRZHGJDXWOLKH-QOHRORDFSA-N 0 3 317.477 3.074 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC001203555752 1090598066 /nfs/dbraw/zinc/59/80/66/1090598066.db2.gz GZWRSWOBXHJRMF-OAHLLOKOSA-N 0 3 320.433 3.271 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC001203555752 1090598072 /nfs/dbraw/zinc/59/80/72/1090598072.db2.gz GZWRSWOBXHJRMF-OAHLLOKOSA-N 0 3 320.433 3.271 20 10 DGCDHN C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC001203555706 1090753871 /nfs/dbraw/zinc/75/38/71/1090753871.db2.gz CQFIGTMSOJSVEL-HIFRSBDPSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC001203555706 1090753873 /nfs/dbraw/zinc/75/38/73/1090753873.db2.gz CQFIGTMSOJSVEL-HIFRSBDPSA-N 0 3 320.433 3.270 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001203552192 1090754721 /nfs/dbraw/zinc/75/47/21/1090754721.db2.gz DLWRROCQZBCTAU-XLIONFOSSA-N 0 3 324.424 3.468 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001203552192 1090754725 /nfs/dbraw/zinc/75/47/25/1090754725.db2.gz DLWRROCQZBCTAU-XLIONFOSSA-N 0 3 324.424 3.468 20 10 DGCDHN C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1[O-] ZINC001203561721 1090756722 /nfs/dbraw/zinc/75/67/22/1090756722.db2.gz YJHKDAJWZBXCOC-UKRRQHHQSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccccc1[O-] ZINC001203561721 1090756724 /nfs/dbraw/zinc/75/67/24/1090756724.db2.gz YJHKDAJWZBXCOC-UKRRQHHQSA-N 0 3 320.433 3.270 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c([O-])c1 ZINC001203621025 1090768074 /nfs/dbraw/zinc/76/80/74/1090768074.db2.gz NZUIZMOJPVLLCK-ZDUSSCGKSA-N 0 3 307.287 3.125 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c([O-])c1 ZINC001203621025 1090768077 /nfs/dbraw/zinc/76/80/77/1090768077.db2.gz NZUIZMOJPVLLCK-ZDUSSCGKSA-N 0 3 307.287 3.125 20 10 DGCDHN COc1ccc(C[NH+]2CCC3(CCOC3(C)C)CC2)c([O-])c1 ZINC001203634858 1090770323 /nfs/dbraw/zinc/77/03/23/1090770323.db2.gz YQCJYYPBNUIMOG-UHFFFAOYSA-N 0 3 305.418 3.182 20 10 DGCDHN CCCCCCN1CCN(Cc2cc(OC)ccc2O)CC1 ZINC001203675049 1090777769 /nfs/dbraw/zinc/77/77/69/1090777769.db2.gz JLRQQQDKQIPGMK-UHFFFAOYSA-N 0 3 306.450 3.099 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)CCOc2ccccc2)c([O-])c1 ZINC001204154675 1090909427 /nfs/dbraw/zinc/90/94/27/1090909427.db2.gz QLCDECQDNGEBJU-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)CCOc2ccccc2)c([O-])c1 ZINC001204154675 1090909433 /nfs/dbraw/zinc/90/94/33/1090909433.db2.gz QLCDECQDNGEBJU-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN Oc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 ZINC001204272308 1090938041 /nfs/dbraw/zinc/93/80/41/1090938041.db2.gz NDWOGDGMYPKVCE-UHFFFAOYSA-N 0 3 318.804 3.073 20 10 DGCDHN OCc1ccc2c(c1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204326336 1090949183 /nfs/dbraw/zinc/94/91/83/1090949183.db2.gz XDSHFDUJOHZLLL-UHFFFAOYSA-N 0 3 322.452 3.337 20 10 DGCDHN CCN(CC)c1ccc(CN2CCN(CC)C[C@H]2C)c(OC)c1 ZINC001138392063 1091165509 /nfs/dbraw/zinc/16/55/09/1091165509.db2.gz OKOBUWCJDFYZTA-MRXNPFEDSA-N 0 3 319.493 3.067 20 10 DGCDHN COc1ccc2c(c1)c(C[N@@H+]1CCc3cccc([O-])c3C1)cn2C ZINC001139147326 1091465119 /nfs/dbraw/zinc/46/51/19/1091465119.db2.gz JZRDMBWPLOZLGL-UHFFFAOYSA-N 0 3 322.408 3.451 20 10 DGCDHN COc1ccc2c(c1)c(C[N@H+]1CCc3cccc([O-])c3C1)cn2C ZINC001139147326 1091465127 /nfs/dbraw/zinc/46/51/27/1091465127.db2.gz JZRDMBWPLOZLGL-UHFFFAOYSA-N 0 3 322.408 3.451 20 10 DGCDHN N[C@]1(C(F)(F)F)CCN(Cc2cc3ccccc3cc2O)C1 ZINC001206245125 1091547925 /nfs/dbraw/zinc/54/79/25/1091547925.db2.gz QMCXDHIMTDLVDG-OAHLLOKOSA-N 0 3 310.319 3.011 20 10 DGCDHN N[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206245125 1091547930 /nfs/dbraw/zinc/54/79/30/1091547930.db2.gz QMCXDHIMTDLVDG-OAHLLOKOSA-N 0 3 310.319 3.011 20 10 DGCDHN N[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206245125 1091547936 /nfs/dbraw/zinc/54/79/36/1091547936.db2.gz QMCXDHIMTDLVDG-OAHLLOKOSA-N 0 3 310.319 3.011 20 10 DGCDHN Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056100 1091751289 /nfs/dbraw/zinc/75/12/89/1091751289.db2.gz HXMVSLNAMCKDAG-MRXNPFEDSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056100 1091751294 /nfs/dbraw/zinc/75/12/94/1091751294.db2.gz HXMVSLNAMCKDAG-MRXNPFEDSA-N 0 3 316.376 3.278 20 10 DGCDHN CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140059193 1091751891 /nfs/dbraw/zinc/75/18/91/1091751891.db2.gz YDSMLNHXZVOPCY-AWEZNQCLSA-N 0 3 309.381 3.228 20 10 DGCDHN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140059193 1091751897 /nfs/dbraw/zinc/75/18/97/1091751897.db2.gz YDSMLNHXZVOPCY-AWEZNQCLSA-N 0 3 309.381 3.228 20 10 DGCDHN COc1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1[O-])CCC2 ZINC001140060425 1091753999 /nfs/dbraw/zinc/75/39/99/1091753999.db2.gz VNVBZYIBYUOXBE-UHFFFAOYSA-N 0 3 301.361 3.488 20 10 DGCDHN COc1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1[O-])CCC2 ZINC001140060425 1091754004 /nfs/dbraw/zinc/75/40/04/1091754004.db2.gz VNVBZYIBYUOXBE-UHFFFAOYSA-N 0 3 301.361 3.488 20 10 DGCDHN COc1ccc(N2CCN(CCc3ccc(F)cc3)CC2)cc1 ZINC001207511886 1091999157 /nfs/dbraw/zinc/99/91/57/1091999157.db2.gz TWZRXBCJUGPMQU-UHFFFAOYSA-N 0 3 314.404 3.199 20 10 DGCDHN CC(=O)N1CCCCC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001140949856 1092074443 /nfs/dbraw/zinc/07/44/43/1092074443.db2.gz NNZCLWQTNNRENM-UHFFFAOYSA-N 0 3 316.445 3.068 20 10 DGCDHN COC(=O)c1ccc2c(c1)CN(Cc1ccc(C)cc1O)CC2 ZINC001140951063 1092077397 /nfs/dbraw/zinc/07/73/97/1092077397.db2.gz WWHUCSJDMBXWPM-UHFFFAOYSA-N 0 3 311.381 3.046 20 10 DGCDHN O=C1CC2(CCN(Cc3cc(O)ccc3O)CC2)c2ccccc21 ZINC001141163278 1092157524 /nfs/dbraw/zinc/15/75/24/1092157524.db2.gz YGSJCWWRMJEOIY-UHFFFAOYSA-N 0 3 323.392 3.218 20 10 DGCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001168826165 1092384421 /nfs/dbraw/zinc/38/44/21/1092384421.db2.gz XABWROMBTCSVEX-MCIONIFRSA-N 0 3 320.433 3.441 20 10 DGCDHN COc1ccc(CC[N@@H+]2CCc3cccc([O-])c3C2)cc1OC ZINC001208759945 1092493072 /nfs/dbraw/zinc/49/30/72/1092493072.db2.gz AOCSFTOLMKAQIO-UHFFFAOYSA-N 0 3 313.397 3.010 20 10 DGCDHN COc1ccc(CC[N@H+]2CCc3cccc([O-])c3C2)cc1OC ZINC001208759945 1092493075 /nfs/dbraw/zinc/49/30/75/1092493075.db2.gz AOCSFTOLMKAQIO-UHFFFAOYSA-N 0 3 313.397 3.010 20 10 DGCDHN CC(C)(C)c1cccc(CN2CCN(C3CCC3)CC2)c1O ZINC001143103620 1092615457 /nfs/dbraw/zinc/61/54/57/1092615457.db2.gz HMWLDHAECQPFJH-UHFFFAOYSA-N 0 3 302.462 3.360 20 10 DGCDHN CC(C)(C)c1cccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1O ZINC001143103707 1092615488 /nfs/dbraw/zinc/61/54/88/1092615488.db2.gz JDTGZIQBBQOQNM-KGLIPLIRSA-N 0 3 311.372 3.156 20 10 DGCDHN CC[C@H](C[N@@H+]1CCc2cccc([O-])c2C1)NC(=O)OC(C)(C)C ZINC001209459889 1092782366 /nfs/dbraw/zinc/78/23/66/1092782366.db2.gz CNMPIWJYSIALMT-CQSZACIVSA-N 0 3 320.433 3.054 20 10 DGCDHN CC[C@H](C[N@H+]1CCc2cccc([O-])c2C1)NC(=O)OC(C)(C)C ZINC001209459889 1092782377 /nfs/dbraw/zinc/78/23/77/1092782377.db2.gz CNMPIWJYSIALMT-CQSZACIVSA-N 0 3 320.433 3.054 20 10 DGCDHN CC[N@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1[O-] ZINC001209625965 1092855341 /nfs/dbraw/zinc/85/53/41/1092855341.db2.gz IKSZUONDGMLBGQ-UHFFFAOYSA-N 0 3 311.429 3.410 20 10 DGCDHN CC[N@@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1[O-] ZINC001209625965 1092855346 /nfs/dbraw/zinc/85/53/46/1092855346.db2.gz IKSZUONDGMLBGQ-UHFFFAOYSA-N 0 3 311.429 3.410 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210355461 1093136205 /nfs/dbraw/zinc/13/62/05/1093136205.db2.gz IXXAMOZKJNWRKS-OAHLLOKOSA-N 0 3 316.832 3.062 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001116437818 1095551133 /nfs/dbraw/zinc/55/11/33/1095551133.db2.gz UGRITZIUASOLIU-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)c1[O-] ZINC001116583657 1095606713 /nfs/dbraw/zinc/60/67/13/1095606713.db2.gz NDZMJHLLLGQKAG-KGLIPLIRSA-N 0 3 312.841 3.017 20 10 DGCDHN [O-]c1c(CN2CC[C@@]3(CCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222476634 1095634703 /nfs/dbraw/zinc/63/47/03/1095634703.db2.gz AWFRWHWRGSDKJT-FQEVSTJZSA-N 0 3 308.425 3.387 20 10 DGCDHN Oc1cc(O)c(CN2CCC[C@H]2c2c(F)cccc2F)c(O)c1 ZINC001144515049 1095700060 /nfs/dbraw/zinc/70/00/60/1095700060.db2.gz CODXBNHVRQVUJN-AWEZNQCLSA-N 0 3 321.323 3.419 20 10 DGCDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ncccc1N(C)C ZINC001117633508 1095787048 /nfs/dbraw/zinc/78/70/48/1095787048.db2.gz RZXKSKVKHVRSDY-KGLIPLIRSA-N 0 3 311.429 3.500 20 10 DGCDHN CCOCC[C@H](C)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001172431144 1097138946 /nfs/dbraw/zinc/13/89/46/1097138946.db2.gz LKUFCCBWUODJEA-INIZCTEOSA-N 0 3 306.450 3.022 20 10 DGCDHN COc1ccc(N2CCN([C@@H](C)CCOCC(C)C)CC2)cc1 ZINC001172468883 1097145390 /nfs/dbraw/zinc/14/53/90/1097145390.db2.gz PQEHVTSTTVTCFR-KRWDZBQOSA-N 0 3 320.477 3.268 20 10 DGCDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC001172944349 1097289186 /nfs/dbraw/zinc/28/91/86/1097289186.db2.gz SDGTUWDIXAABCO-ZDUSSCGKSA-N 0 3 308.422 3.127 20 10 DGCDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001173233309 1097377192 /nfs/dbraw/zinc/37/71/92/1097377192.db2.gz VGMGGVVKVMUTQE-ZDUSSCGKSA-N 0 3 312.369 3.290 20 10 DGCDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001173233309 1097377198 /nfs/dbraw/zinc/37/71/98/1097377198.db2.gz VGMGGVVKVMUTQE-ZDUSSCGKSA-N 0 3 312.369 3.290 20 10 DGCDHN CC[C@@H]1CC[N@H+](Cc2c(Br)ccc(OC)c2[O-])C1 ZINC001231555972 1097779346 /nfs/dbraw/zinc/77/93/46/1097779346.db2.gz VWRHDEATECFHAX-SNVBAGLBSA-N 0 3 314.223 3.395 20 10 DGCDHN CC[C@@H]1CC[N@@H+](Cc2c(Br)ccc(OC)c2[O-])C1 ZINC001231555972 1097779352 /nfs/dbraw/zinc/77/93/52/1097779352.db2.gz VWRHDEATECFHAX-SNVBAGLBSA-N 0 3 314.223 3.395 20 10 DGCDHN CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC001231588169 1097785310 /nfs/dbraw/zinc/78/53/10/1097785310.db2.gz SUQYGONDOMGXIS-FQEVSTJZSA-N 0 3 324.424 3.132 20 10 DGCDHN CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC001231588169 1097785315 /nfs/dbraw/zinc/78/53/15/1097785315.db2.gz SUQYGONDOMGXIS-FQEVSTJZSA-N 0 3 324.424 3.132 20 10 DGCDHN COCc1noc2c1CN(Cc1c(O)ccc3ccccc31)CC2 ZINC001231586690 1097785380 /nfs/dbraw/zinc/78/53/80/1097785380.db2.gz FGAMIPPCKARPGM-UHFFFAOYSA-N 0 3 324.380 3.238 20 10 DGCDHN O=C1CCCC2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)N1 ZINC001231587927 1097785804 /nfs/dbraw/zinc/78/58/04/1097785804.db2.gz PKLHGZVDINSEHE-UHFFFAOYSA-N 0 3 324.424 3.180 20 10 DGCDHN Cc1cccc(CN2CCN(c3ccc(F)c(F)c3)CC2)c1O ZINC001231591290 1097786936 /nfs/dbraw/zinc/78/69/36/1097786936.db2.gz ZLNYLWAEZDIDJM-UHFFFAOYSA-N 0 3 318.367 3.301 20 10 DGCDHN CCCOC1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231852835 1097864967 /nfs/dbraw/zinc/86/49/67/1097864967.db2.gz ATACLTZZHOYYAP-UHFFFAOYSA-N 0 3 306.450 3.152 20 10 DGCDHN Cc1cc([O-])c(CN2CCC([N@H+](C)C3CC3)CC2)cc1Cl ZINC001231870126 1097869857 /nfs/dbraw/zinc/86/98/57/1097869857.db2.gz KLGBSIUXVOTRKF-UHFFFAOYSA-N 0 3 308.853 3.413 20 10 DGCDHN Cc1cc([O-])c(CN2CCC([N@@H+](C)C3CC3)CC2)cc1Cl ZINC001231870126 1097869864 /nfs/dbraw/zinc/86/98/64/1097869864.db2.gz KLGBSIUXVOTRKF-UHFFFAOYSA-N 0 3 308.853 3.413 20 10 DGCDHN COC(=O)c1c(CN2CCCCC23CC3)c2ccccc2n1C ZINC001232404849 1098030289 /nfs/dbraw/zinc/03/02/89/1098030289.db2.gz ARCYZUZGKZLHIC-UHFFFAOYSA-N 0 3 312.413 3.483 20 10 DGCDHN CCN(Cc1ccc(C(C)(C)O)nc1)Cc1ccccc1O ZINC001232827396 1098145575 /nfs/dbraw/zinc/14/55/75/1098145575.db2.gz BFODUXZCHIFYAP-UHFFFAOYSA-N 0 3 300.402 3.037 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccc(N(C)C)cc1O ZINC001232840968 1098150595 /nfs/dbraw/zinc/15/05/95/1098150595.db2.gz OQIYMYKEBJBQQZ-UHFFFAOYSA-N 0 3 300.402 3.186 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccc(N(C)C)cc1O ZINC001232840968 1098150598 /nfs/dbraw/zinc/15/05/98/1098150598.db2.gz OQIYMYKEBJBQQZ-UHFFFAOYSA-N 0 3 300.402 3.186 20 10 DGCDHN COC(=O)/C=C/c1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001233299718 1098281132 /nfs/dbraw/zinc/28/11/32/1098281132.db2.gz LKTDLDQULKQLTE-MDZDMXLPSA-N 0 3 323.392 3.137 20 10 DGCDHN COC(=O)/C=C/c1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001233299718 1098281134 /nfs/dbraw/zinc/28/11/34/1098281134.db2.gz LKTDLDQULKQLTE-MDZDMXLPSA-N 0 3 323.392 3.137 20 10 DGCDHN CCN(CC[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418571 1098324180 /nfs/dbraw/zinc/32/41/80/1098324180.db2.gz MFMKWULEDZWMMJ-UHFFFAOYSA-N 0 3 316.367 3.329 20 10 DGCDHN COC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727712 1098416598 /nfs/dbraw/zinc/41/65/98/1098416598.db2.gz OQDCTCLUWYCTJA-LBPRGKRZSA-N 0 3 319.323 3.292 20 10 DGCDHN COC[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727712 1098416601 /nfs/dbraw/zinc/41/66/01/1098416601.db2.gz OQDCTCLUWYCTJA-LBPRGKRZSA-N 0 3 319.323 3.292 20 10 DGCDHN [O-]c1c(C[N@@H+]2CCC[C@@]3(CCO3)C2)cccc1OC(F)(F)F ZINC001233760974 1098425001 /nfs/dbraw/zinc/42/50/01/1098425001.db2.gz NHFRYMGOHDQDNL-CQSZACIVSA-N 0 3 317.307 3.046 20 10 DGCDHN [O-]c1c(C[N@H+]2CCC[C@@]3(CCO3)C2)cccc1OC(F)(F)F ZINC001233760974 1098425003 /nfs/dbraw/zinc/42/50/03/1098425003.db2.gz NHFRYMGOHDQDNL-CQSZACIVSA-N 0 3 317.307 3.046 20 10 DGCDHN CC(C)O[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233768148 1098426796 /nfs/dbraw/zinc/42/67/96/1098426796.db2.gz KZHLSQBGYGIHHB-GFCCVEGCSA-N 0 3 319.323 3.290 20 10 DGCDHN CC(C)O[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233768148 1098426798 /nfs/dbraw/zinc/42/67/98/1098426798.db2.gz KZHLSQBGYGIHHB-GFCCVEGCSA-N 0 3 319.323 3.290 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@]4(CCO4)C3)c2c1 ZINC001234561912 1098600633 /nfs/dbraw/zinc/60/06/33/1098600633.db2.gz FYSMZVDZASCBPO-LJQANCHMSA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@]4(CCO4)C3)c2c1 ZINC001234561912 1098600636 /nfs/dbraw/zinc/60/06/36/1098600636.db2.gz FYSMZVDZASCBPO-LJQANCHMSA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CCCOC3)c2c1 ZINC001234569091 1098604094 /nfs/dbraw/zinc/60/40/94/1098604094.db2.gz JJNNULSMJQOYMJ-CQSZACIVSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CCCOC3)c2c1 ZINC001234569091 1098604097 /nfs/dbraw/zinc/60/40/97/1098604097.db2.gz JJNNULSMJQOYMJ-CQSZACIVSA-N 0 3 301.386 3.165 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H]3CCC(F)(F)C3)cc2)CC1 ZINC001234660091 1098636718 /nfs/dbraw/zinc/63/67/18/1098636718.db2.gz DFHLERKAPXCEEW-INIZCTEOSA-N 0 3 310.388 3.395 20 10 DGCDHN CN1CC[C@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]21 ZINC001234997216 1098740161 /nfs/dbraw/zinc/74/01/61/1098740161.db2.gz VQVNSNPLMMENHW-QFBILLFUSA-N 0 3 308.425 3.195 20 10 DGCDHN CN1CC[C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]21 ZINC001234997216 1098740172 /nfs/dbraw/zinc/74/01/72/1098740172.db2.gz VQVNSNPLMMENHW-QFBILLFUSA-N 0 3 308.425 3.195 20 10 DGCDHN Cc1nc(CC[N@@H+](C)Cc2cccc(-c3ccccc3)c2[O-])no1 ZINC001234997656 1098740780 /nfs/dbraw/zinc/74/07/80/1098740780.db2.gz DDNFKKGKKDLNGT-UHFFFAOYSA-N 0 3 323.396 3.425 20 10 DGCDHN Cc1nc(CC[N@H+](C)Cc2cccc(-c3ccccc3)c2[O-])no1 ZINC001234997656 1098740788 /nfs/dbraw/zinc/74/07/88/1098740788.db2.gz DDNFKKGKKDLNGT-UHFFFAOYSA-N 0 3 323.396 3.425 20 10 DGCDHN CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999025 1098743787 /nfs/dbraw/zinc/74/37/87/1098743787.db2.gz QBZPIMYAEHUOMN-GOSISDBHSA-N 0 3 324.424 3.112 20 10 DGCDHN CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999025 1098743795 /nfs/dbraw/zinc/74/37/95/1098743795.db2.gz QBZPIMYAEHUOMN-GOSISDBHSA-N 0 3 324.424 3.112 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1Cl ZINC001235051843 1098775563 /nfs/dbraw/zinc/77/55/63/1098775563.db2.gz ATNGGAKACNRCDB-LSDHHAIUSA-N 0 3 308.853 3.279 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1Cl ZINC001235081062 1098788727 /nfs/dbraw/zinc/78/87/27/1098788727.db2.gz ATNGGAKACNRCDB-HUUCEWRRSA-N 0 3 308.853 3.279 20 10 DGCDHN COc1cc([O-])c(CN2CCCC[C@]23CCC[NH2+]C3)cc1Cl ZINC001235177331 1098859325 /nfs/dbraw/zinc/85/93/25/1098859325.db2.gz IFQSVYFUQZBMFO-QGZVFWFLSA-N 0 3 324.852 3.162 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]3CC[NH2+][C@@H]3C2)cc1Cl ZINC001235187367 1098865564 /nfs/dbraw/zinc/86/55/64/1098865564.db2.gz WFERIQAJZZSLAU-XHDPSFHLSA-N 0 3 308.853 3.137 20 10 DGCDHN CCC[C@@H](CNCc1cc(F)c(N(C)C)cc1F)OCC ZINC001179247741 1099045459 /nfs/dbraw/zinc/04/54/59/1099045459.db2.gz KHXOMISCKTYURU-ZDUSSCGKSA-N 0 3 300.393 3.326 20 10 DGCDHN C[NH2+]CC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001235679814 1099122665 /nfs/dbraw/zinc/12/26/65/1099122665.db2.gz OBIHZXDEKVQNMM-UHFFFAOYSA-N 0 3 303.233 3.130 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c([O-])c1 ZINC001235678504 1099122883 /nfs/dbraw/zinc/12/28/83/1099122883.db2.gz CADDWOCNWFCMPC-INIZCTEOSA-N 0 3 314.433 3.118 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c([O-])c1 ZINC001235678504 1099122885 /nfs/dbraw/zinc/12/28/85/1099122885.db2.gz CADDWOCNWFCMPC-INIZCTEOSA-N 0 3 314.433 3.118 20 10 DGCDHN CC[N@H+](CCn1ccnc1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235681498 1099123857 /nfs/dbraw/zinc/12/38/57/1099123857.db2.gz MNURXOQZMRAHOV-UHFFFAOYSA-N 0 3 301.434 3.408 20 10 DGCDHN CC[N@@H+](CCn1ccnc1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235681498 1099123863 /nfs/dbraw/zinc/12/38/63/1099123863.db2.gz MNURXOQZMRAHOV-UHFFFAOYSA-N 0 3 301.434 3.408 20 10 DGCDHN [O-]c1cccc(F)c1C[N@@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235789095 1099179886 /nfs/dbraw/zinc/17/98/86/1099179886.db2.gz CFRZQFOFOOQFCW-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN [O-]c1cccc(F)c1C[N@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235789095 1099179888 /nfs/dbraw/zinc/17/98/88/1099179888.db2.gz CFRZQFOFOOQFCW-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN CCC[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC001180429534 1099403104 /nfs/dbraw/zinc/40/31/04/1099403104.db2.gz CLLLVBQQDWXBQU-IRXDYDNUSA-N 0 3 307.434 3.188 20 10 DGCDHN CCC[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC001180429534 1099403108 /nfs/dbraw/zinc/40/31/08/1099403108.db2.gz CLLLVBQQDWXBQU-IRXDYDNUSA-N 0 3 307.434 3.188 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC001236127107 1099415525 /nfs/dbraw/zinc/41/55/25/1099415525.db2.gz YMIIISGLJUGWHX-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN CCC[N@H+](Cc1cc(F)c(Cl)cc1[O-])C1CCNCC1 ZINC001236185166 1099455323 /nfs/dbraw/zinc/45/53/23/1099455323.db2.gz YUYGQHJKVRBELG-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN CCC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C1CCNCC1 ZINC001236185166 1099455329 /nfs/dbraw/zinc/45/53/29/1099455329.db2.gz YUYGQHJKVRBELG-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN CN(Cc1cc(Cl)c(Cl)cc1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215022 1099471807 /nfs/dbraw/zinc/47/18/07/1099471807.db2.gz GZMPWERFYQSJSR-QWHCGFSZSA-N 0 3 303.233 3.401 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c([O-])c1 ZINC001180635192 1099479442 /nfs/dbraw/zinc/47/94/42/1099479442.db2.gz WYGXQDZWSGYCQM-IAGOWNOFSA-N 0 3 307.434 3.391 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCc3ccc(N)cc3C2)cc1Cl ZINC001236232095 1099486026 /nfs/dbraw/zinc/48/60/26/1099486026.db2.gz MCYMWKQLBNFPHZ-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCc3ccc(N)cc3C2)cc1Cl ZINC001236232095 1099486031 /nfs/dbraw/zinc/48/60/31/1099486031.db2.gz MCYMWKQLBNFPHZ-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCc3c(N)cccc3C2)cc1Cl ZINC001236365692 1099555980 /nfs/dbraw/zinc/55/59/80/1099555980.db2.gz RLTVNAAPTWKTRG-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCc3c(N)cccc3C2)cc1Cl ZINC001236365692 1099555992 /nfs/dbraw/zinc/55/59/92/1099555992.db2.gz RLTVNAAPTWKTRG-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN CC(C)(C)C[N@H+](Cc1cc(F)c(F)cc1[O-])C1CCNCC1 ZINC001236457139 1099620575 /nfs/dbraw/zinc/62/05/75/1099620575.db2.gz JMHQKSDRMKTKLS-UHFFFAOYSA-N 0 3 312.404 3.271 20 10 DGCDHN CC(C)(C)C[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CCNCC1 ZINC001236457139 1099620578 /nfs/dbraw/zinc/62/05/78/1099620578.db2.gz JMHQKSDRMKTKLS-UHFFFAOYSA-N 0 3 312.404 3.271 20 10 DGCDHN Cc1cc([O-])c(C[N@H+](C2CCC2)C2CCNCC2)cc1Cl ZINC001236636416 1099715086 /nfs/dbraw/zinc/71/50/86/1099715086.db2.gz GABDXYLLMMZARF-UHFFFAOYSA-N 0 3 308.853 3.461 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+](C2CCC2)C2CCNCC2)cc1Cl ZINC001236636416 1099715096 /nfs/dbraw/zinc/71/50/96/1099715096.db2.gz GABDXYLLMMZARF-UHFFFAOYSA-N 0 3 308.853 3.461 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653716 1099724866 /nfs/dbraw/zinc/72/48/66/1099724866.db2.gz MINNMYCRGGCXEK-CQSZACIVSA-N 0 3 310.388 3.167 20 10 DGCDHN COc1cc(C[N@H+](C)CC2CC2)c([O-])cc1Br ZINC001236744908 1099770030 /nfs/dbraw/zinc/77/00/30/1099770030.db2.gz IRYOTAGCVVRIMJ-UHFFFAOYSA-N 0 3 300.196 3.005 20 10 DGCDHN COc1cc(C[N@@H+](C)CC2CC2)c([O-])cc1Br ZINC001236744908 1099770035 /nfs/dbraw/zinc/77/00/35/1099770035.db2.gz IRYOTAGCVVRIMJ-UHFFFAOYSA-N 0 3 300.196 3.005 20 10 DGCDHN COC[C@H]1CCN1Cc1cc(OCc2ccccc2)ccc1O ZINC001236782050 1099780482 /nfs/dbraw/zinc/78/04/82/1099780482.db2.gz IHYWAICAYITASJ-QGZVFWFLSA-N 0 3 313.397 3.192 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(CC)cc2[O-])C[C@@H]1C ZINC001236786865 1099783058 /nfs/dbraw/zinc/78/30/58/1099783058.db2.gz FAWRIPOIGATPCJ-GOEBONIOSA-N 0 3 319.445 3.366 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(CC)cc2[O-])C[C@@H]1C ZINC001236786865 1099783060 /nfs/dbraw/zinc/78/30/60/1099783060.db2.gz FAWRIPOIGATPCJ-GOEBONIOSA-N 0 3 319.445 3.366 20 10 DGCDHN CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236786290 1099783448 /nfs/dbraw/zinc/78/34/48/1099783448.db2.gz AEKCZRGDVCNNHJ-INIZCTEOSA-N 0 3 305.418 3.120 20 10 DGCDHN CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236786290 1099783454 /nfs/dbraw/zinc/78/34/54/1099783454.db2.gz AEKCZRGDVCNNHJ-INIZCTEOSA-N 0 3 305.418 3.120 20 10 DGCDHN CC[N@H+](CCCN(C)C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236803880 1099797934 /nfs/dbraw/zinc/79/79/34/1099797934.db2.gz QBHIPVPBXWNGCJ-UHFFFAOYSA-N 0 3 305.249 3.473 20 10 DGCDHN CC[N@@H+](CCCN(C)C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236803880 1099797940 /nfs/dbraw/zinc/79/79/40/1099797940.db2.gz QBHIPVPBXWNGCJ-UHFFFAOYSA-N 0 3 305.249 3.473 20 10 DGCDHN COc1ccc2c(c1)CCN(Cc1c(C)cc(OC)cc1O)C2 ZINC001236818487 1099805057 /nfs/dbraw/zinc/80/50/57/1099805057.db2.gz NLGVKPOZOSAQBY-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001236827902 1099810565 /nfs/dbraw/zinc/81/05/65/1099810565.db2.gz WDWDVIMWUJPNOL-SFHVURJKSA-N 0 3 303.377 3.232 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001236827902 1099810579 /nfs/dbraw/zinc/81/05/79/1099810579.db2.gz WDWDVIMWUJPNOL-SFHVURJKSA-N 0 3 303.377 3.232 20 10 DGCDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830785 1099818593 /nfs/dbraw/zinc/81/85/93/1099818593.db2.gz CONONIWTOBALCI-GUYCJALGSA-N 0 3 313.397 3.176 20 10 DGCDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830785 1099818604 /nfs/dbraw/zinc/81/86/04/1099818604.db2.gz CONONIWTOBALCI-GUYCJALGSA-N 0 3 313.397 3.176 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC001236838800 1099823844 /nfs/dbraw/zinc/82/38/44/1099823844.db2.gz GERAJCWXSGDSDM-UHFFFAOYSA-N 0 3 319.408 3.263 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2CCNC[C@@H]2C(F)(F)F)c1 ZINC001236980544 1099901691 /nfs/dbraw/zinc/90/16/91/1099901691.db2.gz IKXWXEIKKLPTFM-CQSZACIVSA-N 0 3 316.367 3.026 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c([O-])c1 ZINC001237040118 1099938213 /nfs/dbraw/zinc/93/82/13/1099938213.db2.gz DTJMFQBSIKZBFW-SKDZVZGDSA-N 0 3 305.418 3.038 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c([O-])c1 ZINC001237040118 1099938225 /nfs/dbraw/zinc/93/82/25/1099938225.db2.gz DTJMFQBSIKZBFW-SKDZVZGDSA-N 0 3 305.418 3.038 20 10 DGCDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049480 1099945084 /nfs/dbraw/zinc/94/50/84/1099945084.db2.gz PSUGHJBIWQGBIE-CJNGLKHVSA-N 0 3 305.418 3.147 20 10 DGCDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049480 1099945099 /nfs/dbraw/zinc/94/50/99/1099945099.db2.gz PSUGHJBIWQGBIE-CJNGLKHVSA-N 0 3 305.418 3.147 20 10 DGCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049482 1099945353 /nfs/dbraw/zinc/94/53/53/1099945353.db2.gz PSUGHJBIWQGBIE-CZUORRHYSA-N 0 3 305.418 3.147 20 10 DGCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049482 1099945363 /nfs/dbraw/zinc/94/53/63/1099945363.db2.gz PSUGHJBIWQGBIE-CZUORRHYSA-N 0 3 305.418 3.147 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c([O-])c1 ZINC001237050038 1099945717 /nfs/dbraw/zinc/94/57/17/1099945717.db2.gz WBDRDDPMQLVKOQ-UHFFFAOYSA-N 0 3 306.425 3.134 20 10 DGCDHN CSCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237061218 1099953264 /nfs/dbraw/zinc/95/32/64/1099953264.db2.gz HQCWQTOMKAWJSW-UHFFFAOYSA-N 0 3 309.353 3.128 20 10 DGCDHN CSCC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237061218 1099953257 /nfs/dbraw/zinc/95/32/57/1099953257.db2.gz HQCWQTOMKAWJSW-UHFFFAOYSA-N 0 3 309.353 3.128 20 10 DGCDHN C[C@@]1(O)CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237119571 1099980312 /nfs/dbraw/zinc/98/03/12/1099980312.db2.gz IXNIWVPZNQUHAN-CQSZACIVSA-N 0 3 319.323 3.028 20 10 DGCDHN C[C@@]1(O)CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237119571 1099980318 /nfs/dbraw/zinc/98/03/18/1099980318.db2.gz IXNIWVPZNQUHAN-CQSZACIVSA-N 0 3 319.323 3.028 20 10 DGCDHN C[C@@]1(O)CCCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237119571 1099980323 /nfs/dbraw/zinc/98/03/23/1099980323.db2.gz IXNIWVPZNQUHAN-CQSZACIVSA-N 0 3 319.323 3.028 20 10 DGCDHN CCC[N@H+](CCOC)Cc1c([O-])cccc1OC(F)(F)F ZINC001237120787 1099981147 /nfs/dbraw/zinc/98/11/47/1099981147.db2.gz RZZOZRVMWUWBCU-UHFFFAOYSA-N 0 3 307.312 3.149 20 10 DGCDHN CCC[N@@H+](CCOC)Cc1c([O-])cccc1OC(F)(F)F ZINC001237120787 1099981159 /nfs/dbraw/zinc/98/11/59/1099981159.db2.gz RZZOZRVMWUWBCU-UHFFFAOYSA-N 0 3 307.312 3.149 20 10 DGCDHN CC1(C)[C@@H]2C[N@@H+](Cc3c([O-])cccc3OC(F)(F)F)C[C@@H]21 ZINC001237124031 1099981511 /nfs/dbraw/zinc/98/15/11/1099981511.db2.gz XEXRQLJXYLHHQO-PHIMTYICSA-N 0 3 301.308 3.379 20 10 DGCDHN CC1(C)[C@@H]2C[N@H+](Cc3c([O-])cccc3OC(F)(F)F)C[C@@H]21 ZINC001237124031 1099981523 /nfs/dbraw/zinc/98/15/23/1099981523.db2.gz XEXRQLJXYLHHQO-PHIMTYICSA-N 0 3 301.308 3.379 20 10 DGCDHN CC[N@H+](Cc1c([O-])ccc(F)c1Cl)C1CCN(C)CC1 ZINC001237125733 1099983933 /nfs/dbraw/zinc/98/39/33/1099983933.db2.gz VACNPIWFTXTGSU-UHFFFAOYSA-N 0 3 300.805 3.101 20 10 DGCDHN CC[N@@H+](Cc1c([O-])ccc(F)c1Cl)C1CCN(C)CC1 ZINC001237125733 1099983937 /nfs/dbraw/zinc/98/39/37/1099983937.db2.gz VACNPIWFTXTGSU-UHFFFAOYSA-N 0 3 300.805 3.101 20 10 DGCDHN Oc1cccc(OC(F)(F)F)c1CN1CCC[C@H](CF)C1 ZINC001237124329 1099984357 /nfs/dbraw/zinc/98/43/57/1099984357.db2.gz ZMKBJRJWXCGOGO-SNVBAGLBSA-N 0 3 307.287 3.472 20 10 DGCDHN Oc1ccc(F)c(Cl)c1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237131986 1099985863 /nfs/dbraw/zinc/98/58/63/1099985863.db2.gz ZXSMMENZAWEFCK-CYBMUJFWSA-N 0 3 321.726 3.185 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@H]1O ZINC001237138691 1099989668 /nfs/dbraw/zinc/98/96/68/1099989668.db2.gz XXLLJDWBHNAHDK-GXFFZTMASA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@H]1O ZINC001237138691 1099989671 /nfs/dbraw/zinc/98/96/71/1099989671.db2.gz XXLLJDWBHNAHDK-GXFFZTMASA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@H]1O ZINC001237138697 1099990669 /nfs/dbraw/zinc/99/06/69/1099990669.db2.gz XXLLJDWBHNAHDK-ZWNOBZJWSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@H]1O ZINC001237138697 1099990673 /nfs/dbraw/zinc/99/06/73/1099990673.db2.gz XXLLJDWBHNAHDK-ZWNOBZJWSA-N 0 3 303.324 3.004 20 10 DGCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@H]1CCCCO1 ZINC001237140091 1099990980 /nfs/dbraw/zinc/99/09/80/1099990980.db2.gz UOAGSQLDCYZNQH-CYBMUJFWSA-N 0 3 303.324 3.412 20 10 DGCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@H]1CCCCO1 ZINC001237140091 1099990989 /nfs/dbraw/zinc/99/09/89/1099990989.db2.gz UOAGSQLDCYZNQH-CYBMUJFWSA-N 0 3 303.324 3.412 20 10 DGCDHN OC[C@@]1(F)CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237642026 1100199275 /nfs/dbraw/zinc/19/92/75/1100199275.db2.gz XGLIWMMOCCERQS-GOSISDBHSA-N 0 3 319.351 3.105 20 10 DGCDHN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237642000 1100199439 /nfs/dbraw/zinc/19/94/39/1100199439.db2.gz WYWRGYMEHKIBAF-CJNGLKHVSA-N 0 3 315.388 3.401 20 10 DGCDHN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237642000 1100199444 /nfs/dbraw/zinc/19/94/44/1100199444.db2.gz WYWRGYMEHKIBAF-CJNGLKHVSA-N 0 3 315.388 3.401 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237640991 1100199700 /nfs/dbraw/zinc/19/97/00/1100199700.db2.gz JPTBDTXCJIPLNI-SJLPKXTDSA-N 0 3 319.351 3.103 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237640991 1100199704 /nfs/dbraw/zinc/19/97/04/1100199704.db2.gz JPTBDTXCJIPLNI-SJLPKXTDSA-N 0 3 319.351 3.103 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCC[C@H]1CO ZINC001237640948 1100199958 /nfs/dbraw/zinc/19/99/58/1100199958.db2.gz IKZLLXAZCQRZCJ-KRWDZBQOSA-N 0 3 301.361 3.155 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCC[C@H]1CO ZINC001237640948 1100199966 /nfs/dbraw/zinc/19/99/66/1100199966.db2.gz IKZLLXAZCQRZCJ-KRWDZBQOSA-N 0 3 301.361 3.155 20 10 DGCDHN COC(=O)CC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237678328 1100212767 /nfs/dbraw/zinc/21/27/67/1100212767.db2.gz AGPRQORJYPHEIO-UHFFFAOYSA-N 0 3 311.809 3.129 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])[C@@H]1C ZINC001237687148 1100214312 /nfs/dbraw/zinc/21/43/12/1100214312.db2.gz RMYPSTUCOQRNHI-RISCZKNCSA-N 0 3 311.809 3.128 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])[C@@H]1C ZINC001237687148 1100214316 /nfs/dbraw/zinc/21/43/16/1100214316.db2.gz RMYPSTUCOQRNHI-RISCZKNCSA-N 0 3 311.809 3.128 20 10 DGCDHN Cc1cc(Cl)cc(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c1[O-] ZINC001237684317 1100214708 /nfs/dbraw/zinc/21/47/08/1100214708.db2.gz KEOHEEOFCRNLHN-UHFFFAOYSA-N 0 3 320.864 3.272 20 10 DGCDHN Cc1cc(Cl)cc(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)c1[O-] ZINC001237684317 1100214716 /nfs/dbraw/zinc/21/47/16/1100214716.db2.gz KEOHEEOFCRNLHN-UHFFFAOYSA-N 0 3 320.864 3.272 20 10 DGCDHN Cc1cc(F)cc(CN2CCCC[C@@](O)(C(F)(F)F)C2)c1O ZINC001238059545 1100346319 /nfs/dbraw/zinc/34/63/19/1100346319.db2.gz DOQRRHHWLZFVAF-AWEZNQCLSA-N 0 3 321.314 3.119 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238063889 1100348606 /nfs/dbraw/zinc/34/86/06/1100348606.db2.gz MQLPDGVORNMVKS-SFHVURJKSA-N 0 3 323.408 3.395 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238063889 1100348615 /nfs/dbraw/zinc/34/86/15/1100348615.db2.gz MQLPDGVORNMVKS-SFHVURJKSA-N 0 3 323.408 3.395 20 10 DGCDHN CO[C@@H]1CC[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887130 1101414884 /nfs/dbraw/zinc/41/48/84/1101414884.db2.gz FWACKQCCARECAJ-IINYFYTJSA-N 0 3 311.809 3.248 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(F)cc1F ZINC001197004411 1101454180 /nfs/dbraw/zinc/45/41/80/1101454180.db2.gz QVWBZTPJYPNPIB-QWRGUYRKSA-N 0 3 320.339 3.348 20 10 DGCDHN CN1CCC=C(c2ncnc3c2ccn3Cc2ccccc2F)C1 ZINC001241565895 1101550410 /nfs/dbraw/zinc/55/04/10/1101550410.db2.gz PHMBREVFXVNSTF-UHFFFAOYSA-N 0 3 322.387 3.338 20 10 DGCDHN c1csc(-c2n[nH]cc2CNCc2ccc3c(c2)CCO3)c1 ZINC001199934290 1102253815 /nfs/dbraw/zinc/25/38/15/1102253815.db2.gz SBQRWROKVABFNE-UHFFFAOYSA-N 0 3 311.410 3.363 20 10 DGCDHN CN(C)c1cc(F)c(CNCC2(C(F)(F)F)CC2)cc1F ZINC001328783035 1104068439 /nfs/dbraw/zinc/06/84/39/1104068439.db2.gz JKJFRVPQBAZQKM-UHFFFAOYSA-N 0 3 308.294 3.463 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+](C)Cc2cccc(C)c2)c([O-])c1 ZINC001249172170 1105238905 /nfs/dbraw/zinc/23/89/05/1105238905.db2.gz JNPZQSVMQUFYQU-UHFFFAOYSA-N 0 3 313.397 3.048 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+](C)Cc2cccc(C)c2)c([O-])c1 ZINC001249172170 1105238910 /nfs/dbraw/zinc/23/89/10/1105238910.db2.gz JNPZQSVMQUFYQU-UHFFFAOYSA-N 0 3 313.397 3.048 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001249208534 1105247857 /nfs/dbraw/zinc/24/78/57/1105247857.db2.gz UZLBHLGGPIHPRZ-RDJZCZTQSA-N 0 3 317.429 3.262 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001249208534 1105247860 /nfs/dbraw/zinc/24/78/60/1105247860.db2.gz UZLBHLGGPIHPRZ-RDJZCZTQSA-N 0 3 317.429 3.262 20 10 DGCDHN CO[C@@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223660 1105249931 /nfs/dbraw/zinc/24/99/31/1105249931.db2.gz LOTGXJWGNJNURQ-CQSZACIVSA-N 0 3 303.402 3.187 20 10 DGCDHN CO[C@@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223660 1105249935 /nfs/dbraw/zinc/24/99/35/1105249935.db2.gz LOTGXJWGNJNURQ-CQSZACIVSA-N 0 3 303.402 3.187 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(COC4)CC3)ccc2O1 ZINC001249224204 1105249956 /nfs/dbraw/zinc/24/99/56/1105249956.db2.gz UPGPPVAJAJLFIH-UHFFFAOYSA-N 0 3 315.413 3.189 20 10 DGCDHN COC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224248 1105250050 /nfs/dbraw/zinc/25/00/50/1105250050.db2.gz WEHOOIJMPMEWEO-CQSZACIVSA-N 0 3 303.402 3.187 20 10 DGCDHN COC[C@H]1CCC[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224248 1105250057 /nfs/dbraw/zinc/25/00/57/1105250057.db2.gz WEHOOIJMPMEWEO-CQSZACIVSA-N 0 3 303.402 3.187 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C)c([O-])c1 ZINC001249726974 1105366795 /nfs/dbraw/zinc/36/67/95/1105366795.db2.gz XHWSEMGHHHVFBI-AWEZNQCLSA-N 0 3 321.417 3.099 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CCC[C@@H]2C)c([O-])c1 ZINC001249726974 1105366800 /nfs/dbraw/zinc/36/68/00/1105366800.db2.gz XHWSEMGHHHVFBI-AWEZNQCLSA-N 0 3 321.417 3.099 20 10 DGCDHN Cc1cc(C[N@@H+](C)[C@H]2CCCOC2)c([O-])cc1Br ZINC001250136572 1105451092 /nfs/dbraw/zinc/45/10/92/1105451092.db2.gz UYPVCSZOJFSVBC-LBPRGKRZSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc(C)c(CN(C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC001137327744 1105487128 /nfs/dbraw/zinc/48/71/28/1105487128.db2.gz DXCVEWIXXOHLAT-UHFFFAOYSA-N 0 3 313.445 3.100 20 10 DGCDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])cc2c1OCC=C2 ZINC001250512022 1105527903 /nfs/dbraw/zinc/52/79/03/1105527903.db2.gz MBKCVZPDEWUVQG-UHFFFAOYSA-N 0 3 311.381 3.438 20 10 DGCDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])cc2c1OCC=C2 ZINC001250512022 1105527908 /nfs/dbraw/zinc/52/79/08/1105527908.db2.gz MBKCVZPDEWUVQG-UHFFFAOYSA-N 0 3 311.381 3.438 20 10 DGCDHN COc1cc(CN(C)Cc2ccccc2O)cc(F)c1OC ZINC001137509254 1105532967 /nfs/dbraw/zinc/53/29/67/1105532967.db2.gz DUYCYHUQQZGOKJ-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN C[N@@H+]1CCC[C@@]2(CCCN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276379921 1105535403 /nfs/dbraw/zinc/53/54/03/1105535403.db2.gz BMGIJPROFGINNH-QGZVFWFLSA-N 0 3 308.853 3.353 20 10 DGCDHN C[N@H+]1CCC[C@@]2(CCCN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276379921 1105535409 /nfs/dbraw/zinc/53/54/09/1105535409.db2.gz BMGIJPROFGINNH-QGZVFWFLSA-N 0 3 308.853 3.353 20 10 DGCDHN CCCCC[C@H](O)CN1CCN(c2ccc(OCC)cc2)CC1 ZINC001253542967 1105955365 /nfs/dbraw/zinc/95/53/65/1105955365.db2.gz VKHLWGYBAHAFJD-SFHVURJKSA-N 0 3 320.477 3.149 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@@H]1Cc2ccc(Br)cc2C1 ZINC001254265759 1106045567 /nfs/dbraw/zinc/04/55/67/1106045567.db2.gz ZLTINWQEVQBZLG-OAHLLOKOSA-N 0 3 318.214 3.412 20 10 DGCDHN Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cnn1C ZINC001254720970 1106135867 /nfs/dbraw/zinc/13/58/67/1106135867.db2.gz DVZUUCSGHONERI-PKFCDNJMSA-N 0 3 303.381 3.472 20 10 DGCDHN C[C@@H](CC(F)(F)F)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001255658035 1106287738 /nfs/dbraw/zinc/28/77/38/1106287738.db2.gz NMXPTFAYGPJMOF-ZDUSSCGKSA-N 0 3 316.367 3.296 20 10 DGCDHN COc1cccc2c1CC[C@@H]([N@@H+]1CCc3cccc([O-])c3C1)C2 ZINC001256655590 1106464398 /nfs/dbraw/zinc/46/43/98/1106464398.db2.gz YQRFJBCHEHKCRJ-MRXNPFEDSA-N 0 3 309.409 3.316 20 10 DGCDHN COc1cccc2c1CC[C@@H]([N@H+]1CCc3cccc([O-])c3C1)C2 ZINC001256655590 1106464400 /nfs/dbraw/zinc/46/44/00/1106464400.db2.gz YQRFJBCHEHKCRJ-MRXNPFEDSA-N 0 3 309.409 3.316 20 10 DGCDHN CN1CCC(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256935980 1106513923 /nfs/dbraw/zinc/51/39/23/1106513923.db2.gz WSWPTJXMGSRRPW-UHFFFAOYSA-N 0 3 308.385 3.337 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c([O-])c1 ZINC001474744221 1106774397 /nfs/dbraw/zinc/77/43/97/1106774397.db2.gz DEXGQORUYPXGBH-CYBMUJFWSA-N 0 3 318.442 3.230 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@H](Cc3nccs3)C2)c([O-])c1 ZINC001474744221 1106774412 /nfs/dbraw/zinc/77/44/12/1106774412.db2.gz DEXGQORUYPXGBH-CYBMUJFWSA-N 0 3 318.442 3.230 20 10 DGCDHN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC000383345528 1108185609 /nfs/dbraw/zinc/18/56/09/1108185609.db2.gz XZZBFSGBNQBPOD-PWSUYJOCSA-N 0 3 315.244 3.083 20 10 DGCDHN C[N@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC000383345528 1108185619 /nfs/dbraw/zinc/18/56/19/1108185619.db2.gz XZZBFSGBNQBPOD-PWSUYJOCSA-N 0 3 315.244 3.083 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(-c3cc[nH]n3)o2)c1 ZINC001308449750 1111430343 /nfs/dbraw/zinc/43/03/43/1111430343.db2.gz AXZICBQALXYJMT-NSHDSACASA-N 0 3 313.357 3.235 20 10 DGCDHN CC[C@@](C)(C(=O)OC)N(Cc1ccc(C)cc1O)CC1CC1 ZINC001621403114 1193838204 /nfs/dbraw/zinc/83/82/04/1193838204.db2.gz QDUZDPWZKVBUAY-SFHVURJKSA-N 0 3 305.418 3.254 20 10 DGCDHN c1coc([C@@H](CNCc2ccc3c(c2)CCO3)N2CCCC2)c1 ZINC000079249360 185162331 /nfs/dbraw/zinc/16/23/31/185162331.db2.gz JENBQDNMPLRKRR-QGZVFWFLSA-N 0 3 312.413 3.141 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000183312543 529659061 /nfs/dbraw/zinc/65/90/61/529659061.db2.gz PTHJQGAVALXIJF-DLBZAZTESA-N 0 3 310.397 3.238 20 10 DGCDHN C[C@@H](c1cccnc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000179196236 432049645 /nfs/dbraw/zinc/04/96/45/432049645.db2.gz NFTBQXSZZOLUBB-INIZCTEOSA-N 0 3 311.429 3.111 20 10 DGCDHN COc1cc(O)c(CN2CCC(C(F)(F)F)CC2)cc1OC ZINC000179445499 432057910 /nfs/dbraw/zinc/05/79/10/432057910.db2.gz FNFMPLJGIKGJOO-UHFFFAOYSA-N 0 3 319.323 3.184 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@@H](C(C)C)N2CCCC2)c1[O-] ZINC000236935224 202079353 /nfs/dbraw/zinc/07/93/53/202079353.db2.gz JWMQMXWIKOUTPA-INIZCTEOSA-N 0 3 306.450 3.001 20 10 DGCDHN CN1CCC(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000133998405 432072332 /nfs/dbraw/zinc/07/23/32/432072332.db2.gz MACQXXBIFOCHCW-UHFFFAOYSA-N 0 3 317.260 3.473 20 10 DGCDHN CN1CCC(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000133998405 432072333 /nfs/dbraw/zinc/07/23/33/432072333.db2.gz MACQXXBIFOCHCW-UHFFFAOYSA-N 0 3 317.260 3.473 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(N(C)C)nc2)cc1 ZINC000268742018 432128903 /nfs/dbraw/zinc/12/89/03/432128903.db2.gz DGDIIHNNSBBYHX-HNNXBMFYSA-N 0 3 312.461 3.455 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000268981700 432148579 /nfs/dbraw/zinc/14/85/79/432148579.db2.gz QWTABCGXQQLVNJ-HNNXBMFYSA-N 0 3 305.418 3.372 20 10 DGCDHN Cc1noc([C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)n1 ZINC000060126768 184144466 /nfs/dbraw/zinc/14/44/66/184144466.db2.gz QGBZMMUKBCDERH-CQSZACIVSA-N 0 3 301.390 3.080 20 10 DGCDHN Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)n1 ZINC000060126768 184144467 /nfs/dbraw/zinc/14/44/67/184144467.db2.gz QGBZMMUKBCDERH-CQSZACIVSA-N 0 3 301.390 3.080 20 10 DGCDHN COc1cccc(CN2CC[C@H](Oc3cccc(F)c3)C2)c1O ZINC000183212047 533483500 /nfs/dbraw/zinc/48/35/00/533483500.db2.gz GTRQSQRMHLODAT-INIZCTEOSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1[O-] ZINC000183212047 533483506 /nfs/dbraw/zinc/48/35/06/533483506.db2.gz GTRQSQRMHLODAT-INIZCTEOSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1[O-] ZINC000183212047 533483511 /nfs/dbraw/zinc/48/35/11/533483511.db2.gz GTRQSQRMHLODAT-INIZCTEOSA-N 0 3 317.360 3.193 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)c1[O-] ZINC000272370594 130024925 /nfs/dbraw/zinc/02/49/25/130024925.db2.gz BNWFXNZRIGWSIQ-KSSFIOAISA-N 0 3 321.417 3.002 20 10 DGCDHN CN(C)c1ccc(CN(Cc2ccc(CO)cc2)C2CC2)cc1 ZINC000272382382 130025281 /nfs/dbraw/zinc/02/52/81/130025281.db2.gz WHUCAPYNKOFBSM-UHFFFAOYSA-N 0 3 310.441 3.410 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000272462640 130032847 /nfs/dbraw/zinc/03/28/47/130032847.db2.gz QVCFHYSKTQOKRM-GFCCVEGCSA-N 0 3 317.364 3.171 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000272462640 130032849 /nfs/dbraw/zinc/03/28/49/130032849.db2.gz QVCFHYSKTQOKRM-GFCCVEGCSA-N 0 3 317.364 3.171 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000273703668 130157026 /nfs/dbraw/zinc/15/70/26/130157026.db2.gz DYSQKDMQERFQCJ-CVEARBPZSA-N 0 3 311.809 3.101 20 10 DGCDHN CCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])CC(C)(C)O ZINC000273755810 130161903 /nfs/dbraw/zinc/16/19/03/130161903.db2.gz ODISJKAAJHGMTJ-UHFFFAOYSA-N 0 3 301.814 3.037 20 10 DGCDHN CCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])CC(C)(C)O ZINC000273755810 130161904 /nfs/dbraw/zinc/16/19/04/130161904.db2.gz ODISJKAAJHGMTJ-UHFFFAOYSA-N 0 3 301.814 3.037 20 10 DGCDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000274197504 130215008 /nfs/dbraw/zinc/21/50/08/130215008.db2.gz KXONOWXSYRSDFS-WQANXHIZSA-N 0 3 318.461 3.130 20 10 DGCDHN COc1ccc([C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])cc1 ZINC000284113303 131050273 /nfs/dbraw/zinc/05/02/73/131050273.db2.gz NLTAPMWYVQCQRN-KDOFPFPSSA-N 0 3 315.413 3.402 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccnc(OC(F)F)c2)c1 ZINC000284282518 131066939 /nfs/dbraw/zinc/06/69/39/131066939.db2.gz HQFQILXOWRQLPS-SNVBAGLBSA-N 0 3 324.327 3.248 20 10 DGCDHN COc1cc(O)c(CN2CCC=C(c3ccco3)C2)cc1OC ZINC000284955910 131126772 /nfs/dbraw/zinc/12/67/72/131126772.db2.gz BQXDKEPQWUEDEP-UHFFFAOYSA-N 0 3 315.369 3.292 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000284975041 131127003 /nfs/dbraw/zinc/12/70/03/131127003.db2.gz FWEVTFBMXSXRGN-PBHICJAKSA-N 0 3 317.404 3.402 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC000285021602 131132147 /nfs/dbraw/zinc/13/21/47/131132147.db2.gz KAEVDTDHNOWZMU-FUHWJXTLSA-N 0 3 305.418 3.324 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC000285021602 131132149 /nfs/dbraw/zinc/13/21/49/131132149.db2.gz KAEVDTDHNOWZMU-FUHWJXTLSA-N 0 3 305.418 3.324 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCOc2ncccc2F)c([O-])c1 ZINC000285363923 131160820 /nfs/dbraw/zinc/16/08/20/131160820.db2.gz VSZQXSKDVMQRNZ-ZDUSSCGKSA-N 0 3 304.365 3.273 20 10 DGCDHN COC(=O)Nc1cccc(C[NH2+]Cc2cc(C)c(C)cc2[O-])c1 ZINC000285517535 131176459 /nfs/dbraw/zinc/17/64/59/131176459.db2.gz OASMPWTYAPVZNS-UHFFFAOYSA-N 0 3 314.385 3.477 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)c1ccccc1 ZINC000288547145 131329975 /nfs/dbraw/zinc/32/99/75/131329975.db2.gz LFUYYPRMTYRPCV-ACJLOTCBSA-N 0 3 302.393 3.103 20 10 DGCDHN Cc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc(N2CCCC2)n1 ZINC000297482246 132018107 /nfs/dbraw/zinc/01/81/07/132018107.db2.gz ZJFSIQKVRGSPKY-KRWDZBQOSA-N 0 3 323.440 3.473 20 10 DGCDHN CNC(=O)C[C@@H](C)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000269019137 432151375 /nfs/dbraw/zinc/15/13/75/432151375.db2.gz PEMSFBVSUFXBRD-OAHLLOKOSA-N 0 3 317.477 3.070 20 10 DGCDHN O=C(C1CC[NH+](Cc2ccccc2[O-])CC1)N1CCCCCC1 ZINC000179554209 228352712 /nfs/dbraw/zinc/35/27/12/228352712.db2.gz GBHOSZYHHIVJHP-UHFFFAOYSA-N 0 3 316.445 3.007 20 10 DGCDHN C[C@@](O)(CNCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000270485223 432251423 /nfs/dbraw/zinc/25/14/23/432251423.db2.gz KDCMPCQNPXBOIT-OAHLLOKOSA-N 0 3 316.367 3.080 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000291704118 274114525 /nfs/dbraw/zinc/11/45/25/274114525.db2.gz ZGSVUIYVJQVZAK-KRWDZBQOSA-N 0 3 324.424 3.038 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000291704118 274114526 /nfs/dbraw/zinc/11/45/26/274114526.db2.gz ZGSVUIYVJQVZAK-KRWDZBQOSA-N 0 3 324.424 3.038 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](N)C(C)(C)C ZINC000237217937 276987296 /nfs/dbraw/zinc/98/72/96/276987296.db2.gz OKKJLPUSKPKEGP-QGZVFWFLSA-N 0 3 317.477 3.009 20 10 DGCDHN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000112536848 431282537 /nfs/dbraw/zinc/28/25/37/431282537.db2.gz XCHZQODFEIIBPO-CVEARBPZSA-N 0 3 311.429 3.330 20 10 DGCDHN CCCN(Cc1ccc(C(=O)OC)o1)Cc1ccccc1O ZINC000075829198 431501153 /nfs/dbraw/zinc/50/11/53/431501153.db2.gz RCWXQRGSKJIYHO-UHFFFAOYSA-N 0 3 303.358 3.184 20 10 DGCDHN Cc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000013994573 431571995 /nfs/dbraw/zinc/57/19/95/431571995.db2.gz ONEHGIFBQJLYQJ-MRXNPFEDSA-N 0 3 301.386 3.475 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(C(N)=O)c2)cc1 ZINC000122219112 431820594 /nfs/dbraw/zinc/82/05/94/431820594.db2.gz QDQLPGOBHSUOJT-CQSZACIVSA-N 0 3 311.429 3.092 20 10 DGCDHN Oc1cc2c(cc1CN(CCC(F)(F)F)CC1CC1)OCO2 ZINC000084482169 431826068 /nfs/dbraw/zinc/82/60/68/431826068.db2.gz JWBXGIPTQNSDGL-UHFFFAOYSA-N 0 3 317.307 3.285 20 10 DGCDHN COc1cccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c1[O-] ZINC000093593472 431915547 /nfs/dbraw/zinc/91/55/47/431915547.db2.gz CXBXINZTFHAWSR-AWEZNQCLSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c1[O-] ZINC000093593472 431915548 /nfs/dbraw/zinc/91/55/48/431915548.db2.gz CXBXINZTFHAWSR-AWEZNQCLSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1O ZINC000125939430 431938754 /nfs/dbraw/zinc/93/87/54/431938754.db2.gz KLURMKOBJZXCFL-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN C[C@@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000126258118 431946573 /nfs/dbraw/zinc/94/65/73/431946573.db2.gz RTZOZYXKXMQUMR-CYBMUJFWSA-N 0 3 315.392 3.181 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1ccccc1[O-] ZINC000183316483 432282374 /nfs/dbraw/zinc/28/23/74/432282374.db2.gz IHPWEAXZIGVBPR-QAPCUYQASA-N 0 3 315.413 3.181 20 10 DGCDHN Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccccc3[O-])cn2)n1 ZINC000183428392 432293532 /nfs/dbraw/zinc/29/35/32/432293532.db2.gz XDLSSNLODFCFQD-HNNXBMFYSA-N 0 3 322.412 3.441 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1[O-] ZINC000183732180 432320943 /nfs/dbraw/zinc/32/09/43/432320943.db2.gz UGNMDSAHXDJNST-CYBMUJFWSA-N 0 3 312.369 3.200 20 10 DGCDHN C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccccc1[O-] ZINC000183609264 432307743 /nfs/dbraw/zinc/30/77/43/432307743.db2.gz WWIKTQFVSGWJAB-GFCCVEGCSA-N 0 3 313.376 3.311 20 10 DGCDHN C[C@@H](NCc1cccnc1OCC(F)F)c1ccccc1O ZINC000183633511 432311765 /nfs/dbraw/zinc/31/17/65/432311765.db2.gz XOUJGSTUQMYSHI-LLVKDONJSA-N 0 3 308.328 3.282 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cc1OC ZINC000271955125 432431063 /nfs/dbraw/zinc/43/10/63/432431063.db2.gz CIOSQJVRUCNABB-GJZGRUSLSA-N 0 3 323.433 3.093 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1[O-] ZINC000271952686 432432080 /nfs/dbraw/zinc/43/20/80/432432080.db2.gz DUPLMPYMSGRTRC-JKSUJKDBSA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@@H](c1ccccc1)[N@H+](CCn1cncn1)Cc1ccccc1[O-] ZINC000272096202 432443671 /nfs/dbraw/zinc/44/36/71/432443671.db2.gz YYHDQRVEFYNJFL-INIZCTEOSA-N 0 3 322.412 3.247 20 10 DGCDHN C[C@@H](c1ccccc1)[N@@H+](CCn1cncn1)Cc1ccccc1[O-] ZINC000272096202 432443676 /nfs/dbraw/zinc/44/36/76/432443676.db2.gz YYHDQRVEFYNJFL-INIZCTEOSA-N 0 3 322.412 3.247 20 10 DGCDHN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184948782 432446958 /nfs/dbraw/zinc/44/69/58/432446958.db2.gz KQTVFQDLGZFMBV-UGSOOPFHSA-N 0 3 301.386 3.093 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCSC2)c1[O-] ZINC000271819333 432426435 /nfs/dbraw/zinc/42/64/35/432426435.db2.gz MODOVCWVYZRXRR-NSHDSACASA-N 0 3 302.237 3.058 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)c1 ZINC000271850135 432426956 /nfs/dbraw/zinc/42/69/56/432426956.db2.gz SWSOWQVVIZJRFY-KZULUSFZSA-N 0 3 319.376 3.406 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193505536 432477110 /nfs/dbraw/zinc/47/71/10/432477110.db2.gz ABMCZOKPAXVSJV-OLZOCXBDSA-N 0 3 316.367 3.235 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1 ZINC000185580049 432511298 /nfs/dbraw/zinc/51/12/98/432511298.db2.gz QAIGFFZDLVCADZ-HNNXBMFYSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1 ZINC000185580049 432511303 /nfs/dbraw/zinc/51/13/03/432511303.db2.gz QAIGFFZDLVCADZ-HNNXBMFYSA-N 0 3 305.418 3.254 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](OC)c2ccccc2)c1 ZINC000185101909 432467171 /nfs/dbraw/zinc/46/71/71/432467171.db2.gz JBWVEXFXVSRCKB-FZKQIMNGSA-N 0 3 301.386 3.439 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136343 432562353 /nfs/dbraw/zinc/56/23/53/432562353.db2.gz OYHOBVWRQLINDC-PBFPGSCMSA-N 0 3 323.458 3.106 20 10 DGCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1Oc1ccccc1 ZINC000186161958 432562793 /nfs/dbraw/zinc/56/27/93/432562793.db2.gz URCUZOJPNNQFTQ-NEWSRXKRSA-N 0 3 313.397 3.107 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)c1 ZINC000186157664 432563520 /nfs/dbraw/zinc/56/35/20/432563520.db2.gz NYSYMQMYMJXKDU-WDEREUQCSA-N 0 3 304.390 3.460 20 10 DGCDHN CC[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccccc1[O-] ZINC000155160680 432542063 /nfs/dbraw/zinc/54/20/63/432542063.db2.gz GPTHOZTYCBEETA-ZDUSSCGKSA-N 0 3 304.356 3.317 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186589136 432610128 /nfs/dbraw/zinc/61/01/28/432610128.db2.gz WESVZSWHWUQLMF-UHFFFAOYSA-N 0 3 315.388 3.101 20 10 DGCDHN Cc1cccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1[O-] ZINC000186459726 432597266 /nfs/dbraw/zinc/59/72/66/432597266.db2.gz HZIAERFILBXKIG-UHFFFAOYSA-N 0 3 312.413 3.016 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000273733037 432630286 /nfs/dbraw/zinc/63/02/86/432630286.db2.gz KLADSLWNJUZLTF-UHFFFAOYSA-N 0 3 311.809 3.057 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000273733037 432630289 /nfs/dbraw/zinc/63/02/89/432630289.db2.gz KLADSLWNJUZLTF-UHFFFAOYSA-N 0 3 311.809 3.057 20 10 DGCDHN CCN(C)C(=O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000186822736 432631731 /nfs/dbraw/zinc/63/17/31/432631731.db2.gz XKFHFWSSKYVCOT-INIZCTEOSA-N 0 3 317.477 3.196 20 10 DGCDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(N(C)C)cc2)[C@@]12CCCO2 ZINC000274197495 432638761 /nfs/dbraw/zinc/63/87/61/432638761.db2.gz KXONOWXSYRSDFS-FDPIWHGQSA-N 0 3 318.461 3.130 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)cc1OC ZINC000274325321 432652166 /nfs/dbraw/zinc/65/21/66/432652166.db2.gz DQZOZBWFXOQXLW-DLBZAZTESA-N 0 3 323.433 3.091 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000219453269 432663723 /nfs/dbraw/zinc/66/37/23/432663723.db2.gz VGUDSNVLLNDVRW-DZGCQCFKSA-N 0 3 320.433 3.270 20 10 DGCDHN CC[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000178182214 432704749 /nfs/dbraw/zinc/70/47/49/432704749.db2.gz QPSQYJHJTSKGLK-GOSISDBHSA-N 0 3 311.429 3.092 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000223661946 432678541 /nfs/dbraw/zinc/67/85/41/432678541.db2.gz BWPHXUJIGOQNKA-ZIAGYGMSSA-N 0 3 320.433 3.300 20 10 DGCDHN COc1ccc(O)c(CN[C@@H](C)c2cc(F)ccc2OC)c1 ZINC000237205573 432782179 /nfs/dbraw/zinc/78/21/79/432782179.db2.gz UWSQJDHTXDUDBQ-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN CCOc1cccc(C[NH2+]Cc2ccccc2-n2cccn2)c1[O-] ZINC000236909923 432771032 /nfs/dbraw/zinc/77/10/32/432771032.db2.gz AXBHLQYXTCIBMM-UHFFFAOYSA-N 0 3 323.396 3.266 20 10 DGCDHN C[C@H](NCc1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000178742233 432773625 /nfs/dbraw/zinc/77/36/25/432773625.db2.gz GYKOYVUXMHKFRJ-HNNXBMFYSA-N 0 3 321.428 3.184 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c1[O-] ZINC000237227591 432781291 /nfs/dbraw/zinc/78/12/91/432781291.db2.gz WFDXWCMRSIBAEO-ZDUSSCGKSA-N 0 3 301.386 3.217 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c1 ZINC000237205463 432781508 /nfs/dbraw/zinc/78/15/08/432781508.db2.gz YGBINVZWLLRZDG-ZDUSSCGKSA-N 0 3 301.386 3.217 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000276979724 432827692 /nfs/dbraw/zinc/82/76/92/432827692.db2.gz VQEPXGAVOQTMHA-WMLDXEAASA-N 0 3 316.445 3.367 20 10 DGCDHN C[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000276229293 432785749 /nfs/dbraw/zinc/78/57/49/432785749.db2.gz MXPQSUFKXSMPTA-LLVKDONJSA-N 0 3 322.346 3.320 20 10 DGCDHN CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000276456802 432809541 /nfs/dbraw/zinc/80/95/41/432809541.db2.gz VLTMEAZPTKRHOY-DJJJIMSYSA-N 0 3 315.413 3.347 20 10 DGCDHN CC[C@H](C)c1nc([C@@H](C)NCc2cc(C)c(C)cc2O)n[nH]1 ZINC000277469715 432852553 /nfs/dbraw/zinc/85/25/53/432852553.db2.gz RJIOPGFPZOLFKN-GXFFZTMASA-N 0 3 302.422 3.491 20 10 DGCDHN C[C@H](NCCC(C)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000296639317 432923688 /nfs/dbraw/zinc/92/36/88/432923688.db2.gz BYYLNYVYLYZGND-LBPRGKRZSA-N 0 3 316.367 3.358 20 10 DGCDHN Cc1ccc([C@@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC000296621254 432924043 /nfs/dbraw/zinc/92/40/43/432924043.db2.gz WXBJLPMLWOFEGC-OWCLPIDISA-N 0 3 324.424 3.043 20 10 DGCDHN Cc1ccc([C@@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC000296621254 432924044 /nfs/dbraw/zinc/92/40/44/432924044.db2.gz WXBJLPMLWOFEGC-OWCLPIDISA-N 0 3 324.424 3.043 20 10 DGCDHN CSC1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000289031858 432914563 /nfs/dbraw/zinc/91/45/63/432914563.db2.gz HBEVNIUDOBPDIA-OAHLLOKOSA-N 0 3 307.459 3.269 20 10 DGCDHN CSC1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000289031858 432914565 /nfs/dbraw/zinc/91/45/65/432914565.db2.gz HBEVNIUDOBPDIA-OAHLLOKOSA-N 0 3 307.459 3.269 20 10 DGCDHN Cc1cc(CNCc2ccc(N(C)C)cc2)cc(N2CCCC2)n1 ZINC000289709286 432972766 /nfs/dbraw/zinc/97/27/66/432972766.db2.gz FHHKKOAEMKEEGX-UHFFFAOYSA-N 0 3 324.472 3.346 20 10 DGCDHN Cc1cccc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1[O-] ZINC000289766720 432974860 /nfs/dbraw/zinc/97/48/60/432974860.db2.gz KGGGSKFRRSMGDY-UHFFFAOYSA-N 0 3 302.418 3.248 20 10 DGCDHN Cc1cccc(C[N@H+](C)CCCN(C)Cc2ccco2)c1[O-] ZINC000289766720 432974864 /nfs/dbraw/zinc/97/48/64/432974864.db2.gz KGGGSKFRRSMGDY-UHFFFAOYSA-N 0 3 302.418 3.248 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c([O-])c1 ZINC000297216064 432976675 /nfs/dbraw/zinc/97/66/75/432976675.db2.gz GZVCBKSSCUFABA-PBHICJAKSA-N 0 3 317.404 3.402 20 10 DGCDHN COc1cccc(C2(C[NH2+]Cc3cccc(OC)c3[O-])CC2)c1 ZINC000290024447 432982344 /nfs/dbraw/zinc/98/23/44/432982344.db2.gz ZVASWEIOOBYJGU-UHFFFAOYSA-N 0 3 313.397 3.231 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2COc3ccccc32)c1[O-] ZINC000290071086 432987832 /nfs/dbraw/zinc/98/78/32/432987832.db2.gz FWGLLSUOKNHFFL-LBPRGKRZSA-N 0 3 319.788 3.320 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c1[O-] ZINC000280107052 433000955 /nfs/dbraw/zinc/00/09/55/433000955.db2.gz AUJUIZOHOZSMRD-MRXNPFEDSA-N 0 3 313.825 3.445 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(OC)CC2)c1[O-] ZINC000280107052 433000961 /nfs/dbraw/zinc/00/09/61/433000961.db2.gz AUJUIZOHOZSMRD-MRXNPFEDSA-N 0 3 313.825 3.445 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(C)cc1[O-] ZINC000280062208 433001379 /nfs/dbraw/zinc/00/13/79/433001379.db2.gz KMAJECFWZULCLQ-UXLLHSPISA-N 0 3 318.461 3.388 20 10 DGCDHN CC[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(C)cc1[O-] ZINC000280236997 433019853 /nfs/dbraw/zinc/01/98/53/433019853.db2.gz VQDOEZRKKUTYTL-ZDUSSCGKSA-N 0 3 304.356 3.235 20 10 DGCDHN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297867022 433026240 /nfs/dbraw/zinc/02/62/40/433026240.db2.gz ULOIXQVABVBJRO-JRMKUOIOSA-N 0 3 307.459 3.049 20 10 DGCDHN CCOc1cccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000290369887 433041005 /nfs/dbraw/zinc/04/10/05/433041005.db2.gz ANTWTWCXALTQQI-AWEZNQCLSA-N 0 3 321.808 3.088 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000280487454 433060785 /nfs/dbraw/zinc/06/07/85/433060785.db2.gz ONCJRFICLFRQMY-SMDDNHRTSA-N 0 3 313.825 3.180 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000280487454 433060792 /nfs/dbraw/zinc/06/07/92/433060792.db2.gz ONCJRFICLFRQMY-SMDDNHRTSA-N 0 3 313.825 3.180 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@H]2O)c([O-])c1C ZINC000290490647 433066074 /nfs/dbraw/zinc/06/60/74/433066074.db2.gz XTTPYHWLMVXZOC-URKNILKWSA-N 0 3 313.397 3.154 20 10 DGCDHN CN1CCC([C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000290605304 433114724 /nfs/dbraw/zinc/11/47/24/433114724.db2.gz WGKMVTGBPCHZNX-CQSZACIVSA-N 0 3 308.853 3.209 20 10 DGCDHN CN1CCC([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000290605304 433114730 /nfs/dbraw/zinc/11/47/30/433114730.db2.gz WGKMVTGBPCHZNX-CQSZACIVSA-N 0 3 308.853 3.209 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC3(CCO3)CC2)cc1F ZINC000374330262 433186701 /nfs/dbraw/zinc/18/67/01/433186701.db2.gz LSKJXYLAKDXYLJ-UHFFFAOYSA-N 0 3 306.425 3.427 20 10 DGCDHN C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000280874134 433206606 /nfs/dbraw/zinc/20/66/06/433206606.db2.gz AKRGKDLLYNGSLY-MCMMXHMISA-N 0 3 321.486 3.223 20 10 DGCDHN Cc1nn(C(C)C)cc1CNCc1ccc2c(c1)CCCN2C ZINC000281498364 433306499 /nfs/dbraw/zinc/30/64/99/433306499.db2.gz WNCXQKIXBCSJDZ-UHFFFAOYSA-N 0 3 312.461 3.445 20 10 DGCDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000374924770 433311990 /nfs/dbraw/zinc/31/19/90/433311990.db2.gz HGHCOXRWBAHNGL-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000375121015 433367670 /nfs/dbraw/zinc/36/76/70/433367670.db2.gz NBRBFIZCCMVNRR-QZTJIDSGSA-N 0 3 305.418 3.086 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1C ZINC000282318702 433562457 /nfs/dbraw/zinc/56/24/57/433562457.db2.gz KWYTZXJKJMHDMO-FQEVSTJZSA-N 0 3 311.425 3.323 20 10 DGCDHN Cc1cc(O)c(CN[C@]2(CO)CCCc3ccccc32)cc1C ZINC000282318702 433562465 /nfs/dbraw/zinc/56/24/65/433562465.db2.gz KWYTZXJKJMHDMO-FQEVSTJZSA-N 0 3 311.425 3.323 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC(F)(F)F ZINC000282346016 433575549 /nfs/dbraw/zinc/57/55/49/433575549.db2.gz CFKZVYNOWPCJRK-ZDUSSCGKSA-N 0 3 305.340 3.308 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC(F)(F)F ZINC000282346016 433575557 /nfs/dbraw/zinc/57/55/57/433575557.db2.gz CFKZVYNOWPCJRK-ZDUSSCGKSA-N 0 3 305.340 3.308 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000292856276 433602792 /nfs/dbraw/zinc/60/27/92/433602792.db2.gz UTHNVAJBLXTUGX-GTNSWQLSSA-N 0 3 319.426 3.254 20 10 DGCDHN CCOc1cccc(CN2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000362335529 433651136 /nfs/dbraw/zinc/65/11/36/433651136.db2.gz LSGFWKPTMCWCAB-INIZCTEOSA-N 0 3 315.417 3.170 20 10 DGCDHN Cc1noc([C@@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000293439022 433739708 /nfs/dbraw/zinc/73/97/08/433739708.db2.gz JTXGDRQKULQNOC-MRXNPFEDSA-N 0 3 314.433 3.132 20 10 DGCDHN CCCN1CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293506758 433763402 /nfs/dbraw/zinc/76/34/02/433763402.db2.gz AHEAZXFAQQILFP-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN CCC[N@@H+]1CC[C@H](CNCc2cc(Cl)c(F)cc2[O-])C1 ZINC000293506758 433763409 /nfs/dbraw/zinc/76/34/09/433763409.db2.gz AHEAZXFAQQILFP-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN CCC[N@H+]1CC[C@H](CNCc2cc(Cl)c(F)cc2[O-])C1 ZINC000293506758 433763423 /nfs/dbraw/zinc/76/34/23/433763423.db2.gz AHEAZXFAQQILFP-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293580026 433792631 /nfs/dbraw/zinc/79/26/31/433792631.db2.gz HRAALBIQYKLWDQ-GOSISDBHSA-N 0 3 317.429 3.182 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293580026 433792637 /nfs/dbraw/zinc/79/26/37/433792637.db2.gz HRAALBIQYKLWDQ-GOSISDBHSA-N 0 3 317.429 3.182 20 10 DGCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000293700193 433833895 /nfs/dbraw/zinc/83/38/95/433833895.db2.gz LZBRVRQGFTYYSA-GOEBONIOSA-N 0 3 306.450 3.294 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cc(Br)ccc1[O-] ZINC000293759973 433860074 /nfs/dbraw/zinc/86/00/74/433860074.db2.gz RZSGMAYRMHFULJ-WDEREUQCSA-N 0 3 315.255 3.003 20 10 DGCDHN [O-]c1cc(F)c(Cl)cc1CNC1CC[NH+](CC2CC2)CC1 ZINC000293818867 433878311 /nfs/dbraw/zinc/87/83/11/433878311.db2.gz DBWHXJDWDYXPEA-UHFFFAOYSA-N 0 3 312.816 3.149 20 10 DGCDHN COCC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CCOCC1 ZINC000293785243 433865827 /nfs/dbraw/zinc/86/58/27/433865827.db2.gz UCQANMYRJFEQGT-HNNXBMFYSA-N 0 3 307.434 3.103 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000294604529 434124768 /nfs/dbraw/zinc/12/47/68/434124768.db2.gz DJCIYTIMCGPSBA-KGLIPLIRSA-N 0 3 304.434 3.059 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1C ZINC000294825358 434145619 /nfs/dbraw/zinc/14/56/19/434145619.db2.gz PKHURNZWLXVNJB-HNNXBMFYSA-N 0 3 318.461 3.123 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1C ZINC000294825358 434145637 /nfs/dbraw/zinc/14/56/37/434145637.db2.gz PKHURNZWLXVNJB-HNNXBMFYSA-N 0 3 318.461 3.123 20 10 DGCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000294977999 434158180 /nfs/dbraw/zinc/15/81/80/434158180.db2.gz GIOJXDCKVQFUDE-HNNXBMFYSA-N 0 3 309.768 3.350 20 10 DGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000294977999 434158189 /nfs/dbraw/zinc/15/81/89/434158189.db2.gz GIOJXDCKVQFUDE-HNNXBMFYSA-N 0 3 309.768 3.350 20 10 DGCDHN CSCC1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000295000285 434160136 /nfs/dbraw/zinc/16/01/36/434160136.db2.gz ILALVNCPKAGBJL-UHFFFAOYSA-N 0 3 309.431 3.132 20 10 DGCDHN CCOc1cccc(CN2CCC[C@@H](OCC3CC3)C2)c1O ZINC000364462553 434272561 /nfs/dbraw/zinc/27/25/61/434272561.db2.gz LYTYBVHIRBYMSN-MRXNPFEDSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1[O-] ZINC000364462553 434272572 /nfs/dbraw/zinc/27/25/72/434272572.db2.gz LYTYBVHIRBYMSN-MRXNPFEDSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1[O-] ZINC000364462553 434272581 /nfs/dbraw/zinc/27/25/81/434272581.db2.gz LYTYBVHIRBYMSN-MRXNPFEDSA-N 0 3 305.418 3.182 20 10 DGCDHN O=C1CCCN1c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295933540 434443380 /nfs/dbraw/zinc/44/33/80/434443380.db2.gz KKWSPTPARZSEHW-KRWDZBQOSA-N 0 3 322.408 3.296 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CC2CC=CC2)c1[O-] ZINC000527751316 295125501 /nfs/dbraw/zinc/12/55/01/295125501.db2.gz VSDYNVBPNFGVSE-UHFFFAOYSA-N 0 3 312.207 3.219 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1 ZINC000371546738 434730147 /nfs/dbraw/zinc/73/01/47/434730147.db2.gz NZKZLFSYQPNCOK-ORAYPTAESA-N 0 3 313.397 3.365 20 10 DGCDHN CCOCc1cc(CN[C@@H]2C[C@]2(C)OC(C)C)ccc1OC ZINC000527799480 435014715 /nfs/dbraw/zinc/01/47/15/435014715.db2.gz KWQKVOGLCWSXDM-MSOLQXFVSA-N 0 3 307.434 3.277 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1 ZINC000527966957 435016703 /nfs/dbraw/zinc/01/67/03/435016703.db2.gz WJPZDWFIUPJXJW-GFCCVEGCSA-N 0 3 311.385 3.138 20 10 DGCDHN COc1cccc(C[NH2+]C2CCC3(CCOCC3)CC2)c1[O-] ZINC000360025426 337083995 /nfs/dbraw/zinc/08/39/95/337083995.db2.gz YILLRUDDWKLMGJ-UHFFFAOYSA-N 0 3 305.418 3.230 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000184682165 533954182 /nfs/dbraw/zinc/95/41/82/533954182.db2.gz YMIWJZXHNBDEMR-LLVKDONJSA-N 0 3 321.808 3.157 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000184682165 533954199 /nfs/dbraw/zinc/95/41/99/533954199.db2.gz YMIWJZXHNBDEMR-LLVKDONJSA-N 0 3 321.808 3.157 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)C2CC(OC(C)(C)C)C2)c([O-])c1 ZINC001658375014 1196247552 /nfs/dbraw/zinc/24/75/52/1196247552.db2.gz KUZXHPIJGTZSQH-UHFFFAOYSA-N 0 3 307.434 3.487 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c([O-])c1 ZINC001658375014 1196247557 /nfs/dbraw/zinc/24/75/57/1196247557.db2.gz KUZXHPIJGTZSQH-UHFFFAOYSA-N 0 3 307.434 3.487 20 10 DGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000228792315 518805157 /nfs/dbraw/zinc/80/51/57/518805157.db2.gz GDBQDKWCAVCTES-OAHLLOKOSA-N 0 3 320.433 3.271 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000163470012 518837009 /nfs/dbraw/zinc/83/70/09/518837009.db2.gz BDHGJMAOXXKTBW-HUUCEWRRSA-N 0 3 320.433 3.318 20 10 DGCDHN CCOc1cccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1[O-] ZINC000188275294 521338492 /nfs/dbraw/zinc/33/84/92/521338492.db2.gz LJDRQNRGHYDFOF-MRXNPFEDSA-N 0 3 305.418 3.182 20 10 DGCDHN CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179889626 521359761 /nfs/dbraw/zinc/35/97/61/521359761.db2.gz ZKYRHNUZTVDPSF-HNNXBMFYSA-N 0 3 312.413 3.092 20 10 DGCDHN CCOc1cccc(C[NH2+]CC[C@](C)(O)c2ccccc2)c1[O-] ZINC000189844499 521364222 /nfs/dbraw/zinc/36/42/22/521364222.db2.gz VFZOWEIMBDCGLN-IBGZPJMESA-N 0 3 315.413 3.178 20 10 DGCDHN CCOc1cccc(CN[C@H](CCO)c2ccccc2)c1O ZINC000265851782 521375867 /nfs/dbraw/zinc/37/58/67/521375867.db2.gz IGBQINUXNUYDCU-MRXNPFEDSA-N 0 3 301.386 3.004 20 10 DGCDHN CC[C@H](C[NH2+][C@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000227714365 522200660 /nfs/dbraw/zinc/20/06/60/522200660.db2.gz UASVTRCFLORHNC-CHWSQXEVSA-N 0 3 308.422 3.346 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000227683657 522732741 /nfs/dbraw/zinc/73/27/41/522732741.db2.gz JNFLENOORQVLII-OCCSQVGLSA-N 0 3 308.422 3.346 20 10 DGCDHN COc1cc(O)c(CNC2(c3cccc(F)c3)CC2)cc1OC ZINC000182358604 522777958 /nfs/dbraw/zinc/77/79/58/522777958.db2.gz XCQFJXSLKSRUJZ-UHFFFAOYSA-N 0 3 317.360 3.327 20 10 DGCDHN CC[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000127401614 522842005 /nfs/dbraw/zinc/84/20/05/522842005.db2.gz WYXOKQBWMSBMQO-IIBYNOLFSA-N 0 3 310.507 3.341 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000156961540 522855531 /nfs/dbraw/zinc/85/55/31/522855531.db2.gz BQBFSUMMKRRSSK-SJLPKXTDSA-N 0 3 303.377 3.480 20 10 DGCDHN CN(CCOCC(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000188638355 522887236 /nfs/dbraw/zinc/88/72/36/522887236.db2.gz JTFGWSOXKXCTGB-UHFFFAOYSA-N 0 3 312.404 3.390 20 10 DGCDHN C[N@H+](CCOCC(F)(F)C(F)(F)F)Cc1ccccc1[O-] ZINC000189663231 522887333 /nfs/dbraw/zinc/88/73/33/522887333.db2.gz RWWDABDLHVPSIY-UHFFFAOYSA-N 0 3 313.266 3.038 20 10 DGCDHN C[N@@H+](CCOCC(F)(F)C(F)(F)F)Cc1ccccc1[O-] ZINC000189663231 522887342 /nfs/dbraw/zinc/88/73/42/522887342.db2.gz RWWDABDLHVPSIY-UHFFFAOYSA-N 0 3 313.266 3.038 20 10 DGCDHN Cc1cccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1[O-] ZINC000180629267 524390788 /nfs/dbraw/zinc/39/07/88/524390788.db2.gz OOXJPGUYLWUZIK-SFHVURJKSA-N 0 3 319.445 3.251 20 10 DGCDHN COc1ccc(O)c(CNC(C)(C)c2ccccc2OC)c1 ZINC000182153154 524751327 /nfs/dbraw/zinc/75/13/27/524751327.db2.gz BQAAOECYPSQWMF-UHFFFAOYSA-N 0 3 301.386 3.434 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cc1C ZINC000267251120 525321609 /nfs/dbraw/zinc/32/16/09/525321609.db2.gz ZLEKLLVGRZDITA-SCLBCKFNSA-N 0 3 303.377 3.360 20 10 DGCDHN Cc1cc(O)c(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000182107673 525322440 /nfs/dbraw/zinc/32/24/40/525322440.db2.gz VVDVMTDZKVEYRT-JTSKRJEESA-N 0 3 317.454 3.218 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000180243486 526349236 /nfs/dbraw/zinc/34/92/36/526349236.db2.gz CWBIEFLAUQBSTI-QGZVFWFLSA-N 0 3 323.408 3.081 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1[O-] ZINC000375647663 529203526 /nfs/dbraw/zinc/20/35/26/529203526.db2.gz FKQXDQAUKITCCJ-NVXWUHKLSA-N 0 3 311.429 3.397 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000274820811 535808937 /nfs/dbraw/zinc/80/89/37/535808937.db2.gz BPDHMGWGJHJJIB-MSOLQXFVSA-N 0 3 324.424 3.234 20 10 DGCDHN COCCOc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000273361260 536732090 /nfs/dbraw/zinc/73/20/90/536732090.db2.gz DAPHEMKUTZTQFA-ZDUSSCGKSA-N 0 3 319.376 3.407 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@H](OC)C(F)(F)F)cc1 ZINC000733329577 574616585 /nfs/dbraw/zinc/61/65/85/574616585.db2.gz VTKKUSMDDDKEEO-AWEZNQCLSA-N 0 3 304.356 3.200 20 10 DGCDHN CN(C)c1ccc(CN[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000741257567 574954614 /nfs/dbraw/zinc/95/46/14/574954614.db2.gz FNEIFJRCWJNMRQ-HXUWFJFHSA-N 0 3 320.440 3.480 20 10 DGCDHN CCN(C)c1ccc(CN2CCC[C@H](c3nc(C)no3)C2)cc1 ZINC000741754241 574968796 /nfs/dbraw/zinc/96/87/96/574968796.db2.gz MBTDFJJQZYYJCJ-INIZCTEOSA-N 0 3 314.433 3.214 20 10 DGCDHN COc1cccc2c1OC[C@H]([NH2+]Cc1cc(C)c(C)cc1[O-])C2 ZINC000742369422 574992900 /nfs/dbraw/zinc/99/29/00/574992900.db2.gz GKABYCFEQKXHJV-MRXNPFEDSA-N 0 3 313.397 3.111 20 10 DGCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])C12CCCC2 ZINC000742390948 574995914 /nfs/dbraw/zinc/99/59/14/574995914.db2.gz WKLBOSWZXKEGGJ-CVEARBPZSA-N 0 3 305.418 3.228 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1[O-] ZINC000729681242 575259824 /nfs/dbraw/zinc/25/98/24/575259824.db2.gz YPUKDTNQMPDDKV-ZDUSSCGKSA-N 0 3 301.386 3.217 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCc1nc2ccccc2s1 ZINC000746404092 575450804 /nfs/dbraw/zinc/45/08/04/575450804.db2.gz JOKBYFNPAQDZCG-UHFFFAOYSA-N 0 3 314.410 3.343 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCOC3)C1)CCC2 ZINC000747830249 575544710 /nfs/dbraw/zinc/54/47/10/575544710.db2.gz LQOYOAPASUBCRM-IRXDYDNUSA-N 0 3 301.430 3.129 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCOC3)C1)CCC2 ZINC000747830249 575544712 /nfs/dbraw/zinc/54/47/12/575544712.db2.gz LQOYOAPASUBCRM-IRXDYDNUSA-N 0 3 301.430 3.129 20 10 DGCDHN COc1ccc(CNCc2ccc([S@@](C)=O)cc2)cc1C ZINC000751991561 575816889 /nfs/dbraw/zinc/81/68/89/575816889.db2.gz WAQDBWXFHFXGHP-OAQYLSRUSA-N 0 3 303.427 3.031 20 10 DGCDHN CC(C)(C)OC(=O)[C@@H](C[NH2+]Cc1ccccc1[O-])C1CCC1 ZINC000853095115 620668031 /nfs/dbraw/zinc/66/80/31/620668031.db2.gz IXAFEMXCVUQQHW-HNNXBMFYSA-N 0 3 305.418 3.240 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241016 620681523 /nfs/dbraw/zinc/68/15/23/620681523.db2.gz RRVLWYWWCOLOOO-DZGCQCFKSA-N 0 3 306.425 3.304 20 10 DGCDHN CCC(CC)CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853589910 620713671 /nfs/dbraw/zinc/71/36/71/620713671.db2.gz QWKVDGVNWAYCKQ-KRWDZBQOSA-N 0 3 307.434 3.466 20 10 DGCDHN CCC(CC)CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853589910 620713675 /nfs/dbraw/zinc/71/36/75/620713675.db2.gz QWKVDGVNWAYCKQ-KRWDZBQOSA-N 0 3 307.434 3.466 20 10 DGCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCC2CC2)N(C)C)cc1 ZINC000891247273 617759790 /nfs/dbraw/zinc/75/97/90/617759790.db2.gz HWCWKLACJCXFTA-GOSISDBHSA-N 0 3 317.477 3.052 20 10 DGCDHN CCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891254284 617760937 /nfs/dbraw/zinc/76/09/37/617760937.db2.gz YDDFYPDQJUMFNP-KRWDZBQOSA-N 0 3 317.477 3.052 20 10 DGCDHN COc1ccc(CN(C)[C@H](C)c2cccc(O)c2)c(O)c1OC ZINC000892009681 617944148 /nfs/dbraw/zinc/94/41/48/617944148.db2.gz NMKLDQPPNKDBKV-GFCCVEGCSA-N 0 3 317.385 3.308 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)c([O-])c1 ZINC000840882034 618109065 /nfs/dbraw/zinc/10/90/65/618109065.db2.gz SEHREWHBQPPTDP-HIFRSBDPSA-N 0 3 303.377 3.266 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)c([O-])c1 ZINC000840882049 618109659 /nfs/dbraw/zinc/10/96/59/618109659.db2.gz SEHREWHBQPPTDP-ZFWWWQNUSA-N 0 3 303.377 3.266 20 10 DGCDHN CC[C@H](C)c1nc([C@H](C)NCc2cc(C)cc(OC)c2O)n[nH]1 ZINC000894554917 618384775 /nfs/dbraw/zinc/38/47/75/618384775.db2.gz BPFVCVRBZZSHNF-RYUDHWBXSA-N 0 3 318.421 3.192 20 10 DGCDHN CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000925784387 618619401 /nfs/dbraw/zinc/61/94/01/618619401.db2.gz NDNVRQLQWMHCIV-JIMOISOXSA-N 0 3 302.340 3.060 20 10 DGCDHN COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1OC ZINC000894140234 618718989 /nfs/dbraw/zinc/71/89/89/618718989.db2.gz BAHIXMHHTCAAGH-GXSJLCMTSA-N 0 3 319.323 3.182 20 10 DGCDHN COc1ccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc3C2)c([O-])c1 ZINC000894186485 618726110 /nfs/dbraw/zinc/72/61/10/618726110.db2.gz XEKAFJHRQHXCHA-CJNGLKHVSA-N 0 3 313.397 3.130 20 10 DGCDHN COc1ccc(F)c(CNCc2cc(C)cc(OC)c2O)c1 ZINC000895380620 618776042 /nfs/dbraw/zinc/77/60/42/618776042.db2.gz ZURATOBYLOKQEP-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN COC(=O)c1c[nH]c(C[NH2+][C@@H](C)c2ccccc2[O-])c1C1CC1 ZINC000895850629 618842083 /nfs/dbraw/zinc/84/20/83/618842083.db2.gz CZNISVMCVDLTQB-NSHDSACASA-N 0 3 314.385 3.235 20 10 DGCDHN CN(C)CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cccnc1 ZINC000896718763 618947867 /nfs/dbraw/zinc/94/78/67/618947867.db2.gz CXRLGVLMJUJOAB-INIZCTEOSA-N 0 3 319.836 3.223 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c1[O-] ZINC000897080744 619011906 /nfs/dbraw/zinc/01/19/06/619011906.db2.gz BHPUVCDEWLSFKJ-HNNXBMFYSA-N 0 3 323.824 3.275 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])c(C)c1OC ZINC000897246678 619036929 /nfs/dbraw/zinc/03/69/29/619036929.db2.gz YBRNRGXIIOZPJO-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000898078073 619213885 /nfs/dbraw/zinc/21/38/85/619213885.db2.gz UXMGKTVYMITXLO-KFWWJZLASA-N 0 3 318.417 3.022 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC23CCCC3)c1[O-] ZINC000898112457 619214940 /nfs/dbraw/zinc/21/49/40/619214940.db2.gz RQGAZAQMPNQMKK-CQSZACIVSA-N 0 3 311.809 3.246 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000898516510 619283514 /nfs/dbraw/zinc/28/35/14/619283514.db2.gz UECUEHYAWNPEML-DOTOQJQBSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000898516510 619283516 /nfs/dbraw/zinc/28/35/16/619283516.db2.gz UECUEHYAWNPEML-DOTOQJQBSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000898516513 619283604 /nfs/dbraw/zinc/28/36/04/619283604.db2.gz UECUEHYAWNPEML-WBVHZDCISA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000898516513 619283605 /nfs/dbraw/zinc/28/36/05/619283605.db2.gz UECUEHYAWNPEML-WBVHZDCISA-N 0 3 319.445 3.430 20 10 DGCDHN CC[C@H](N)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379483 625356993 /nfs/dbraw/zinc/35/69/93/625356993.db2.gz SDFYVCGUSAWJCG-INIZCTEOSA-N 0 3 313.449 3.035 20 10 DGCDHN C[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000128989660 625363676 /nfs/dbraw/zinc/36/36/76/625363676.db2.gz AZKMHGBGBONELI-DNVCBOLYSA-N 0 3 323.440 3.209 20 10 DGCDHN CC[C@H](N[C@H](c1nncn1C)C(C)C)c1ccc(C)cc1O ZINC000903063417 619709021 /nfs/dbraw/zinc/70/90/21/619709021.db2.gz FCGWCXGCYAMJEH-HOCLYGCPSA-N 0 3 302.422 3.267 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC000903174989 619729978 /nfs/dbraw/zinc/72/99/78/619729978.db2.gz BRECDKGGDNSCQR-DMDPSCGWSA-N 0 3 301.308 3.079 20 10 DGCDHN COc1cccc([C@@H](C)NCc2cnn(CC3CCC3)c2)c1O ZINC000903240077 619742630 /nfs/dbraw/zinc/74/26/30/619742630.db2.gz OBVDZEHZSHNWLV-CYBMUJFWSA-N 0 3 315.417 3.248 20 10 DGCDHN CC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC2(CC1)OCCO2 ZINC000903269680 619749705 /nfs/dbraw/zinc/74/97/05/619749705.db2.gz YEWYDDYECUZMFA-OAHLLOKOSA-N 0 3 317.429 3.293 20 10 DGCDHN C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000903312279 619757979 /nfs/dbraw/zinc/75/79/79/619757979.db2.gz YKLMHLYYWIXEKK-PIGZYNQJSA-N 0 3 307.340 3.229 20 10 DGCDHN C[C@@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000903312296 619758169 /nfs/dbraw/zinc/75/81/69/619758169.db2.gz YQVFQDALIQHCSE-CRAIPNDOSA-N 0 3 301.361 3.016 20 10 DGCDHN CC(C)O[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCOC1 ZINC000903357234 619764768 /nfs/dbraw/zinc/76/47/68/619764768.db2.gz LJLUCJYYOZYPSL-DFHBCGBQSA-N 0 3 323.408 3.253 20 10 DGCDHN Cc1cccc(C)c1C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000904439604 619922761 /nfs/dbraw/zinc/92/27/61/619922761.db2.gz OQCPTKFJBRQZPJ-SFHVURJKSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1cccc(C)c1C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000904439604 619922763 /nfs/dbraw/zinc/92/27/63/619922763.db2.gz OQCPTKFJBRQZPJ-SFHVURJKSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000153695972 620594597 /nfs/dbraw/zinc/59/45/97/620594597.db2.gz RORIMBSSFZJUIU-SFHVURJKSA-N 0 3 312.413 3.277 20 10 DGCDHN CCC[N@H+](Cc1cccc(C(=O)NC)c1)Cc1ccccc1[O-] ZINC000113931505 620964251 /nfs/dbraw/zinc/96/42/51/620964251.db2.gz RDBIFKWPIXBNND-UHFFFAOYSA-N 0 3 312.413 3.164 20 10 DGCDHN CCC[N@@H+](Cc1cccc(C(=O)NC)c1)Cc1ccccc1[O-] ZINC000113931505 620964252 /nfs/dbraw/zinc/96/42/52/620964252.db2.gz RDBIFKWPIXBNND-UHFFFAOYSA-N 0 3 312.413 3.164 20 10 DGCDHN C[NH+](C)CC[C@H](NCc1c([O-])cccc1Cl)c1cccnc1 ZINC000922627335 621069796 /nfs/dbraw/zinc/06/97/96/621069796.db2.gz IGSYVONPOPOHQN-INIZCTEOSA-N 0 3 319.836 3.223 20 10 DGCDHN CCn1nc(C)c(CNCc2ccc(N(C)C)cc2C)c1C ZINC000115629193 621119331 /nfs/dbraw/zinc/11/93/31/621119331.db2.gz QDQBUPJQMCVPHJ-UHFFFAOYSA-N 0 3 300.450 3.184 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000922963260 621140575 /nfs/dbraw/zinc/14/05/75/621140575.db2.gz LITOKTSHEGEFKP-LJQANCHMSA-N 0 3 313.397 3.195 20 10 DGCDHN CN(C)c1cc(F)c(CNCCNc2ccccc2)cc1F ZINC000858148957 621158618 /nfs/dbraw/zinc/15/86/18/621158618.db2.gz RUQNMNUUXPQDAX-UHFFFAOYSA-N 0 3 305.372 3.233 20 10 DGCDHN COc1ccc(N2CC[C@H](NCc3ccncc3Cl)C2)cc1 ZINC000858187416 621162954 /nfs/dbraw/zinc/16/29/54/621162954.db2.gz UMARLNCWMPHFRS-AWEZNQCLSA-N 0 3 317.820 3.112 20 10 DGCDHN CCN(CC)c1ccc(CN[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000858280717 621171279 /nfs/dbraw/zinc/17/12/79/621171279.db2.gz BEESWWFSPARIPS-IBGZPJMESA-N 0 3 323.440 3.186 20 10 DGCDHN COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000840808814 621208786 /nfs/dbraw/zinc/20/87/86/621208786.db2.gz MRILIEHZFBJMII-HOCLYGCPSA-N 0 3 315.413 3.136 20 10 DGCDHN CC(C)(C)CNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000859138386 621252586 /nfs/dbraw/zinc/25/25/86/621252586.db2.gz DQWJGTFUVDFWDI-UHFFFAOYSA-N 0 3 318.461 3.299 20 10 DGCDHN CC(C)(C)CNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000859138386 621252587 /nfs/dbraw/zinc/25/25/87/621252587.db2.gz DQWJGTFUVDFWDI-UHFFFAOYSA-N 0 3 318.461 3.299 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCOC1CCOCC1)C1CCCC1 ZINC000859140704 621252866 /nfs/dbraw/zinc/25/28/66/621252866.db2.gz YVBPCXDCCPTIPH-UHFFFAOYSA-N 0 3 319.445 3.332 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCOC1CCOCC1)C1CCCC1 ZINC000859140704 621252868 /nfs/dbraw/zinc/25/28/68/621252868.db2.gz YVBPCXDCCPTIPH-UHFFFAOYSA-N 0 3 319.445 3.332 20 10 DGCDHN CCO[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CC1 ZINC000859191134 621258981 /nfs/dbraw/zinc/25/89/81/621258981.db2.gz WQKXZRNMAFJBKC-PKOBYXMFSA-N 0 3 319.445 3.188 20 10 DGCDHN CCO[C@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CC1 ZINC000859191134 621258983 /nfs/dbraw/zinc/25/89/83/621258983.db2.gz WQKXZRNMAFJBKC-PKOBYXMFSA-N 0 3 319.445 3.188 20 10 DGCDHN COc1cc(CC2C[NH+](Cc3ccccc3[O-])C2)cc(OC)c1 ZINC000839138710 621339859 /nfs/dbraw/zinc/33/98/59/621339859.db2.gz PIZIUYWAJOBZEF-UHFFFAOYSA-N 0 3 313.397 3.084 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000754727813 621528293 /nfs/dbraw/zinc/52/82/93/621528293.db2.gz QKNJHAWSHFBOCE-LJQANCHMSA-N 0 3 310.441 3.498 20 10 DGCDHN COC[C@H]1CCCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862333945 621575199 /nfs/dbraw/zinc/57/51/99/621575199.db2.gz PZQUTIURTXVINH-ZDUSSCGKSA-N 0 3 312.404 3.279 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862483603 621594021 /nfs/dbraw/zinc/59/40/21/621594021.db2.gz VGRCYZSFTILKAB-GOSISDBHSA-N 0 3 301.361 3.015 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862483603 621594024 /nfs/dbraw/zinc/59/40/24/621594024.db2.gz VGRCYZSFTILKAB-GOSISDBHSA-N 0 3 301.361 3.015 20 10 DGCDHN CCN(CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])CCC(F)(F)F ZINC000756051417 621612008 /nfs/dbraw/zinc/61/20/08/621612008.db2.gz VQLMSBOAPVKBEW-NSHDSACASA-N 0 3 322.346 3.456 20 10 DGCDHN [O-]c1ccccc1C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000756140806 621618101 /nfs/dbraw/zinc/61/81/01/621618101.db2.gz RYUOJIIKAJLZSZ-UHFFFAOYSA-N 0 3 307.397 3.121 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C2CCN(C3CC3)CC2)c2c1c(F)ccc2[O-] ZINC000756368880 621631958 /nfs/dbraw/zinc/63/19/58/621631958.db2.gz RJZKQXXINGVUTA-ABAIWWIYSA-N 0 3 304.409 3.296 20 10 DGCDHN Cc1n[nH]cc1CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756398432 621635673 /nfs/dbraw/zinc/63/56/73/621635673.db2.gz GADXJZYNODZKHP-IINYFYTJSA-N 0 3 303.381 3.334 20 10 DGCDHN COc1cccc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1OC ZINC000756420075 621637286 /nfs/dbraw/zinc/63/72/86/621637286.db2.gz BCSGGKRIQABORG-GFCCVEGCSA-N 0 3 319.376 3.442 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000756460842 621639912 /nfs/dbraw/zinc/63/99/12/621639912.db2.gz UIRHEQNVTUYNLI-UKRRQHHQSA-N 0 3 303.377 3.033 20 10 DGCDHN COCCOCCCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756516175 621644577 /nfs/dbraw/zinc/64/45/77/621644577.db2.gz IDFMMVCXTKQPAU-GXTWGEPZSA-N 0 3 311.397 3.112 20 10 DGCDHN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756537082 621645781 /nfs/dbraw/zinc/64/57/81/621645781.db2.gz ZTFNCEFKNIIUOV-PKFCDNJMSA-N 0 3 303.381 3.472 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccsc2)c2c1c(F)ccc2[O-] ZINC000756592054 621651875 /nfs/dbraw/zinc/65/18/75/621651875.db2.gz IHKNTTLZWRIHSS-LJWDBELGSA-N 0 3 307.390 3.464 20 10 DGCDHN COc1ccccc1[C@H](CO)N[C@H](C)c1cc(C)ccc1O ZINC000756711483 621659845 /nfs/dbraw/zinc/65/98/45/621659845.db2.gz LIRBZSWNJWOPHT-CJNGLKHVSA-N 0 3 301.386 3.093 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1[O-] ZINC000756763277 621662774 /nfs/dbraw/zinc/66/27/74/621662774.db2.gz WRSKDWFKQCFSLS-BLLLJJGKSA-N 0 3 320.408 3.116 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c([O-])c1 ZINC000756765789 621663443 /nfs/dbraw/zinc/66/34/43/621663443.db2.gz RBPUWQBWIMVGIV-HUUCEWRRSA-N 0 3 305.418 3.079 20 10 DGCDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC[C@@H]1C(F)(F)F ZINC000863646018 621693272 /nfs/dbraw/zinc/69/32/72/621693272.db2.gz FTUBLRIYCZKJLP-JQWIXIFHSA-N 0 3 322.758 3.005 20 10 DGCDHN C[C@@H](NC1COC(C)(C)OC1)c1ccc(N2CCCCC2)cc1 ZINC000757705542 621734817 /nfs/dbraw/zinc/73/48/17/621734817.db2.gz OJJOCWXSXIUCLJ-OAHLLOKOSA-N 0 3 318.461 3.479 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c([O-])c1 ZINC000757864682 621743747 /nfs/dbraw/zinc/74/37/47/621743747.db2.gz BTCHDWOVSPWHEI-WBVHZDCISA-N 0 3 307.434 3.020 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c([O-])c1 ZINC000757864682 621743749 /nfs/dbraw/zinc/74/37/49/621743749.db2.gz BTCHDWOVSPWHEI-WBVHZDCISA-N 0 3 307.434 3.020 20 10 DGCDHN CCOc1ccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c([O-])c1 ZINC000758498110 621785257 /nfs/dbraw/zinc/78/52/57/621785257.db2.gz HPYGNWGEXNQWFG-QGZVFWFLSA-N 0 3 307.434 3.476 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c([O-])c1 ZINC000865736121 621986405 /nfs/dbraw/zinc/98/64/05/621986405.db2.gz GGNFRQUWFZELHJ-ZWKOTPCHSA-N 0 3 305.418 3.228 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1[O-] ZINC000761203199 621993669 /nfs/dbraw/zinc/99/36/69/621993669.db2.gz KWYNMPPILHLFIQ-FZMZJTMJSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1[O-] ZINC000761203199 621993672 /nfs/dbraw/zinc/99/36/72/621993672.db2.gz KWYNMPPILHLFIQ-FZMZJTMJSA-N 0 3 311.809 3.055 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2c3ccccc3CN2C)c([O-])c1 ZINC000865806675 621998390 /nfs/dbraw/zinc/99/83/90/621998390.db2.gz MLAJKKXAJHUVJZ-SFHVURJKSA-N 0 3 312.413 3.067 20 10 DGCDHN CC[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000866437762 622118052 /nfs/dbraw/zinc/11/80/52/622118052.db2.gz NWNNZUOCHYFLER-OAHLLOKOSA-N 0 3 323.433 3.100 20 10 DGCDHN C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1cc(F)ccc1[O-] ZINC000866640231 622152297 /nfs/dbraw/zinc/15/22/97/622152297.db2.gz CKKZHDLXQLPKGE-NSHDSACASA-N 0 3 316.376 3.362 20 10 DGCDHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC12CC2 ZINC000763693143 622158882 /nfs/dbraw/zinc/15/88/82/622158882.db2.gz ZFHPFBZXESXKOA-INIZCTEOSA-N 0 3 315.413 3.233 20 10 DGCDHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC12CC2 ZINC000763693143 622158885 /nfs/dbraw/zinc/15/88/85/622158885.db2.gz ZFHPFBZXESXKOA-INIZCTEOSA-N 0 3 315.413 3.233 20 10 DGCDHN CC[C@@H](NCc1ccc(N(CC)CC)cc1)[C@H](O)C(F)(F)F ZINC000765786724 622287239 /nfs/dbraw/zinc/28/72/39/622287239.db2.gz IDPKFSURMDOLFS-CABCVRRESA-N 0 3 318.383 3.324 20 10 DGCDHN COc1cccc(O)c1CN(C)CCOc1ccccc1F ZINC000768211608 622445735 /nfs/dbraw/zinc/44/57/35/622445735.db2.gz AERFICDDYLSYCV-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN CN(C)c1ccc(CN(Cc2ccc(N(C)C)nc2)C2CC2)cc1 ZINC000768256313 622447724 /nfs/dbraw/zinc/44/77/24/622447724.db2.gz BTTNLXRKNKQFNC-UHFFFAOYSA-N 0 3 324.472 3.378 20 10 DGCDHN CC(C)N(Cc1cnc(N)s1)Cc1ccc(N(C)C)cc1 ZINC000768357075 622452112 /nfs/dbraw/zinc/45/21/12/622452112.db2.gz HHBGKGWNWSLRAY-UHFFFAOYSA-N 0 3 304.463 3.202 20 10 DGCDHN C[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438006 622455492 /nfs/dbraw/zinc/45/54/92/622455492.db2.gz NMBBABUKDJJQEV-INIZCTEOSA-N 0 3 319.788 3.103 20 10 DGCDHN C[N@@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438006 622455496 /nfs/dbraw/zinc/45/54/96/622455496.db2.gz NMBBABUKDJJQEV-INIZCTEOSA-N 0 3 319.788 3.103 20 10 DGCDHN CCN(CCC(F)(F)F)Cc1cc(OC)c(OC)cc1O ZINC000768444579 622456178 /nfs/dbraw/zinc/45/61/78/622456178.db2.gz MNBYZLIENOUJIZ-UHFFFAOYSA-N 0 3 307.312 3.184 20 10 DGCDHN CC[N@H+](Cc1ccccc1C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440458 622456390 /nfs/dbraw/zinc/45/63/90/622456390.db2.gz WHXVPGKPBDAFOK-SFHVURJKSA-N 0 3 313.397 3.149 20 10 DGCDHN CC[N@@H+](Cc1ccccc1C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440458 622456392 /nfs/dbraw/zinc/45/63/92/622456392.db2.gz WHXVPGKPBDAFOK-SFHVURJKSA-N 0 3 313.397 3.149 20 10 DGCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCCCC3)CC1)[C@H](O)CO2 ZINC000768446607 622456730 /nfs/dbraw/zinc/45/67/30/622456730.db2.gz ZDGXWUWDKDFFLR-QGZVFWFLSA-N 0 3 317.429 3.364 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC=CCC3)C1)[C@@H](O)CO2 ZINC000768445664 622457142 /nfs/dbraw/zinc/45/71/42/622457142.db2.gz GKKVGTDVYQQPGM-HKUYNNGSSA-N 0 3 315.413 3.140 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CC=CCC3)C1)[C@@H](O)CO2 ZINC000768445664 622457144 /nfs/dbraw/zinc/45/71/44/622457144.db2.gz GKKVGTDVYQQPGM-HKUYNNGSSA-N 0 3 315.413 3.140 20 10 DGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(C3CCCC3)CC1)[C@@H](O)CO2 ZINC000768466693 622458635 /nfs/dbraw/zinc/45/86/35/622458635.db2.gz UUQYZIKDJNUJIV-SFHVURJKSA-N 0 3 317.429 3.220 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@H]2C[C@H](OCC)C2(C)C)c1[O-] ZINC000769472907 622531494 /nfs/dbraw/zinc/53/14/94/622531494.db2.gz KRVJSMPDFOSTOR-HOTGVXAUSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@H]2C[C@H](OCC)C2(C)C)c1[O-] ZINC000769472907 622531496 /nfs/dbraw/zinc/53/14/96/622531496.db2.gz KRVJSMPDFOSTOR-HOTGVXAUSA-N 0 3 307.434 3.426 20 10 DGCDHN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000769686881 622549238 /nfs/dbraw/zinc/54/92/38/622549238.db2.gz KFXXZXAAMXTIAA-OLZOCXBDSA-N 0 3 308.422 3.174 20 10 DGCDHN CCC1(CC)[C@H]([N@H+](C)Cc2cccc(OC)c2[O-])C[C@@H]1OC ZINC000770353765 622623740 /nfs/dbraw/zinc/62/37/40/622623740.db2.gz ULPQTLAUAJYDLQ-CVEARBPZSA-N 0 3 307.434 3.426 20 10 DGCDHN CCC1(CC)[C@H]([N@@H+](C)Cc2cccc(OC)c2[O-])C[C@@H]1OC ZINC000770353765 622623744 /nfs/dbraw/zinc/62/37/44/622623744.db2.gz ULPQTLAUAJYDLQ-CVEARBPZSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([O-])c1 ZINC000770374373 622625766 /nfs/dbraw/zinc/62/57/66/622625766.db2.gz MXFJSPUFQPRGLD-HOCLYGCPSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([O-])c1 ZINC000770374373 622625769 /nfs/dbraw/zinc/62/57/69/622625769.db2.gz MXFJSPUFQPRGLD-HOCLYGCPSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC000770374369 622626239 /nfs/dbraw/zinc/62/62/39/622626239.db2.gz MXFJSPUFQPRGLD-GDBMZVCRSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC000770374369 622626243 /nfs/dbraw/zinc/62/62/43/622626243.db2.gz MXFJSPUFQPRGLD-GDBMZVCRSA-N 0 3 305.418 3.039 20 10 DGCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000770504531 622640766 /nfs/dbraw/zinc/64/07/66/622640766.db2.gz IJPPRGIEEZUEDH-UKRRQHHQSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[O-] ZINC000770504531 622640769 /nfs/dbraw/zinc/64/07/69/622640769.db2.gz IJPPRGIEEZUEDH-UKRRQHHQSA-N 0 3 320.433 3.270 20 10 DGCDHN COc1cccc(O)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000771935401 622819431 /nfs/dbraw/zinc/81/94/31/622819431.db2.gz REKPQJUSPJEWKX-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935401 622819441 /nfs/dbraw/zinc/81/94/41/622819441.db2.gz REKPQJUSPJEWKX-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935401 622819448 /nfs/dbraw/zinc/81/94/48/622819448.db2.gz REKPQJUSPJEWKX-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)CC2 ZINC000872129180 622823376 /nfs/dbraw/zinc/82/33/76/622823376.db2.gz VWBJZZHCAPSVRS-HOTGVXAUSA-N 0 3 317.816 3.226 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)CC2 ZINC000872129181 622824087 /nfs/dbraw/zinc/82/40/87/622824087.db2.gz VWBJZZHCAPSVRS-HZPDHXFCSA-N 0 3 317.816 3.226 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872259889 622869763 /nfs/dbraw/zinc/86/97/63/622869763.db2.gz CQVZPWVRKXKNPR-OAHLLOKOSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872259889 622869765 /nfs/dbraw/zinc/86/97/65/622869765.db2.gz CQVZPWVRKXKNPR-OAHLLOKOSA-N 0 3 305.418 3.324 20 10 DGCDHN CC[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773105574 622984670 /nfs/dbraw/zinc/98/46/70/622984670.db2.gz HWXYOTQFKKWLIE-GXTWGEPZSA-N 0 3 304.356 3.107 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000773402828 623022839 /nfs/dbraw/zinc/02/28/39/623022839.db2.gz UDIPOUPVONBSPW-VPZZIHKRSA-N 0 3 313.397 3.444 20 10 DGCDHN COc1ccc(CNC2(C)CC(F)(F)C2)cc1Cn1cccn1 ZINC000873197994 623071937 /nfs/dbraw/zinc/07/19/37/623071937.db2.gz XRXOQLOEEYXZOW-UHFFFAOYSA-N 0 3 321.371 3.217 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1[O-] ZINC000775156788 623235599 /nfs/dbraw/zinc/23/55/99/623235599.db2.gz HMJGIPUUEYAXJU-MRXNPFEDSA-N 0 3 308.853 3.461 20 10 DGCDHN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000775201511 623241152 /nfs/dbraw/zinc/24/11/52/623241152.db2.gz QSOISXQMFSLWOO-MRXNPFEDSA-N 0 3 305.805 3.486 20 10 DGCDHN CC[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000775489486 623279748 /nfs/dbraw/zinc/27/97/48/623279748.db2.gz QKGCIRSUXAWNBC-INIZCTEOSA-N 0 3 316.376 3.002 20 10 DGCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000775489487 623280179 /nfs/dbraw/zinc/28/01/79/623280179.db2.gz QKGCIRSUXAWNBC-MRXNPFEDSA-N 0 3 316.376 3.002 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1[O-] ZINC000775513880 623282902 /nfs/dbraw/zinc/28/29/02/623282902.db2.gz OCXSXQNCIQRSTM-CYBMUJFWSA-N 0 3 313.323 3.392 20 10 DGCDHN CC[C@H](N[C@H](CO)c1ccccc1OC)c1ccccc1O ZINC000775523098 623283907 /nfs/dbraw/zinc/28/39/07/623283907.db2.gz GFSWFPHYXZYEDK-JKSUJKDBSA-N 0 3 301.386 3.175 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775996047 623362836 /nfs/dbraw/zinc/36/28/36/623362836.db2.gz JHARSRIOIVWVDV-UHFFFAOYSA-N 0 3 315.388 3.101 20 10 DGCDHN COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2C)cc1 ZINC000776175082 623390756 /nfs/dbraw/zinc/39/07/56/623390756.db2.gz UNEPKNATMPUOGF-UHFFFAOYSA-N 0 3 312.413 3.137 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NC[C@H](OC)C(F)(F)F)cc1 ZINC000777007445 623484451 /nfs/dbraw/zinc/48/44/51/623484451.db2.gz MMMQDERJPJWJEO-RISCZKNCSA-N 0 3 304.356 3.371 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NC[C@@H](OC)C(F)(F)F)cc1 ZINC000777007447 623484740 /nfs/dbraw/zinc/48/47/40/623484740.db2.gz MMMQDERJPJWJEO-SMDDNHRTSA-N 0 3 304.356 3.371 20 10 DGCDHN C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccc(N(C)C)cc1 ZINC000777574058 623543456 /nfs/dbraw/zinc/54/34/56/623543456.db2.gz FSLGHETYPKCDKK-CQSZACIVSA-N 0 3 321.428 3.389 20 10 DGCDHN C[C@@H](NCc1nnc(-c2ccccc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000777574058 623543459 /nfs/dbraw/zinc/54/34/59/623543459.db2.gz FSLGHETYPKCDKK-CQSZACIVSA-N 0 3 321.428 3.389 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c([O-])c1 ZINC000790484683 625660359 /nfs/dbraw/zinc/66/03/59/625660359.db2.gz HLEVOGISTQAUCV-QGZVFWFLSA-N 0 3 306.450 3.001 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@H](C(C)C)C3)c2c1 ZINC000777969550 623593400 /nfs/dbraw/zinc/59/34/00/623593400.db2.gz RWVGKFBZORIUBF-LJQANCHMSA-N 0 3 315.413 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@H](C(C)C)C3)c2c1 ZINC000777969550 623593404 /nfs/dbraw/zinc/59/34/04/623593404.db2.gz RWVGKFBZORIUBF-LJQANCHMSA-N 0 3 315.413 3.411 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](OC)C1CCOCC1 ZINC000876654405 623671482 /nfs/dbraw/zinc/67/14/82/623671482.db2.gz FEMDNFWCAPDIIW-SFHVURJKSA-N 0 3 307.434 3.046 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](OC)C1CCOCC1 ZINC000876654405 623671483 /nfs/dbraw/zinc/67/14/83/623671483.db2.gz FEMDNFWCAPDIIW-SFHVURJKSA-N 0 3 307.434 3.046 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000876719869 623688475 /nfs/dbraw/zinc/68/84/75/623688475.db2.gz XOFSQNWOFZYAGA-HNNXBMFYSA-N 0 3 318.461 3.075 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000876719869 623688478 /nfs/dbraw/zinc/68/84/78/623688478.db2.gz XOFSQNWOFZYAGA-HNNXBMFYSA-N 0 3 318.461 3.075 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000876790472 623706901 /nfs/dbraw/zinc/70/69/01/623706901.db2.gz JAUNECZNXVMIKX-KRWDZBQOSA-N 0 3 319.445 3.251 20 10 DGCDHN CCN1C[C@H](C[N@H+](C)Cc2ccccc2[O-])Oc2ccccc21 ZINC000778995544 623717961 /nfs/dbraw/zinc/71/79/61/623717961.db2.gz ZFUYRGKVLIHEAG-INIZCTEOSA-N 0 3 312.413 3.112 20 10 DGCDHN CCN1C[C@H](C[N@@H+](C)Cc2ccccc2[O-])Oc2ccccc21 ZINC000778995544 623717967 /nfs/dbraw/zinc/71/79/67/623717967.db2.gz ZFUYRGKVLIHEAG-INIZCTEOSA-N 0 3 312.413 3.112 20 10 DGCDHN COC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779001422 623719211 /nfs/dbraw/zinc/71/92/11/623719211.db2.gz RQKQAEAJMKKXLA-NXEZZACHSA-N 0 3 302.212 3.149 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000779010375 623720577 /nfs/dbraw/zinc/72/05/77/623720577.db2.gz UMENILRBOMCGAG-SFHVURJKSA-N 0 3 301.361 3.495 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000779010375 623720580 /nfs/dbraw/zinc/72/05/80/623720580.db2.gz UMENILRBOMCGAG-SFHVURJKSA-N 0 3 301.361 3.495 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)c1[O-] ZINC000779050364 623724585 /nfs/dbraw/zinc/72/45/85/623724585.db2.gz OUNVRXJUIJPOGJ-MXWKQRLJSA-N 0 3 316.239 3.273 20 10 DGCDHN Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000876902477 623739672 /nfs/dbraw/zinc/73/96/72/623739672.db2.gz DHUYSIMERVOHLT-UHFFFAOYSA-N 0 3 324.424 3.095 20 10 DGCDHN Cc1ccc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)c([O-])c1 ZINC000876930234 623747225 /nfs/dbraw/zinc/74/72/25/623747225.db2.gz MNXCMLWQADLSGZ-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000877023318 623767940 /nfs/dbraw/zinc/76/79/40/623767940.db2.gz NBAQNYQSQVAFTC-ZDUSSCGKSA-N 0 3 308.422 3.094 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1F ZINC000779432113 623769517 /nfs/dbraw/zinc/76/95/17/623769517.db2.gz KOWPMHVDHRIWMS-YOEHRIQHSA-N 0 3 308.441 3.121 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000877040050 623773532 /nfs/dbraw/zinc/77/35/32/623773532.db2.gz NIBDJNPZMOGTCS-IBGZPJMESA-N 0 3 315.413 3.311 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000877045965 623775476 /nfs/dbraw/zinc/77/54/76/623775476.db2.gz HIWHCROVDHOAQI-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN Cc1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c([O-])c1 ZINC000877046616 623775746 /nfs/dbraw/zinc/77/57/46/623775746.db2.gz NABKFGBENTUOEF-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c([O-])c1 ZINC000877093718 623790920 /nfs/dbraw/zinc/79/09/20/623790920.db2.gz CMVUHBFFIXMROG-AWEZNQCLSA-N 0 3 317.820 3.118 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000877131357 623799488 /nfs/dbraw/zinc/79/94/88/623799488.db2.gz YKAJIXZEQDZFMH-FZKQIMNGSA-N 0 3 303.377 3.442 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CCCc1nc2ccccc2n1C ZINC000877155504 623809565 /nfs/dbraw/zinc/80/95/65/623809565.db2.gz UIJAYAGROILDDT-UHFFFAOYSA-N 0 3 309.413 3.310 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c([O-])c1 ZINC000877377601 623861940 /nfs/dbraw/zinc/86/19/40/623861940.db2.gz RISAZNDKQWHDBY-OAHLLOKOSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c([O-])c1 ZINC000877377601 623861947 /nfs/dbraw/zinc/86/19/47/623861947.db2.gz RISAZNDKQWHDBY-OAHLLOKOSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000877476482 623901366 /nfs/dbraw/zinc/90/13/66/623901366.db2.gz FZIXITUIGSEABM-HKUYNNGSSA-N 0 3 315.388 3.096 20 10 DGCDHN COc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)c([O-])c1 ZINC000877493834 623909880 /nfs/dbraw/zinc/90/98/80/623909880.db2.gz PDDBSXZVMRTFKC-UGSOOPFHSA-N 0 3 301.386 3.267 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1 ZINC000877493246 623910242 /nfs/dbraw/zinc/91/02/42/623910242.db2.gz BGHSUXBPGLNEEN-KRWDZBQOSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1 ZINC000877493246 623910247 /nfs/dbraw/zinc/91/02/47/623910247.db2.gz BGHSUXBPGLNEEN-KRWDZBQOSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000877562214 623942317 /nfs/dbraw/zinc/94/23/17/623942317.db2.gz XFTMYGILLVNLQX-QWHCGFSZSA-N 0 3 308.422 3.092 20 10 DGCDHN CC[C@H](C[NH2+]Cc1c(C)cccc1[O-])NC(=O)OC(C)(C)C ZINC000877561891 623942598 /nfs/dbraw/zinc/94/25/98/623942598.db2.gz MTZFRJHDPZVXSL-CYBMUJFWSA-N 0 3 308.422 3.094 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000877600122 623957639 /nfs/dbraw/zinc/95/76/39/623957639.db2.gz KDQYEEYYXIGHLW-SFHVURJKSA-N 0 3 301.430 3.482 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000877600122 623957645 /nfs/dbraw/zinc/95/76/45/623957645.db2.gz KDQYEEYYXIGHLW-SFHVURJKSA-N 0 3 301.430 3.482 20 10 DGCDHN COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C)cccc3[O-])C2)cc1 ZINC000877620732 623966173 /nfs/dbraw/zinc/96/61/73/623966173.db2.gz MMTVNPMXMCUONC-OAHLLOKOSA-N 0 3 312.413 3.078 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672644 623987335 /nfs/dbraw/zinc/98/73/35/623987335.db2.gz JOWUOEWHJZDJLD-DLBZAZTESA-N 0 3 301.361 3.229 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672644 623987340 /nfs/dbraw/zinc/98/73/40/623987340.db2.gz JOWUOEWHJZDJLD-DLBZAZTESA-N 0 3 301.361 3.229 20 10 DGCDHN Cc1cc(Br)cc(CN2CCCSCC2)c1O ZINC000780893855 623995159 /nfs/dbraw/zinc/99/51/59/623995159.db2.gz UGPNVPHUIVILJE-UHFFFAOYSA-N 0 3 316.264 3.402 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+]2CCCSCC2)c1[O-] ZINC000780893855 623995163 /nfs/dbraw/zinc/99/51/63/623995163.db2.gz UGPNVPHUIVILJE-UHFFFAOYSA-N 0 3 316.264 3.402 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+]2CCCSCC2)c1[O-] ZINC000780893855 623995167 /nfs/dbraw/zinc/99/51/67/623995167.db2.gz UGPNVPHUIVILJE-UHFFFAOYSA-N 0 3 316.264 3.402 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1[O-] ZINC000877739723 624012002 /nfs/dbraw/zinc/01/20/02/624012002.db2.gz SXVIATAQTJEOOY-JQWIXIFHSA-N 0 3 313.850 3.239 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1[O-] ZINC000877739723 624012003 /nfs/dbraw/zinc/01/20/03/624012003.db2.gz SXVIATAQTJEOOY-JQWIXIFHSA-N 0 3 313.850 3.239 20 10 DGCDHN C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccccc1[O-] ZINC000877757384 624022976 /nfs/dbraw/zinc/02/29/76/624022976.db2.gz WIULXFSVRMOWLA-AWEZNQCLSA-N 0 3 318.461 3.470 20 10 DGCDHN COc1cc(OC)c(CN[C@@H](C)c2ccccc2O)cc1F ZINC000877758147 624023813 /nfs/dbraw/zinc/02/38/13/624023813.db2.gz KRZJHZLDBCEICV-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)c([O-])c1 ZINC000782535220 624261193 /nfs/dbraw/zinc/26/11/93/624261193.db2.gz LTHUANNFUGRCIK-SFHVURJKSA-N 0 3 307.434 3.212 20 10 DGCDHN CCOc1ccc(CN[C@@H](C)c2ccncc2OC)c(O)c1 ZINC000782543990 624262756 /nfs/dbraw/zinc/26/27/56/624262756.db2.gz BZLKYHJDMSHDAC-LBPRGKRZSA-N 0 3 302.374 3.045 20 10 DGCDHN CO[C@]1(C(F)(F)F)CCCN(Cc2cc(C)ccc2O)C1 ZINC000783716495 624386630 /nfs/dbraw/zinc/38/66/30/624386630.db2.gz AGIBATARRVGCBY-CQSZACIVSA-N 0 3 303.324 3.244 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1[O-] ZINC000879648122 624620974 /nfs/dbraw/zinc/62/09/74/624620974.db2.gz ZAFJIQYJEYZTQL-VYDXJSESSA-N 0 3 316.445 3.224 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1[O-] ZINC000879648726 624621028 /nfs/dbraw/zinc/62/10/28/624621028.db2.gz AVFSRFOQBLUHCT-OAHLLOKOSA-N 0 3 324.424 3.234 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1[O-] ZINC000879648121 624621169 /nfs/dbraw/zinc/62/11/69/624621169.db2.gz ZAFJIQYJEYZTQL-INMHGKMJSA-N 0 3 316.445 3.224 20 10 DGCDHN CCN(C(=O)C[NH2+][C@H](C)c1ccccc1[O-])C1CCCCC1 ZINC000879647428 624621183 /nfs/dbraw/zinc/62/11/83/624621183.db2.gz BXLXLBZSUMNEQJ-CQSZACIVSA-N 0 3 304.434 3.224 20 10 DGCDHN C[C@@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879649064 624622700 /nfs/dbraw/zinc/62/27/00/624622700.db2.gz KXHQKTLMPGCZHC-RBSFLKMASA-N 0 3 312.413 3.309 20 10 DGCDHN COC(=O)c1oc([C@H](C)N[C@H](C)c2ccccc2O)cc1C ZINC000879649151 624622905 /nfs/dbraw/zinc/62/29/05/624622905.db2.gz JRJRIKJVAKZZKV-NEPJUHHUSA-N 0 3 303.358 3.492 20 10 DGCDHN Cc1ccc(O)c(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000128515441 624983255 /nfs/dbraw/zinc/98/32/55/624983255.db2.gz FGIAPEZPZMQTDN-UHFFFAOYSA-N 0 3 320.433 3.143 20 10 DGCDHN CC(C)(CO)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000787769791 625048663 /nfs/dbraw/zinc/04/86/63/625048663.db2.gz IRMORZDEYCLYJR-LJQANCHMSA-N 0 3 311.425 3.471 20 10 DGCDHN CCCN1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790946602 625720627 /nfs/dbraw/zinc/72/06/27/625720627.db2.gz FDHIVVJGFUIOAD-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN CCC[NH+]1CCC(NCc2c([O-])ccc(Cl)c2F)CC1 ZINC000790946602 625720630 /nfs/dbraw/zinc/72/06/30/625720630.db2.gz FDHIVVJGFUIOAD-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN CC(C)[N@@H+]1CC[C@@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790963051 625724386 /nfs/dbraw/zinc/72/43/86/625724386.db2.gz XNGNJOVINQNZEL-NSHDSACASA-N 0 3 300.805 3.005 20 10 DGCDHN CC(C)[N@H+]1CC[C@@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790963051 625724392 /nfs/dbraw/zinc/72/43/92/625724392.db2.gz XNGNJOVINQNZEL-NSHDSACASA-N 0 3 300.805 3.005 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(CC)cc2)c([O-])c1 ZINC000796452472 626051312 /nfs/dbraw/zinc/05/13/12/626051312.db2.gz VEAHGMKZSMRQKB-IBGZPJMESA-N 0 3 315.413 3.177 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H]2C)c1[O-] ZINC000796525190 626058941 /nfs/dbraw/zinc/05/89/41/626058941.db2.gz BRZJMUSOTDHQEM-KWQFWETISA-N 0 3 300.196 3.051 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000796678103 626072752 /nfs/dbraw/zinc/07/27/52/626072752.db2.gz YFOSYUVRGWQTLZ-LBPRGKRZSA-N 0 3 311.385 3.450 20 10 DGCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc2[nH]c(=O)oc2c1 ZINC000796739060 626077925 /nfs/dbraw/zinc/07/79/25/626077925.db2.gz PCWXKRXDMHJVKI-LLVKDONJSA-N 0 3 310.353 3.319 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccccc1[O-])C(C)(C)C ZINC000798508467 626222566 /nfs/dbraw/zinc/22/25/66/626222566.db2.gz ZWWSXEMLBCDJKM-HNNXBMFYSA-N 0 3 322.449 3.421 20 10 DGCDHN C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000799728565 626325037 /nfs/dbraw/zinc/32/50/37/626325037.db2.gz CKWOEPPKJUAMGC-BBRMVZONSA-N 0 3 303.377 3.176 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c([O-])c1 ZINC000799735580 626326310 /nfs/dbraw/zinc/32/63/10/626326310.db2.gz ZLMFOXBEWUJSSG-ZDUSSCGKSA-N 0 3 308.381 3.139 20 10 DGCDHN CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699076 626372099 /nfs/dbraw/zinc/37/20/99/626372099.db2.gz RUPPEZVXRMFNNO-JQWIXIFHSA-N 0 3 303.855 3.119 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cn1 ZINC000801596594 626411246 /nfs/dbraw/zinc/41/12/46/626411246.db2.gz GYMAUQFSIIVYLI-GOSISDBHSA-N 0 3 318.392 3.262 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cn1 ZINC000801596594 626411247 /nfs/dbraw/zinc/41/12/47/626411247.db2.gz GYMAUQFSIIVYLI-GOSISDBHSA-N 0 3 318.392 3.262 20 10 DGCDHN CCCCN(CC(=O)N1CCCC[C@H]1C)Cc1ccccc1O ZINC000801596600 626411385 /nfs/dbraw/zinc/41/13/85/626411385.db2.gz HBBKODSTUHLODI-MRXNPFEDSA-N 0 3 318.461 3.395 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cn1 ZINC000801596595 626411474 /nfs/dbraw/zinc/41/14/74/626411474.db2.gz GYMAUQFSIIVYLI-SFHVURJKSA-N 0 3 318.392 3.262 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cn1 ZINC000801596595 626411475 /nfs/dbraw/zinc/41/14/75/626411475.db2.gz GYMAUQFSIIVYLI-SFHVURJKSA-N 0 3 318.392 3.262 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCC(C)C ZINC000801599220 626411798 /nfs/dbraw/zinc/41/17/98/626411798.db2.gz FZTSOSVEWZWJQV-HNNXBMFYSA-N 0 3 306.450 3.155 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCC(C)C ZINC000801599220 626411801 /nfs/dbraw/zinc/41/18/01/626411801.db2.gz FZTSOSVEWZWJQV-HNNXBMFYSA-N 0 3 306.450 3.155 20 10 DGCDHN COC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000802654889 626565527 /nfs/dbraw/zinc/56/55/27/626565527.db2.gz NEGFQIBVHZEZBL-AWEZNQCLSA-N 0 3 301.386 3.096 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CSC2(C)C)c1[O-] ZINC000802660951 626565669 /nfs/dbraw/zinc/56/56/69/626565669.db2.gz AJSWTJFXURCXER-NSHDSACASA-N 0 3 316.264 3.447 20 10 DGCDHN CC(C)CC1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000808231935 626807687 /nfs/dbraw/zinc/80/76/87/626807687.db2.gz ROWQWARTEILUCS-QGZVFWFLSA-N 0 3 319.445 3.466 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCCC2=O)c1[O-] ZINC000808672393 626848216 /nfs/dbraw/zinc/84/82/16/626848216.db2.gz MCMSGRHFEWNDSQ-LBPRGKRZSA-N 0 3 310.825 3.017 20 10 DGCDHN CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808673071 626848388 /nfs/dbraw/zinc/84/83/88/626848388.db2.gz WLDIEWFUUUHBAI-NSHDSACASA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1[O-] ZINC000808679833 626848918 /nfs/dbraw/zinc/84/89/18/626848918.db2.gz BPHJZBNVLCGTDL-TZMCWYRMSA-N 0 3 315.841 3.038 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1[O-] ZINC000808702516 626851163 /nfs/dbraw/zinc/85/11/63/626851163.db2.gz YAOCAYZNDPDZHY-SGMGOOAPSA-N 0 3 313.825 3.199 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)c1[O-] ZINC000808706832 626851696 /nfs/dbraw/zinc/85/16/96/626851696.db2.gz VYUVASWAIVIZHU-ADWYPQAOSA-N 0 3 303.855 3.162 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c1[O-] ZINC000808716671 626853310 /nfs/dbraw/zinc/85/33/10/626853310.db2.gz SFDOZBCFNAGTEE-LBPRGKRZSA-N 0 3 320.820 3.212 20 10 DGCDHN COc1cccc(CNCc2cnc(C3CCC3)s2)c1O ZINC000809740224 626944139 /nfs/dbraw/zinc/94/41/39/626944139.db2.gz QHCQDLFAEOKZAS-UHFFFAOYSA-N 0 3 304.415 3.415 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000809749336 626946583 /nfs/dbraw/zinc/94/65/83/626946583.db2.gz MRSFUDXGXWDODN-UHFFFAOYSA-N 0 3 317.408 3.420 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([O-])c1 ZINC000809758689 626948241 /nfs/dbraw/zinc/94/82/41/626948241.db2.gz TXVYTQMQRBFDGZ-CVEARBPZSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([O-])c1 ZINC000809758689 626948244 /nfs/dbraw/zinc/94/82/44/626948244.db2.gz TXVYTQMQRBFDGZ-CVEARBPZSA-N 0 3 319.445 3.430 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000810170328 626983937 /nfs/dbraw/zinc/98/39/37/626983937.db2.gz IQEGDNANKHMLDL-QGZVFWFLSA-N 0 3 319.426 3.040 20 10 DGCDHN CC[C@@H]([NH2+]CCCN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208567 626988391 /nfs/dbraw/zinc/98/83/91/626988391.db2.gz WLYMYJQEEYQKNZ-CYBMUJFWSA-N 0 3 304.356 3.403 20 10 DGCDHN CCN(CC)c1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000135909794 627012193 /nfs/dbraw/zinc/01/21/93/627012193.db2.gz DKWJSAFSEYYLCN-OAQYLSRUSA-N 0 3 324.468 3.456 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1ccccc1[O-] ZINC000886771137 627202977 /nfs/dbraw/zinc/20/29/77/627202977.db2.gz CRBNQHLPGZWRBU-ZFHCCXERSA-N 0 3 305.418 3.015 20 10 DGCDHN COc1ccc(CNCc2cc3ccccc3n(C)c2=O)cc1C ZINC000813789788 627512037 /nfs/dbraw/zinc/51/20/37/627512037.db2.gz CXQMXTCVSNMZMX-UHFFFAOYSA-N 0 3 322.408 3.145 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000813796710 627512795 /nfs/dbraw/zinc/51/27/95/627512795.db2.gz DXPPPGNHUFDSJL-QGZVFWFLSA-N 0 3 321.804 3.268 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000815083369 627624344 /nfs/dbraw/zinc/62/43/44/627624344.db2.gz OIXRALKKSVCWOL-DOTOQJQBSA-N 0 3 303.377 3.176 20 10 DGCDHN CN1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815576537 627686077 /nfs/dbraw/zinc/68/60/77/627686077.db2.gz SHYCMXCRKFBHHF-PKOBYXMFSA-N 0 3 310.441 3.360 20 10 DGCDHN COc1ccncc1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815629234 627692851 /nfs/dbraw/zinc/69/28/51/627692851.db2.gz XSXQTWKWHNJKTA-GWCFXTLKSA-N 0 3 302.349 3.273 20 10 DGCDHN COc1ccncc1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000815629236 627693034 /nfs/dbraw/zinc/69/30/34/627693034.db2.gz XSXQTWKWHNJKTA-MFKMUULPSA-N 0 3 302.349 3.273 20 10 DGCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000815632894 627693054 /nfs/dbraw/zinc/69/30/54/627693054.db2.gz AYVKFNURSSGYLG-OBJOEFQTSA-N 0 3 322.424 3.222 20 10 DGCDHN Cc1nccnc1CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000815651065 627695003 /nfs/dbraw/zinc/69/50/03/627695003.db2.gz JCAPRSXHFWRGGE-YGRLFVJLSA-N 0 3 301.365 3.010 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000925777871 627793657 /nfs/dbraw/zinc/79/36/57/627793657.db2.gz RGYSPTAYRLMUKL-GWCFXTLKSA-N 0 3 318.795 3.331 20 10 DGCDHN CC[C@@H]([NH2+]CCCNCc1cccnc1)c1ccc(C)cc1[O-] ZINC000817942231 627968572 /nfs/dbraw/zinc/96/85/72/627968572.db2.gz ZJISBKDTUAAZSN-GOSISDBHSA-N 0 3 313.445 3.316 20 10 DGCDHN C[C@@H]([NH2+]CCCNCc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000817941310 627969070 /nfs/dbraw/zinc/96/90/70/627969070.db2.gz RZPURIDVKJTJFP-CYBMUJFWSA-N 0 3 319.836 3.271 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1[O-] ZINC000817948875 627971397 /nfs/dbraw/zinc/97/13/97/627971397.db2.gz FDHANRQFOUPTRQ-MNOVXSKESA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1[O-] ZINC000817948875 627971402 /nfs/dbraw/zinc/97/14/02/627971402.db2.gz FDHANRQFOUPTRQ-MNOVXSKESA-N 0 3 302.340 3.204 20 10 DGCDHN CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000817980114 627982367 /nfs/dbraw/zinc/98/23/67/627982367.db2.gz IUUILYBMZUXUKA-AAEUAGOBSA-N 0 3 304.768 3.084 20 10 DGCDHN C[C@H]([NH2+]CCCNC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984367 627983421 /nfs/dbraw/zinc/98/34/21/627983421.db2.gz RHFMFSKBWCSKLQ-VIFPVBQESA-N 0 3 303.233 3.492 20 10 DGCDHN CCO[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])CN(C)C ZINC000926965053 627990408 /nfs/dbraw/zinc/99/04/08/627990408.db2.gz ZWEGWFBGTHJFBH-GOEBONIOSA-N 0 3 316.445 3.163 20 10 DGCDHN COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccccc3[O-])C2)cc1 ZINC000818220849 628006237 /nfs/dbraw/zinc/00/62/37/628006237.db2.gz NAXCCVHGEOASAD-HNNXBMFYSA-N 0 3 312.413 3.017 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)c2c1c(F)ccc2[O-] ZINC000927100735 628013961 /nfs/dbraw/zinc/01/39/61/628013961.db2.gz JBLWBGWAHCOYNO-MEBBXXQBSA-N 0 3 315.392 3.480 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)c2c1c(F)ccc2[O-] ZINC000927100736 628014005 /nfs/dbraw/zinc/01/40/05/628014005.db2.gz JBLWBGWAHCOYNO-ZUZCIYMTSA-N 0 3 315.392 3.480 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000927154831 628027316 /nfs/dbraw/zinc/02/73/16/628027316.db2.gz DTKOZWIGSPKSSV-MDYRTPRTSA-N 0 3 311.425 3.444 20 10 DGCDHN CCn1nnc(C)c1CN(Cc1ccccc1O)C1CCCC1 ZINC000823447834 628563893 /nfs/dbraw/zinc/56/38/93/628563893.db2.gz NXEUTERCUCQQND-UHFFFAOYSA-N 0 3 314.433 3.257 20 10 DGCDHN CCn1nnc(C)c1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000823447834 628563895 /nfs/dbraw/zinc/56/38/95/628563895.db2.gz NXEUTERCUCQQND-UHFFFAOYSA-N 0 3 314.433 3.257 20 10 DGCDHN CCn1nnc(C)c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000823447834 628563899 /nfs/dbraw/zinc/56/38/99/628563899.db2.gz NXEUTERCUCQQND-UHFFFAOYSA-N 0 3 314.433 3.257 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CCC(C)(F)F)c1[O-] ZINC000824483860 628664462 /nfs/dbraw/zinc/66/44/62/628664462.db2.gz VWGQOSREXMKQFT-UHFFFAOYSA-N 0 3 324.165 3.298 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824715518 628686238 /nfs/dbraw/zinc/68/62/38/628686238.db2.gz LDGNIECBXXPLRB-ARFHVFGLSA-N 0 3 309.837 3.479 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824715518 628686243 /nfs/dbraw/zinc/68/62/43/628686243.db2.gz LDGNIECBXXPLRB-ARFHVFGLSA-N 0 3 309.837 3.479 20 10 DGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733446 628688171 /nfs/dbraw/zinc/68/81/71/628688171.db2.gz TVZPUVCFPAXGIZ-UHFFFAOYSA-N 0 3 324.396 3.019 20 10 DGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733446 628688174 /nfs/dbraw/zinc/68/81/74/628688174.db2.gz TVZPUVCFPAXGIZ-UHFFFAOYSA-N 0 3 324.396 3.019 20 10 DGCDHN C[C@@H]1CN(Cc2ccccc2)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000824976531 628712545 /nfs/dbraw/zinc/71/25/45/628712545.db2.gz BVQQDCLIJLVWDL-QGZVFWFLSA-N 0 3 310.441 3.346 20 10 DGCDHN C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000824976531 628712548 /nfs/dbraw/zinc/71/25/48/628712548.db2.gz BVQQDCLIJLVWDL-QGZVFWFLSA-N 0 3 310.441 3.346 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](CO)CC(C)(C)C)c1[O-] ZINC000825041024 628720159 /nfs/dbraw/zinc/72/01/59/628720159.db2.gz YZJVPIMOPQKTKA-ZDUSSCGKSA-N 0 3 315.841 3.283 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)c1[O-] ZINC000825041024 628720161 /nfs/dbraw/zinc/72/01/61/628720161.db2.gz YZJVPIMOPQKTKA-ZDUSSCGKSA-N 0 3 315.841 3.283 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]Cc2c(C3CC3)cnn2C)c1[O-] ZINC000827252067 628941921 /nfs/dbraw/zinc/94/19/21/628941921.db2.gz VRYCHLAZITYXHV-UHFFFAOYSA-N 0 3 305.809 3.255 20 10 DGCDHN CCOc1cccc(CN2CCc3cc(OC)ccc3C2)c1O ZINC000827304950 628947171 /nfs/dbraw/zinc/94/71/71/628947171.db2.gz KJSLXURQGHYFHZ-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000827812524 628993776 /nfs/dbraw/zinc/99/37/76/628993776.db2.gz OOHSBQPZEYXRKG-JCNLHEQBSA-N 0 3 311.381 3.100 20 10 DGCDHN Cc1ccc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2=O)cc1 ZINC000834668240 629752536 /nfs/dbraw/zinc/75/25/36/629752536.db2.gz IXTNSKFOMBTWNA-DLBZAZTESA-N 0 3 322.408 3.083 20 10 DGCDHN CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC000834692672 629759176 /nfs/dbraw/zinc/75/91/76/629759176.db2.gz GVEYPYHUVFAAHH-IRXDYDNUSA-N 0 3 322.408 3.467 20 10 DGCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834844999 629789219 /nfs/dbraw/zinc/78/92/19/629789219.db2.gz XLBRABQVVSWGOR-NEPJUHHUSA-N 0 3 303.324 3.327 20 10 DGCDHN CO[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])Cc1ccccc1 ZINC000834857054 629791740 /nfs/dbraw/zinc/79/17/40/629791740.db2.gz YLDBOEYZJBXBFF-CZUORRHYSA-N 0 3 303.377 3.440 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])[C@H](C)O ZINC000834888257 629798411 /nfs/dbraw/zinc/79/84/11/629798411.db2.gz NZTVRUZGHUKVJU-KWBADKCTSA-N 0 3 316.239 3.273 20 10 DGCDHN COCC(COC)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834893790 629800281 /nfs/dbraw/zinc/80/02/81/629800281.db2.gz XMLXTBHWYDZWTG-CQSZACIVSA-N 0 3 324.440 3.128 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c([O-])c1 ZINC000835066152 629842593 /nfs/dbraw/zinc/84/25/93/629842593.db2.gz OYJGIMISDOEXGO-GOSISDBHSA-N 0 3 321.461 3.458 20 10 DGCDHN COC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000102675100 630195356 /nfs/dbraw/zinc/19/53/56/630195356.db2.gz SKLYYBWLLHDFRS-UHFFFAOYSA-N 0 3 312.413 3.171 20 10 DGCDHN Cc1cc(O)c(CNc2cc(CN(C)C)ccn2)c(Cl)c1 ZINC000840881116 630371806 /nfs/dbraw/zinc/37/18/06/630371806.db2.gz XLCZDLYCRDNEQU-UHFFFAOYSA-N 0 3 305.809 3.423 20 10 DGCDHN Cc1occc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000840907230 630375839 /nfs/dbraw/zinc/37/58/39/630375839.db2.gz AXAZAINTIAUHEN-QGZVFWFLSA-N 0 3 301.386 3.475 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1ccc(F)cc1 ZINC000840934543 630380887 /nfs/dbraw/zinc/38/08/87/630380887.db2.gz SAAPRDFPPCPGFK-SFHVURJKSA-N 0 3 302.393 3.023 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000840948256 630382511 /nfs/dbraw/zinc/38/25/11/630382511.db2.gz SEVNFSZYLPQLDU-QGZVFWFLSA-N 0 3 318.852 3.358 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c([O-])c1 ZINC000840955986 630384127 /nfs/dbraw/zinc/38/41/27/630384127.db2.gz FSUUFCCIDWKNHR-MJGOQNOKSA-N 0 3 313.397 3.193 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1[O-] ZINC000840964697 630387580 /nfs/dbraw/zinc/38/75/80/630387580.db2.gz ZPLIMLPTZDSKLG-CQSZACIVSA-N 0 3 323.795 3.359 20 10 DGCDHN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841067313 630403895 /nfs/dbraw/zinc/40/38/95/630403895.db2.gz ASPKLALQUFOQGF-INIZCTEOSA-N 0 3 302.805 3.022 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2cccc3c2CCCN3)c([O-])c1 ZINC000841083449 630406313 /nfs/dbraw/zinc/40/63/13/630406313.db2.gz PNXSUPXYEHXBNC-UHFFFAOYSA-N 0 3 312.413 3.439 20 10 DGCDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841298323 630424576 /nfs/dbraw/zinc/42/45/76/630424576.db2.gz ADTBJRFFWLMIBO-IUODEOHRSA-N 0 3 316.405 3.113 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000841760361 630462740 /nfs/dbraw/zinc/46/27/40/630462740.db2.gz UPAJBVRBWQROKJ-UDZFHETQSA-N 0 3 314.223 3.027 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1[O-] ZINC000841761738 630463320 /nfs/dbraw/zinc/46/33/20/630463320.db2.gz KLNYNFXAJKXEAT-ZYHUDNBSSA-N 0 3 318.795 3.344 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)c2c1c(F)ccc2[O-] ZINC000841765369 630463764 /nfs/dbraw/zinc/46/37/64/630463764.db2.gz RCBXEVXYDDIVRJ-FOGDFJRCSA-N 0 3 314.351 3.009 20 10 DGCDHN CCOc1ccc(CN[C@@H](CCO)c2ccccc2F)c(O)c1 ZINC000842763581 630573467 /nfs/dbraw/zinc/57/34/67/630573467.db2.gz OGCYVDSTVCNGLL-KRWDZBQOSA-N 0 3 319.376 3.143 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c2c1c(F)ccc2[O-] ZINC000842885796 630589744 /nfs/dbraw/zinc/58/97/44/630589744.db2.gz PIFZSSQSHLQTEG-RTXFEEFZSA-N 0 3 320.408 3.069 20 10 DGCDHN C[C@H](N[C@H](CCO)c1ccccc1F)c1cc(F)ccc1O ZINC000842922352 630593597 /nfs/dbraw/zinc/59/35/97/630593597.db2.gz BNFVLKKGPBWXOO-MEDUHNTESA-N 0 3 307.340 3.445 20 10 DGCDHN [O-]c1ccc(F)cc1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000843053290 630608731 /nfs/dbraw/zinc/60/87/31/630608731.db2.gz TXVPZLJMMLMIQF-SFHVURJKSA-N 0 3 314.404 3.286 20 10 DGCDHN [NH3+]CCCN(Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000843107220 630614589 /nfs/dbraw/zinc/61/45/89/630614589.db2.gz CLUGJUBDFNVPNB-UHFFFAOYSA-N 0 3 304.821 3.397 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000843417081 630654304 /nfs/dbraw/zinc/65/43/04/630654304.db2.gz OWYDAMCQMQWXSM-WBVHZDCISA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000843417081 630654307 /nfs/dbraw/zinc/65/43/07/630654307.db2.gz OWYDAMCQMQWXSM-WBVHZDCISA-N 0 3 305.418 3.182 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCS[C@H]2C)c1[O-] ZINC000843435200 630658742 /nfs/dbraw/zinc/65/87/42/630658742.db2.gz RBFWGAAXZDVSPV-JOYOIKCWSA-N 0 3 316.264 3.447 20 10 DGCDHN CCOc1ccc(CN2C[C@H](C)OC3(CCCC3)C2)c(O)c1 ZINC000843435918 630658972 /nfs/dbraw/zinc/65/89/72/630658972.db2.gz ZQWYVIHWQJUWJK-AWEZNQCLSA-N 0 3 305.418 3.324 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c([O-])c1 ZINC000843435918 630658976 /nfs/dbraw/zinc/65/89/76/630658976.db2.gz ZQWYVIHWQJUWJK-AWEZNQCLSA-N 0 3 305.418 3.324 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c([O-])c1 ZINC000843435918 630658977 /nfs/dbraw/zinc/65/89/77/630658977.db2.gz ZQWYVIHWQJUWJK-AWEZNQCLSA-N 0 3 305.418 3.324 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CNc3ccccc3C2)c1[O-] ZINC000844907378 630975487 /nfs/dbraw/zinc/97/54/87/630975487.db2.gz IYABFLNZWLWOMH-OAHLLOKOSA-N 0 3 302.805 3.480 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c([O-])c1 ZINC000845972648 631204440 /nfs/dbraw/zinc/20/44/40/631204440.db2.gz QQLABBUKOAWUQY-GFCCVEGCSA-N 0 3 317.385 3.356 20 10 DGCDHN COc1ccc(F)c(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000845973283 631204451 /nfs/dbraw/zinc/20/44/51/631204451.db2.gz YEYXSJISHZMNAY-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccccc1[O-] ZINC000846012377 631206024 /nfs/dbraw/zinc/20/60/24/631206024.db2.gz YXGTUBBNQRGTIN-UYAOXDASSA-N 0 3 311.425 3.309 20 10 DGCDHN COc1cccc([C@H](C)N[C@H](C)c2ccncc2OC)c1O ZINC000846164102 631212961 /nfs/dbraw/zinc/21/29/61/631212961.db2.gz MQAOFTAQKAMFFG-NEPJUHHUSA-N 0 3 302.374 3.216 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000848568144 631695999 /nfs/dbraw/zinc/69/59/99/631695999.db2.gz ZKEATWMGWUGNCX-XHHZUUQWSA-N 0 3 308.425 3.014 20 10 DGCDHN CCc1cccc(CNCc2c(C)cc(C)nc2OC)c1O ZINC000848896303 631776471 /nfs/dbraw/zinc/77/64/71/631776471.db2.gz YFRPSQMTWQAPDJ-UHFFFAOYSA-N 0 3 300.402 3.265 20 10 DGCDHN CCc1cccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000848920066 631787589 /nfs/dbraw/zinc/78/75/89/631787589.db2.gz WSOFSLPQOUEKCD-SJKOYZFVSA-N 0 3 303.377 3.305 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCCCO1 ZINC000848928016 631792691 /nfs/dbraw/zinc/79/26/91/631792691.db2.gz UETBHCFYEKCMMF-KGLIPLIRSA-N 0 3 313.825 3.492 20 10 DGCDHN COc1cc(CN[C@@H](C)c2cn[nH]c2)c(O)c(C(C)(C)C)c1 ZINC000850226602 632086225 /nfs/dbraw/zinc/08/62/25/632086225.db2.gz QVJHUHNBXSRGRX-NSHDSACASA-N 0 3 303.406 3.272 20 10 DGCDHN CC(C)(C)[N@@H+]1CC[C@@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000850351932 632121762 /nfs/dbraw/zinc/12/17/62/632121762.db2.gz XISIXWGMWZLNSP-SNVBAGLBSA-N 0 3 300.805 3.147 20 10 DGCDHN CC(C)(C)[N@H+]1CC[C@@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000850351932 632121764 /nfs/dbraw/zinc/12/17/64/632121764.db2.gz XISIXWGMWZLNSP-SNVBAGLBSA-N 0 3 300.805 3.147 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)c2c1c(F)ccc2[O-] ZINC000850521245 632178037 /nfs/dbraw/zinc/17/80/37/632178037.db2.gz RZPLKHXSAKPTGX-HLUHBDAQSA-N 0 3 301.308 3.093 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1[O-] ZINC000850520871 632178340 /nfs/dbraw/zinc/17/83/40/632178340.db2.gz HWRGGOMVHRMPGK-JOYOIKCWSA-N 0 3 305.752 3.429 20 10 DGCDHN Cc1cncc(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC000850549450 632189006 /nfs/dbraw/zinc/18/90/06/632189006.db2.gz GSKMGXYLLKVWSZ-HZMBPMFUSA-N 0 3 301.365 3.010 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1[O-] ZINC000850555415 632192100 /nfs/dbraw/zinc/19/21/00/632192100.db2.gz IFDJQNHWLGJIII-DZGCQCFKSA-N 0 3 304.434 3.080 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000850557943 632192620 /nfs/dbraw/zinc/19/26/20/632192620.db2.gz ORZLOYSSXWENSJ-GOEBONIOSA-N 0 3 318.461 3.388 20 10 DGCDHN NC(=O)c1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000109797471 632319195 /nfs/dbraw/zinc/31/91/95/632319195.db2.gz AZGDSNSZFKWOFW-UHFFFAOYSA-N 0 3 324.424 3.436 20 10 DGCDHN NC(=O)c1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000109797471 632319198 /nfs/dbraw/zinc/31/91/98/632319198.db2.gz AZGDSNSZFKWOFW-UHFFFAOYSA-N 0 3 324.424 3.436 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000851792102 632494027 /nfs/dbraw/zinc/49/40/27/632494027.db2.gz KTMVVQTVYVHIRJ-HYVNUMGLSA-N 0 3 316.445 3.052 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000851792102 632494031 /nfs/dbraw/zinc/49/40/31/632494031.db2.gz KTMVVQTVYVHIRJ-HYVNUMGLSA-N 0 3 316.445 3.052 20 10 DGCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CNC(=O)C1 ZINC000851879878 632513814 /nfs/dbraw/zinc/51/38/14/632513814.db2.gz QDBAUNMQBUSBRV-HZPDHXFCSA-N 0 3 324.424 3.092 20 10 DGCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CNC(=O)C1 ZINC000851879878 632513819 /nfs/dbraw/zinc/51/38/19/632513819.db2.gz QDBAUNMQBUSBRV-HZPDHXFCSA-N 0 3 324.424 3.092 20 10 DGCDHN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184916551 660195062 /nfs/dbraw/zinc/19/50/62/660195062.db2.gz PURKTUOSKWWVEK-NSHDSACASA-N 0 3 302.349 3.341 20 10 DGCDHN CN(Cc1ccccc1)[C@@H](C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000185222677 660208841 /nfs/dbraw/zinc/20/88/41/660208841.db2.gz IHJJEPVIGNQVSF-IBGZPJMESA-N 0 3 310.441 3.392 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)CC2CCCCC2)c([O-])c1 ZINC000186033230 660262102 /nfs/dbraw/zinc/26/21/02/660262102.db2.gz ULQCDTKAOUTWJA-HNNXBMFYSA-N 0 3 318.461 3.438 20 10 DGCDHN COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793385564 661028831 /nfs/dbraw/zinc/02/88/31/661028831.db2.gz BXSJDLQJANNEGA-CYBMUJFWSA-N 0 3 301.386 3.130 20 10 DGCDHN COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793385565 661028933 /nfs/dbraw/zinc/02/89/33/661028933.db2.gz BXSJDLQJANNEGA-ZDUSSCGKSA-N 0 3 301.386 3.130 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)c([O-])c1 ZINC000793386778 661029188 /nfs/dbraw/zinc/02/91/88/661029188.db2.gz ZMZMSJYFPQKNCS-UHFFFAOYSA-N 0 3 313.397 3.479 20 10 DGCDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)c([O-])c1 ZINC000793390849 661029548 /nfs/dbraw/zinc/02/95/48/661029548.db2.gz SAJLTKIDPJKONN-UHFFFAOYSA-N 0 3 309.369 3.081 20 10 DGCDHN CCN(Cc1cccc(C)c1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793604485 661049269 /nfs/dbraw/zinc/04/92/69/661049269.db2.gz LJCRHMHZOBQFMM-UHFFFAOYSA-N 0 3 320.433 3.142 20 10 DGCDHN COc1cc(C)cc(CN2Cc3ccccc3O[C@H](C)C2)c1O ZINC000793778176 661056980 /nfs/dbraw/zinc/05/69/80/661056980.db2.gz BEUNDUWFNMQVLO-CQSZACIVSA-N 0 3 313.397 3.492 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(C)cc1[O-] ZINC000794795049 661105557 /nfs/dbraw/zinc/10/55/57/661105557.db2.gz GMSCUWMDIDYFCQ-KRWDZBQOSA-N 0 3 312.413 3.301 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(C)cc1[O-] ZINC000794795052 661105561 /nfs/dbraw/zinc/10/55/61/661105561.db2.gz GMSCUWMDIDYFCQ-QGZVFWFLSA-N 0 3 312.413 3.301 20 10 DGCDHN CC[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794802978 661106308 /nfs/dbraw/zinc/10/63/08/661106308.db2.gz OYJYUSDNPVXCMJ-WBVHZDCISA-N 0 3 307.434 3.185 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000794802338 661106372 /nfs/dbraw/zinc/10/63/72/661106372.db2.gz DZWTXDVAJCKNRY-JSGCOSHPSA-N 0 3 316.367 3.378 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC000176985397 655885800 /nfs/dbraw/zinc/88/58/00/655885800.db2.gz MPBLSABUNJLDLM-MNOVXSKESA-N 0 3 317.364 3.434 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)CN2CCCC2)c1[O-] ZINC000308629155 656061359 /nfs/dbraw/zinc/06/13/59/656061359.db2.gz YYEIVWVAYNMFTH-UHFFFAOYSA-N 0 3 312.841 3.018 20 10 DGCDHN CC1(C)CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000184669550 656120681 /nfs/dbraw/zinc/12/06/81/656120681.db2.gz JSVVYAQRKGQHRZ-DLBZAZTESA-N 0 3 319.445 3.331 20 10 DGCDHN CC1(C)CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000184669550 656120685 /nfs/dbraw/zinc/12/06/85/656120685.db2.gz JSVVYAQRKGQHRZ-DLBZAZTESA-N 0 3 319.445 3.331 20 10 DGCDHN C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cc(F)ccc1[O-] ZINC000185452098 656126431 /nfs/dbraw/zinc/12/64/31/656126431.db2.gz UNPAUHYCPHGGBX-GFCCVEGCSA-N 0 3 301.361 3.360 20 10 DGCDHN CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1(C)C ZINC000236853408 656923982 /nfs/dbraw/zinc/92/39/82/656923982.db2.gz SXGIUKFTJVRVGH-DLBZAZTESA-N 0 3 307.434 3.474 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1(CC)CC ZINC000236891508 656961998 /nfs/dbraw/zinc/96/19/98/656961998.db2.gz SQAQWNGWIIWHPU-DLBZAZTESA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000248487060 657029323 /nfs/dbraw/zinc/02/93/23/657029323.db2.gz FWZQUXSFTPKREJ-HZSPNIEDSA-N 0 3 324.440 3.070 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCOCCC(C)C)c1[O-] ZINC000228672614 657999745 /nfs/dbraw/zinc/99/97/45/657999745.db2.gz RJRAIBGQKZLFIA-UHFFFAOYSA-N 0 3 301.814 3.207 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2(CO)CCCCC2)c1[O-] ZINC000228675982 658000088 /nfs/dbraw/zinc/00/00/88/658000088.db2.gz SSZKNEIEIDMCDA-UHFFFAOYSA-N 0 3 313.825 3.087 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCO[C@H](C)[C@@H]3C)c2c1 ZINC000164144671 658919499 /nfs/dbraw/zinc/91/94/99/658919499.db2.gz UEPZTZFAPDKDGX-QWHCGFSZSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCS2)c1[O-] ZINC000228677825 659202949 /nfs/dbraw/zinc/20/29/49/659202949.db2.gz FXTVVIYKBGMGTK-LBPRGKRZSA-N 0 3 301.839 3.430 20 10 DGCDHN COc1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1OC ZINC000323907594 659242367 /nfs/dbraw/zinc/24/23/67/659242367.db2.gz RQVRRRBZWXWJOI-OAHLLOKOSA-N 0 3 313.397 3.229 20 10 DGCDHN C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1ccccc1[O-] ZINC000230406510 659327784 /nfs/dbraw/zinc/32/77/84/659327784.db2.gz UMUYRNWFKBRHOZ-CYBMUJFWSA-N 0 3 320.433 3.490 20 10 DGCDHN CCCN(CC(=O)N(CC(C)C)C1CC1)Cc1ccccc1O ZINC000068973574 659971052 /nfs/dbraw/zinc/97/10/52/659971052.db2.gz ZJCBBWQHNKXNHJ-UHFFFAOYSA-N 0 3 318.461 3.251 20 10 DGCDHN C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccccc1[O-] ZINC000183599595 660125715 /nfs/dbraw/zinc/12/57/15/660125715.db2.gz CRVKZKAYJQVECV-ZDUSSCGKSA-N 0 3 316.376 3.002 20 10 DGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000184280268 660161462 /nfs/dbraw/zinc/16/14/62/660161462.db2.gz LKSLQJOQXFYYNA-UHFFFAOYSA-N 0 3 323.440 3.389 20 10 DGCDHN CCOc1ccc(O)c(CN2CCc3ccc(OC)cc3C2)c1 ZINC000092507733 662332659 /nfs/dbraw/zinc/33/26/59/662332659.db2.gz SMWPVWUIYGMBPM-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@](C)(CO)c2ccccc2)c1[O-] ZINC000389612132 685194582 /nfs/dbraw/zinc/19/45/82/685194582.db2.gz YCAABABUJUQOGQ-KRWDZBQOSA-N 0 3 321.804 3.052 20 10 DGCDHN COc1cc(Cl)cc(CN[C@@](C)(CO)c2ccccc2)c1O ZINC000389612132 685194586 /nfs/dbraw/zinc/19/45/86/685194586.db2.gz YCAABABUJUQOGQ-KRWDZBQOSA-N 0 3 321.804 3.052 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]Cc2cnc(C)cc2C)c1[O-] ZINC000397115069 685228959 /nfs/dbraw/zinc/22/89/59/685228959.db2.gz VYRGXASRTCPTNX-UHFFFAOYSA-N 0 3 306.793 3.356 20 10 DGCDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000398187758 685235612 /nfs/dbraw/zinc/23/56/12/685235612.db2.gz YPNLTPUOXPBHOJ-KBXCAEBGSA-N 0 3 324.428 3.053 20 10 DGCDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000398187762 685235800 /nfs/dbraw/zinc/23/58/00/685235800.db2.gz YPNLTPUOXPBHOJ-KSSFIOAISA-N 0 3 324.428 3.053 20 10 DGCDHN C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])c2cc(F)ccc2C[NH2+]1 ZINC001576807879 1191870247 /nfs/dbraw/zinc/87/02/47/1191870247.db2.gz XCDYKJZLDQCRFY-JTQLQIEISA-N 0 3 322.330 3.308 20 10 DGCDHN [NH3+]C[C@@]12CN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]1CCCC2 ZINC001580256858 1192016724 /nfs/dbraw/zinc/01/67/24/1192016724.db2.gz YNHAUXUQZFHCCC-ZBEGNZNMSA-N 0 3 312.816 3.136 20 10 DGCDHN Nc1ccc(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC001336118826 1178995335 /nfs/dbraw/zinc/99/53/35/1178995335.db2.gz KYKLJAHHVCLTCN-INIZCTEOSA-N 0 3 308.784 3.275 20 10 DGCDHN Nc1ccc(CNCc2ccc(N3CCCCCC3)nc2)cc1 ZINC001345160806 1179535461 /nfs/dbraw/zinc/53/54/61/1179535461.db2.gz ZDGYWVCVNWRLAQ-UHFFFAOYSA-N 0 3 310.445 3.334 20 10 DGCDHN Nc1ccc(CN2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC001345159832 1179535775 /nfs/dbraw/zinc/53/57/75/1179535775.db2.gz NUQQVVQGHNIBKN-UHFFFAOYSA-N 0 3 300.377 3.451 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@H]1c2ccccc2C[C@H]1O ZINC001461127756 1182771958 /nfs/dbraw/zinc/77/19/58/1182771958.db2.gz DSDVNXLEAKKQQZ-UXHICEINSA-N 0 3 306.409 3.235 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@H]2CC(C)(C)OC2(C)C)cc1F ZINC001461387482 1182804641 /nfs/dbraw/zinc/80/46/41/1182804641.db2.gz LTWRFYBNWBSQGR-HNNXBMFYSA-N 0 3 312.404 3.467 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)CCCC(=O)OC(C)(C)C)c([O-])c1 ZINC001462635722 1182978845 /nfs/dbraw/zinc/97/88/45/1182978845.db2.gz FPLFPQFLKLNZSS-UHFFFAOYSA-N 0 3 323.433 3.263 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)CCCC(=O)OC(C)(C)C)c([O-])c1 ZINC001462635722 1182978848 /nfs/dbraw/zinc/97/88/48/1182978848.db2.gz FPLFPQFLKLNZSS-UHFFFAOYSA-N 0 3 323.433 3.263 20 10 DGCDHN COC[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C(C)C ZINC001473262353 1183737307 /nfs/dbraw/zinc/73/73/07/1183737307.db2.gz WSWTUWVQTAUJFO-MSOLQXFVSA-N 0 3 321.461 3.292 20 10 DGCDHN COC[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C(C)C ZINC001473262353 1183737310 /nfs/dbraw/zinc/73/73/10/1183737310.db2.gz WSWTUWVQTAUJFO-MSOLQXFVSA-N 0 3 321.461 3.292 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccccc1O)C(=O)c1c[nH]c2ncccc12 ZINC001473723721 1183793329 /nfs/dbraw/zinc/79/33/29/1183793329.db2.gz JHYMFZXPVSFJBN-NWDGAFQWSA-N 0 3 309.369 3.191 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)c1c[nH]c2ncccc12 ZINC001473723721 1183793333 /nfs/dbraw/zinc/79/33/33/1183793333.db2.gz JHYMFZXPVSFJBN-NWDGAFQWSA-N 0 3 309.369 3.191 20 10 DGCDHN CO[C@@]1(C)C[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001474022520 1183852972 /nfs/dbraw/zinc/85/29/72/1183852972.db2.gz XQYZTRBRERCVJC-WBVHZDCISA-N 0 3 312.404 3.324 20 10 DGCDHN C[C@H](NCc1cc(-c2ccccn2)n[nH]1)c1ccc(N(C)C)cc1 ZINC001474116684 1183870050 /nfs/dbraw/zinc/87/00/50/1183870050.db2.gz CDGSXYXPAJOJOF-AWEZNQCLSA-N 0 3 321.428 3.389 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)CC2(O)CCCCCC2)c([O-])c1 ZINC001474461920 1183925768 /nfs/dbraw/zinc/92/57/68/1183925768.db2.gz XSIBZNHRNQJNBG-UHFFFAOYSA-N 0 3 307.434 3.226 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)CC2(O)CCCCCC2)c([O-])c1 ZINC001474461920 1183925770 /nfs/dbraw/zinc/92/57/70/1183925770.db2.gz XSIBZNHRNQJNBG-UHFFFAOYSA-N 0 3 307.434 3.226 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c([O-])c1 ZINC001474497818 1183931645 /nfs/dbraw/zinc/93/16/45/1183931645.db2.gz WMXFRKNGLHMGOS-UZLBHIALSA-N 0 3 313.441 3.420 20 10 DGCDHN CCCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001616867274 1193549721 /nfs/dbraw/zinc/54/97/21/1193549721.db2.gz SVESEHSZNREXQW-KRWDZBQOSA-N 0 3 319.493 3.298 20 10 DGCDHN CCCN(C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001557887225 1189091142 /nfs/dbraw/zinc/09/11/42/1189091142.db2.gz GHJSCBDAGKQBFG-UHFFFAOYSA-N 0 3 313.445 3.052 20 10 DGCDHN C[C@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC001620505410 1193774187 /nfs/dbraw/zinc/77/41/87/1193774187.db2.gz YYBYMOYZNGQZSO-ZDUSSCGKSA-N 0 3 309.369 3.336 20 10 DGCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(C)C ZINC001621122153 1193806143 /nfs/dbraw/zinc/80/61/43/1193806143.db2.gz UCTFKECKKBKKLU-DLBZAZTESA-N 0 3 307.434 3.345 20 10 DGCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(C)C ZINC001621122153 1193806148 /nfs/dbraw/zinc/80/61/48/1193806148.db2.gz UCTFKECKKBKKLU-DLBZAZTESA-N 0 3 307.434 3.345 20 10 DGCDHN CC[C@@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001621135149 1193807217 /nfs/dbraw/zinc/80/72/17/1193807217.db2.gz GJUGWQAGYRUXEO-GFCCVEGCSA-N 0 3 318.392 3.336 20 10 DGCDHN Cc1ccc(CN2CCCN(C(=O)OCC(C)C)CC2)c(O)c1 ZINC001621150148 1193809524 /nfs/dbraw/zinc/80/95/24/1193809524.db2.gz IEDAQQWSQFTWLH-UHFFFAOYSA-N 0 3 320.433 3.001 20 10 DGCDHN COc1cc(C)c(CN[C@@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC001621422857 1193840859 /nfs/dbraw/zinc/84/08/59/1193840859.db2.gz FXVFWRAGMFUHFI-KZULUSFZSA-N 0 3 319.376 3.060 20 10 DGCDHN COc1cc(C)c(CN[C@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC001621422858 1193841489 /nfs/dbraw/zinc/84/14/89/1193841489.db2.gz FXVFWRAGMFUHFI-SGTLLEGYSA-N 0 3 319.376 3.060 20 10 DGCDHN Cc1ccc(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001621451608 1193844761 /nfs/dbraw/zinc/84/47/61/1193844761.db2.gz YWEFCJDZVAUBED-SFHVURJKSA-N 0 3 320.433 3.190 20 10 DGCDHN COc1ccc(N2CCN(CC3CC(C)(C)C3)CC2)c(OC)c1 ZINC001648087700 1195275657 /nfs/dbraw/zinc/27/56/57/1195275657.db2.gz QQKUQPRFAXQUQH-UHFFFAOYSA-N 0 3 318.461 3.262 20 10 DGCDHN CC(C)c1ccc(O)c(CN2CCCC[C@@H]2C2OCCO2)c1 ZINC001651731039 1195502617 /nfs/dbraw/zinc/50/26/17/1195502617.db2.gz MVCPJCVPVBQFSZ-MRXNPFEDSA-N 0 3 305.418 3.243 20 10 DGCDHN Cc1ccc(F)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC001656955442 1196087208 /nfs/dbraw/zinc/08/72/08/1196087208.db2.gz YPNPDNVEEANBCJ-UHFFFAOYSA-N 0 3 314.404 3.261 20 10 DGCDHN [NH3+]CCCN(Cc1cc(F)c(F)cc1[O-])c1cccc(F)c1 ZINC001658582202 1196276329 /nfs/dbraw/zinc/27/63/29/1196276329.db2.gz NOOQNAKHKWXFDM-UHFFFAOYSA-N 0 3 310.319 3.165 20 10 DGCDHN Cc1cccc(CN2CCN(Cc3ccc(C)cc3O)CC2)c1 ZINC001659259660 1196364179 /nfs/dbraw/zinc/36/41/79/1196364179.db2.gz WTNJOZOAFHHPTE-UHFFFAOYSA-N 0 3 310.441 3.327 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H]2CSc3ccccc3O2)c([O-])c1 ZINC001659535437 1196392949 /nfs/dbraw/zinc/39/29/49/1196392949.db2.gz XDAXZLMUDBWDNB-AWEZNQCLSA-N 0 3 301.411 3.344 20 10 DGCDHN CC(C)[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC001659542885 1196393620 /nfs/dbraw/zinc/39/36/20/1196393620.db2.gz UEVNFEOHTDNGIF-CQSZACIVSA-N 0 3 311.397 3.235 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC2(O)CCC(C)(C)CC2)c([O-])c1 ZINC001659721366 1196408986 /nfs/dbraw/zinc/40/89/86/1196408986.db2.gz DTUCOTRRLSHXLT-UHFFFAOYSA-N 0 3 307.434 3.130 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCC23CCOCC3)c([O-])c1 ZINC001659858461 1196421804 /nfs/dbraw/zinc/42/18/04/1196421804.db2.gz DGAOXKSDOPGLFI-AWEZNQCLSA-N 0 3 305.418 3.006 20 10 DGCDHN CCN(CC)CC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001660261733 1196463880 /nfs/dbraw/zinc/46/38/80/1196463880.db2.gz HPWDKKAWZKDILO-LLVKDONJSA-N 0 3 302.821 3.395 20 10 DGCDHN C[C@H]1C[C@H](C)C[NH+](CCCNCc2cc(F)cc(F)c2[O-])C1 ZINC001660944792 1196544074 /nfs/dbraw/zinc/54/40/74/1196544074.db2.gz JDSQYVLLPBTTIV-STQMWFEESA-N 0 3 312.404 3.128 20 10 DGCDHN CC(C)c1ccc(O)c(CN(CCCO)Cc2ccccn2)c1 ZINC001664600887 1197019936 /nfs/dbraw/zinc/01/99/36/1197019936.db2.gz QCWRWALQIVYMHJ-UHFFFAOYSA-N 0 3 314.429 3.295 20 10 DGCDHN CC(C)C1(O)CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001665901106 1197213851 /nfs/dbraw/zinc/21/38/51/1197213851.db2.gz MWVFJJAPSYNABG-WAYWQWQTSA-N 0 3 302.462 3.249 20 10 DGCDHN COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000155186087 1202598510 /nfs/dbraw/zinc/59/85/10/1202598510.db2.gz UDRMBPBPQNPJOE-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000155186087 1202598511 /nfs/dbraw/zinc/59/85/11/1202598511.db2.gz UDRMBPBPQNPJOE-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1ccc(CNC2(CNC(=O)CCC(C)C)CC2)cc1C ZINC001716675029 1203522819 /nfs/dbraw/zinc/52/28/19/1203522819.db2.gz WLCSWNIGIAFFEC-UHFFFAOYSA-N 0 3 318.461 3.178 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169781637 1081653900 /nfs/dbraw/zinc/65/39/00/1081653900.db2.gz GPTUWUWYZAHRHZ-SFHVURJKSA-N 0 3 324.424 3.129 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169781637 1081653905 /nfs/dbraw/zinc/65/39/05/1081653905.db2.gz GPTUWUWYZAHRHZ-SFHVURJKSA-N 0 3 324.424 3.129 20 10 DGCDHN CN(C)c1ccc(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)c(Cl)c1 ZINC001140927228 1083189158 /nfs/dbraw/zinc/18/91/58/1083189158.db2.gz JXFQWTBSEHVNAW-SWLSCSKDSA-N 0 3 306.837 3.207 20 10 DGCDHN CCN(Cc1ccc(COC(C)=O)o1)Cc1ccccc1O ZINC001141791908 1086436529 /nfs/dbraw/zinc/43/65/29/1086436529.db2.gz IHQBCKJQKYUHKT-UHFFFAOYSA-N 0 3 303.358 3.070 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c([O-])c1 ZINC000093593835 1087141632 /nfs/dbraw/zinc/14/16/32/1087141632.db2.gz GLGWDMMURDGFPJ-AWEZNQCLSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c([O-])c1 ZINC000093593835 1087141634 /nfs/dbraw/zinc/14/16/34/1087141634.db2.gz GLGWDMMURDGFPJ-AWEZNQCLSA-N 0 3 313.397 3.399 20 10 DGCDHN CC[C@@H](C)N1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619038 1088324953 /nfs/dbraw/zinc/32/49/53/1088324953.db2.gz QQZPYXFTFCSIFD-OAHLLOKOSA-N 0 3 316.445 3.005 20 10 DGCDHN CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214130 1088709713 /nfs/dbraw/zinc/70/97/13/1088709713.db2.gz QJICGBZQINHIKP-QWHCGFSZSA-N 0 3 303.233 3.401 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+](CCO)Cc2cccs2)c1[O-] ZINC001237687764 1090317716 /nfs/dbraw/zinc/31/77/16/1090317716.db2.gz URYBYPWPULHUHO-UHFFFAOYSA-N 0 3 311.834 3.410 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+](CCO)Cc2cccs2)c1[O-] ZINC001237687764 1090317722 /nfs/dbraw/zinc/31/77/22/1090317722.db2.gz URYBYPWPULHUHO-UHFFFAOYSA-N 0 3 311.834 3.410 20 10 DGCDHN Cc1cc(Cl)cc(CN(CCO)Cc2cccs2)c1O ZINC001237687764 1090317729 /nfs/dbraw/zinc/31/77/29/1090317729.db2.gz URYBYPWPULHUHO-UHFFFAOYSA-N 0 3 311.834 3.410 20 10 DGCDHN COc1ccc(CC[N@H+](C)Cc2ccccc2[O-])cc1OC ZINC001203546900 1090751986 /nfs/dbraw/zinc/75/19/86/1090751986.db2.gz BTFFWNWMFBESCJ-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COc1ccc(CC[N@@H+](C)Cc2ccccc2[O-])cc1OC ZINC001203546900 1090751988 /nfs/dbraw/zinc/75/19/88/1090751988.db2.gz BTFFWNWMFBESCJ-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001203555970 1090754148 /nfs/dbraw/zinc/75/41/48/1090754148.db2.gz LFSJJWZSZZFWAA-UHFFFAOYSA-N 0 3 301.361 3.015 20 10 DGCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC001203558346 1090755317 /nfs/dbraw/zinc/75/53/17/1090755317.db2.gz GTFZHVMGNWJXNJ-AWEZNQCLSA-N 0 3 320.433 3.224 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC001203558346 1090755324 /nfs/dbraw/zinc/75/53/24/1090755324.db2.gz GTFZHVMGNWJXNJ-AWEZNQCLSA-N 0 3 320.433 3.224 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001203556413 1090755729 /nfs/dbraw/zinc/75/57/29/1090755729.db2.gz PJASZWPFOZYPKU-UHFFFAOYSA-N 0 3 301.361 3.015 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001203556600 1090755999 /nfs/dbraw/zinc/75/59/99/1090755999.db2.gz VENXCHKLVGLCRJ-IEBWSBKVSA-N 0 3 308.425 3.099 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001203556600 1090756004 /nfs/dbraw/zinc/75/60/04/1090756004.db2.gz VENXCHKLVGLCRJ-IEBWSBKVSA-N 0 3 308.425 3.099 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC001203581199 1090761382 /nfs/dbraw/zinc/76/13/82/1090761382.db2.gz JQVAMGOWZCTPPZ-HIQKPIPCSA-N 0 3 322.452 3.406 20 10 DGCDHN CCOc1cccc(C[N@H+](C2CCC2)C2CCOCC2)c1[O-] ZINC001203616998 1090767612 /nfs/dbraw/zinc/76/76/12/1090767612.db2.gz FNUDHIPKTPWOKT-UHFFFAOYSA-N 0 3 305.418 3.324 20 10 DGCDHN CCOc1cccc(C[N@@H+](C2CCC2)C2CCOCC2)c1[O-] ZINC001203616998 1090767613 /nfs/dbraw/zinc/76/76/13/1090767613.db2.gz FNUDHIPKTPWOKT-UHFFFAOYSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1ccc(C[NH+]2CCC3(CCC(=O)CC3)CC2)c([O-])c1 ZINC001203634798 1090770152 /nfs/dbraw/zinc/77/01/52/1090770152.db2.gz VXUPSXWZCIHORU-UHFFFAOYSA-N 0 3 303.402 3.126 20 10 DGCDHN COc1ccc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)c([O-])c1 ZINC001203634582 1090770441 /nfs/dbraw/zinc/77/04/41/1090770441.db2.gz MSFOYTBUYBWTTN-UHFFFAOYSA-N 0 3 323.396 3.219 20 10 DGCDHN COc1ccc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)c([O-])c1 ZINC001203634582 1090770446 /nfs/dbraw/zinc/77/04/46/1090770446.db2.gz MSFOYTBUYBWTTN-UHFFFAOYSA-N 0 3 323.396 3.219 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH+](CC2CCCC2)CC1 ZINC001203657346 1090774875 /nfs/dbraw/zinc/77/48/75/1090774875.db2.gz JLOIOFSXDKNSJE-UHFFFAOYSA-N 0 3 308.853 3.353 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001204275219 1090938206 /nfs/dbraw/zinc/93/82/06/1090938206.db2.gz ZMIUVFFHGKMYTR-LJHODMEESA-N 0 3 317.429 3.125 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001204275219 1090938209 /nfs/dbraw/zinc/93/82/09/1090938209.db2.gz ZMIUVFFHGKMYTR-LJHODMEESA-N 0 3 317.429 3.125 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC001204280011 1090938905 /nfs/dbraw/zinc/93/89/05/1090938905.db2.gz IOPJGCXVBRMFJN-UHFFFAOYSA-N 0 3 311.381 3.068 20 10 DGCDHN COc1cc(Br)cc(C[N@H+](C)C2CC(C)C2)c1[O-] ZINC001204336771 1090951902 /nfs/dbraw/zinc/95/19/02/1090951902.db2.gz WQXMPNWAHCTISA-UHFFFAOYSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+](C)C2CC(C)C2)c1[O-] ZINC001204336771 1090951905 /nfs/dbraw/zinc/95/19/05/1090951905.db2.gz WQXMPNWAHCTISA-UHFFFAOYSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(CN2CC[C@H](Cc3ccccc3)C2)cc(O)c1O ZINC001204345742 1090952629 /nfs/dbraw/zinc/95/26/29/1090952629.db2.gz WIVODCPEYPKIDV-OAHLLOKOSA-N 0 3 313.397 3.171 20 10 DGCDHN CC[C@H](C)[C@H](CN1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC001204388417 1090959524 /nfs/dbraw/zinc/95/95/24/1090959524.db2.gz CAPFJGWFKOKWDK-KSSFIOAISA-N 0 3 324.440 3.017 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@]3(CCO3)C2)c(OC)c1 ZINC001138390458 1091166063 /nfs/dbraw/zinc/16/60/63/1091166063.db2.gz XSHCPOLLSCZZOR-IBGZPJMESA-N 0 3 318.461 3.296 20 10 DGCDHN COc1ccc2c(C[N@@H+]3CCc4cccc([O-])c4C3)c[nH]c2c1 ZINC001138589642 1091245282 /nfs/dbraw/zinc/24/52/82/1091245282.db2.gz HXLKMOITKWYPJD-UHFFFAOYSA-N 0 3 308.381 3.440 20 10 DGCDHN COc1ccc2c(C[N@H+]3CCc4cccc([O-])c4C3)c[nH]c2c1 ZINC001138589642 1091245290 /nfs/dbraw/zinc/24/52/90/1091245290.db2.gz HXLKMOITKWYPJD-UHFFFAOYSA-N 0 3 308.381 3.440 20 10 DGCDHN CCC[C@]1(CO)CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC001205588683 1091268205 /nfs/dbraw/zinc/26/82/05/1091268205.db2.gz BYKYMIVXIISRGV-QGZVFWFLSA-N 0 3 312.404 3.158 20 10 DGCDHN C[C@]1(C[NH3+])CCCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001206574162 1091675140 /nfs/dbraw/zinc/67/51/40/1091675140.db2.gz PVAPMUZKPQTZOF-OAHLLOKOSA-N 0 3 300.805 3.136 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001140053232 1091750023 /nfs/dbraw/zinc/75/00/23/1091750023.db2.gz VYRUKVDHJVUNSD-UHFFFAOYSA-N 0 3 315.388 3.101 20 10 DGCDHN Oc1cc(Cl)ccc1CN1CCN(Cc2ccccc2)CC1 ZINC001140462472 1091876529 /nfs/dbraw/zinc/87/65/29/1091876529.db2.gz GYECMBCADKIUMQ-UHFFFAOYSA-N 0 3 316.832 3.363 20 10 DGCDHN CN(C)c1ccc(CN2CCN(C3CCC3)CC2)c(Cl)c1 ZINC001140921615 1092062181 /nfs/dbraw/zinc/06/21/81/1092062181.db2.gz KOGSNTUPUWWMPF-UHFFFAOYSA-N 0 3 307.869 3.076 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001140921762 1092062204 /nfs/dbraw/zinc/06/22/04/1092062204.db2.gz OXHDJEULWBTTTL-WMLDXEAASA-N 0 3 308.853 3.407 20 10 DGCDHN CN(C)c1ccc(CN(C)[C@@H]2CCC3(C2)OCCO3)c(Cl)c1 ZINC001140926608 1092067323 /nfs/dbraw/zinc/06/73/23/1092067323.db2.gz PANSSDGKWQOEHU-OAHLLOKOSA-N 0 3 324.852 3.133 20 10 DGCDHN COc1cc([O-])c(C[NH+]2CCC3(CC(F)C3)CC2)c(OC)c1 ZINC001141026231 1092111100 /nfs/dbraw/zinc/11/11/00/1092111100.db2.gz IRTZSJCHURSGMR-UHFFFAOYSA-N 0 3 309.381 3.124 20 10 DGCDHN CN1CCOc2cc(CN3CCC[C@@H]3c3ccncc3)ccc21 ZINC001141143087 1092148242 /nfs/dbraw/zinc/14/82/42/1092148242.db2.gz MPAFQNUIKHKCPG-QGZVFWFLSA-N 0 3 309.413 3.247 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](CC1(c3ccccc3)CCOCC1)CC2 ZINC001208234815 1092287548 /nfs/dbraw/zinc/28/75/48/1092287548.db2.gz TZGMIBYQVDSRGB-UHFFFAOYSA-N 0 3 323.436 3.499 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](CC1(c3ccccc3)CCOCC1)CC2 ZINC001208234815 1092287558 /nfs/dbraw/zinc/28/75/58/1092287558.db2.gz TZGMIBYQVDSRGB-UHFFFAOYSA-N 0 3 323.436 3.499 20 10 DGCDHN CCN(CCN1CCc2cccc(O)c2C1)C(=O)OC(C)(C)C ZINC001208579598 1092405511 /nfs/dbraw/zinc/40/55/11/1092405511.db2.gz XKDFERZYEFJOTQ-UHFFFAOYSA-N 0 3 320.433 3.007 20 10 DGCDHN COc1ccc(N2CCN(CCC3CCCC3)CC2)c(OC)c1 ZINC001208696073 1092461993 /nfs/dbraw/zinc/46/19/93/1092461993.db2.gz LBDLFTJZHUQTNX-UHFFFAOYSA-N 0 3 318.461 3.406 20 10 DGCDHN CC[N@H+](CCc1ccc(OC)c(OC)c1)Cc1ccccc1[O-] ZINC001208761429 1092493569 /nfs/dbraw/zinc/49/35/69/1092493569.db2.gz VMWOTRORZIDIPG-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN CC[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1ccccc1[O-] ZINC001208761429 1092493581 /nfs/dbraw/zinc/49/35/81/1092493581.db2.gz VMWOTRORZIDIPG-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210214887 1093080773 /nfs/dbraw/zinc/08/07/73/1093080773.db2.gz BMLYTEHTXSNNJZ-MRXNPFEDSA-N 0 3 302.805 3.192 20 10 DGCDHN CC(C)C(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134883236 1094323371 /nfs/dbraw/zinc/32/33/71/1094323371.db2.gz ZLCYWWPYKTVTKS-QGZVFWFLSA-N 0 3 319.493 3.154 20 10 DGCDHN COc1ccc(CN2CC(c3ccc(F)cc3)C2)c(O)c1OC ZINC001120056785 1094365822 /nfs/dbraw/zinc/36/58/22/1094365822.db2.gz FEXKLNSWRVPDFN-UHFFFAOYSA-N 0 3 317.360 3.148 20 10 DGCDHN COc1cc([O-])c(CN2CCC[C@@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270984 1095522437 /nfs/dbraw/zinc/52/24/37/1095522437.db2.gz BOZCRPGQAXXSTE-QGZVFWFLSA-N 0 3 324.852 3.020 20 10 DGCDHN [O-]c1c(CN2CCC[C@@]3(CC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222287531 1095531240 /nfs/dbraw/zinc/53/12/40/1095531240.db2.gz LOYMAFGELTUPPM-HXUWFJFHSA-N 0 3 308.425 3.387 20 10 DGCDHN CC[C@@H]([NH2+]CCc1nc(C(C)C)no1)c1ccc(C)cc1[O-] ZINC001116890073 1095692185 /nfs/dbraw/zinc/69/21/85/1095692185.db2.gz MXHPNCWAYABFCZ-CQSZACIVSA-N 0 3 303.406 3.490 20 10 DGCDHN Oc1cc(O)c(CN2CCC[C@@H]2c2c(F)cccc2F)c(O)c1 ZINC001144515050 1095699710 /nfs/dbraw/zinc/69/97/10/1095699710.db2.gz CODXBNHVRQVUJN-CQSZACIVSA-N 0 3 321.323 3.419 20 10 DGCDHN [O-]c1c(F)cccc1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001138125527 1095893846 /nfs/dbraw/zinc/89/38/46/1095893846.db2.gz RNYXSEMMPXEICD-UHFFFAOYSA-N 0 3 318.436 3.372 20 10 DGCDHN [O-]c1c(F)cccc1CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001138125527 1095893863 /nfs/dbraw/zinc/89/38/63/1095893863.db2.gz RNYXSEMMPXEICD-UHFFFAOYSA-N 0 3 318.436 3.372 20 10 DGCDHN Oc1cc2ccccc2cc1CNc1ccc2c(n1)OCCNC2 ZINC001171400229 1096666307 /nfs/dbraw/zinc/66/63/07/1096666307.db2.gz PLCBOFXYCPOEEI-UHFFFAOYSA-N 0 3 321.380 3.035 20 10 DGCDHN O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC001171867496 1096994453 /nfs/dbraw/zinc/99/44/53/1096994453.db2.gz ZUPNSKMSTVSXTL-GOSISDBHSA-N 0 3 324.424 3.177 20 10 DGCDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001173233306 1097377796 /nfs/dbraw/zinc/37/77/96/1097377796.db2.gz VGMGGVVKVMUTQE-CYBMUJFWSA-N 0 3 312.369 3.290 20 10 DGCDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001173233306 1097377800 /nfs/dbraw/zinc/37/78/00/1097377800.db2.gz VGMGGVVKVMUTQE-CYBMUJFWSA-N 0 3 312.369 3.290 20 10 DGCDHN COC(=O)c1ccc(C[C@H](C)[N@H+](C)Cc2ccccc2[O-])cc1 ZINC001173731126 1097509423 /nfs/dbraw/zinc/50/94/23/1097509423.db2.gz SNOMKSUFSXTCAY-AWEZNQCLSA-N 0 3 313.397 3.242 20 10 DGCDHN COC(=O)c1ccc(C[C@H](C)[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC001173731126 1097509427 /nfs/dbraw/zinc/50/94/27/1097509427.db2.gz SNOMKSUFSXTCAY-AWEZNQCLSA-N 0 3 313.397 3.242 20 10 DGCDHN Cc1cnccc1Nc1ccc(C(=O)OC(C)(C)C)cc1O ZINC001174538840 1097748878 /nfs/dbraw/zinc/74/88/78/1097748878.db2.gz UBAQMTQSYWYECY-UHFFFAOYSA-N 0 3 300.358 3.216 20 10 DGCDHN COc1ccc(Br)c(CN(C)C(C)(C)C)c1O ZINC001231553161 1097779623 /nfs/dbraw/zinc/77/96/23/1097779623.db2.gz SAYXMVSTSNFMCT-UHFFFAOYSA-N 0 3 302.212 3.394 20 10 DGCDHN COc1ccc(Br)c(C[N@H+](C)C(C)(C)C)c1[O-] ZINC001231553161 1097779626 /nfs/dbraw/zinc/77/96/26/1097779626.db2.gz SAYXMVSTSNFMCT-UHFFFAOYSA-N 0 3 302.212 3.394 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+](C)C(C)(C)C)c1[O-] ZINC001231553161 1097779630 /nfs/dbraw/zinc/77/96/30/1097779630.db2.gz SAYXMVSTSNFMCT-UHFFFAOYSA-N 0 3 302.212 3.394 20 10 DGCDHN CCC(=O)NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231590369 1097785737 /nfs/dbraw/zinc/78/57/37/1097785737.db2.gz WQMSAVBEKXXLKO-UHFFFAOYSA-N 0 3 312.413 3.036 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2cccnc2)CC1 ZINC001231588839 1097786239 /nfs/dbraw/zinc/78/62/39/1097786239.db2.gz VYUTYRIEVIXZRH-UHFFFAOYSA-N 0 3 319.408 3.263 20 10 DGCDHN COc1cc(CN(C)[C@@H](C)c2ccccc2OC)c(O)cc1O ZINC001231637710 1097798969 /nfs/dbraw/zinc/79/89/69/1097798969.db2.gz QTLXNBKIEQOBMZ-LBPRGKRZSA-N 0 3 317.385 3.308 20 10 DGCDHN COc1cc(N(C)C)ccc1CN1CCC2(CC(F)C2)CC1 ZINC001231852066 1097864998 /nfs/dbraw/zinc/86/49/98/1097864998.db2.gz QGBUNXFKSOCSCR-UHFFFAOYSA-N 0 3 306.425 3.475 20 10 DGCDHN COc1cc([O-])c(CN2CCC([N@H+](C)C3CC3)CC2)cc1Cl ZINC001232269175 1097988062 /nfs/dbraw/zinc/98/80/62/1097988062.db2.gz SISYQYCSINDGRF-UHFFFAOYSA-N 0 3 324.852 3.113 20 10 DGCDHN COc1cc([O-])c(CN2CCC([N@@H+](C)C3CC3)CC2)cc1Cl ZINC001232269175 1097988066 /nfs/dbraw/zinc/98/80/66/1097988066.db2.gz SISYQYCSINDGRF-UHFFFAOYSA-N 0 3 324.852 3.113 20 10 DGCDHN COC(=O)c1c(CN2CCC[C@@H](F)CC2)c2ccccc2n1C ZINC001232403132 1098029442 /nfs/dbraw/zinc/02/94/42/1098029442.db2.gz URXIORFVRUJZDF-CYBMUJFWSA-N 0 3 318.392 3.289 20 10 DGCDHN CCOC(=O)c1c(CN2CCCCC2)c2ccccc2n1C ZINC001233270587 1098270376 /nfs/dbraw/zinc/27/03/76/1098270376.db2.gz SLGWTKGDNJIZFP-UHFFFAOYSA-N 0 3 300.402 3.341 20 10 DGCDHN COC[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727710 1098416527 /nfs/dbraw/zinc/41/65/27/1098416527.db2.gz OQDCTCLUWYCTJA-GFCCVEGCSA-N 0 3 319.323 3.292 20 10 DGCDHN COC[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727710 1098416529 /nfs/dbraw/zinc/41/65/29/1098416529.db2.gz OQDCTCLUWYCTJA-GFCCVEGCSA-N 0 3 319.323 3.292 20 10 DGCDHN [O-]c1c(C[N@@H+]2CCC[C@]3(CCO3)C2)cccc1OC(F)(F)F ZINC001233760971 1098425017 /nfs/dbraw/zinc/42/50/17/1098425017.db2.gz NHFRYMGOHDQDNL-AWEZNQCLSA-N 0 3 317.307 3.046 20 10 DGCDHN [O-]c1c(C[N@H+]2CCC[C@]3(CCO3)C2)cccc1OC(F)(F)F ZINC001233760971 1098425018 /nfs/dbraw/zinc/42/50/18/1098425018.db2.gz NHFRYMGOHDQDNL-AWEZNQCLSA-N 0 3 317.307 3.046 20 10 DGCDHN [O-]c1c(C[N@@H+]2CCC[C@@H](CF)C2)cccc1OC(F)(F)F ZINC001233761005 1098425377 /nfs/dbraw/zinc/42/53/77/1098425377.db2.gz NOHFGIDSRBWSDT-JTQLQIEISA-N 0 3 307.287 3.472 20 10 DGCDHN [O-]c1c(C[N@H+]2CCC[C@@H](CF)C2)cccc1OC(F)(F)F ZINC001233761005 1098425382 /nfs/dbraw/zinc/42/53/82/1098425382.db2.gz NOHFGIDSRBWSDT-JTQLQIEISA-N 0 3 307.287 3.472 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3CC4(C3)CCCOC4)c2c1 ZINC001234525897 1098581091 /nfs/dbraw/zinc/58/10/91/1098581091.db2.gz MXWWTFCBLXGJIS-UHFFFAOYSA-N 0 3 313.397 3.166 20 10 DGCDHN CCO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC001234568611 1098603809 /nfs/dbraw/zinc/60/38/09/1098603809.db2.gz AKCVDQSFCNFCGD-OAHLLOKOSA-N 0 3 301.386 3.165 20 10 DGCDHN CCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC001234568611 1098603812 /nfs/dbraw/zinc/60/38/12/1098603812.db2.gz AKCVDQSFCNFCGD-OAHLLOKOSA-N 0 3 301.386 3.165 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H](C)CC(C)(C)OC)cc2)CC1 ZINC001234660428 1098636676 /nfs/dbraw/zinc/63/66/76/1098636676.db2.gz IFNQGMLCLOTXHE-INIZCTEOSA-N 0 3 320.477 3.411 20 10 DGCDHN [O-]c1c(C[NH+]2CCN(C3CC3)CC2)cccc1-c1ccccc1 ZINC001234993276 1098739538 /nfs/dbraw/zinc/73/95/38/1098739538.db2.gz XXQWMMAUZUERLG-UHFFFAOYSA-N 0 3 308.425 3.339 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC001235197716 1098872953 /nfs/dbraw/zinc/87/29/53/1098872953.db2.gz HZHQPTYRBJYVQG-TZMCWYRMSA-N 0 3 322.880 3.384 20 10 DGCDHN CN1CCC[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@H]21 ZINC001235678085 1099119361 /nfs/dbraw/zinc/11/93/61/1099119361.db2.gz ADYPRGVBONWUPI-RHSMWYFYSA-N 0 3 302.462 3.216 20 10 DGCDHN CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@H]21 ZINC001235678085 1099119366 /nfs/dbraw/zinc/11/93/66/1099119366.db2.gz ADYPRGVBONWUPI-RHSMWYFYSA-N 0 3 302.462 3.216 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](F)(CO)CC2)c([O-])c1 ZINC001235676760 1099120606 /nfs/dbraw/zinc/12/06/06/1099120606.db2.gz UBAHIIJMZPVMAQ-GOSISDBHSA-N 0 3 309.425 3.376 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@](F)(CO)CC2)c([O-])c1 ZINC001235676760 1099120609 /nfs/dbraw/zinc/12/06/09/1099120609.db2.gz UBAHIIJMZPVMAQ-GOSISDBHSA-N 0 3 309.425 3.376 20 10 DGCDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681270 1099124651 /nfs/dbraw/zinc/12/46/51/1099124651.db2.gz ZOTSVPGEHDXBBO-LJQANCHMSA-N 0 3 319.445 3.465 20 10 DGCDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681270 1099124654 /nfs/dbraw/zinc/12/46/54/1099124654.db2.gz ZOTSVPGEHDXBBO-LJQANCHMSA-N 0 3 319.445 3.465 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2nc3ccc(F)cc3[nH]2)cc1 ZINC001235700927 1099134914 /nfs/dbraw/zinc/13/49/14/1099134914.db2.gz NDKPHDONEUWKNQ-UHFFFAOYSA-N 0 3 312.392 3.400 20 10 DGCDHN [O-]c1c(F)cccc1C[N@@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235794670 1099184296 /nfs/dbraw/zinc/18/42/96/1099184296.db2.gz VQBOZJWTYGYNQG-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN [O-]c1c(F)cccc1C[N@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235794670 1099184299 /nfs/dbraw/zinc/18/42/99/1099184299.db2.gz VQBOZJWTYGYNQG-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN CCN(CC)CC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001180391287 1099393636 /nfs/dbraw/zinc/39/36/36/1099393636.db2.gz NRSHWIANUKHFPF-GOSISDBHSA-N 0 3 318.461 3.090 20 10 DGCDHN CCC[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC001180429532 1099402982 /nfs/dbraw/zinc/40/29/82/1099402982.db2.gz CLLLVBQQDWXBQU-DLBZAZTESA-N 0 3 307.434 3.188 20 10 DGCDHN CCC[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC001180429532 1099402985 /nfs/dbraw/zinc/40/29/85/1099402985.db2.gz CLLLVBQQDWXBQU-DLBZAZTESA-N 0 3 307.434 3.188 20 10 DGCDHN CC(C)(C)C[N@H+](Cc1c([O-])cc(F)cc1F)C1CCNCC1 ZINC001236458103 1099623462 /nfs/dbraw/zinc/62/34/62/1099623462.db2.gz UKZHZIAXCUFFPQ-UHFFFAOYSA-N 0 3 312.404 3.271 20 10 DGCDHN CC(C)(C)C[N@@H+](Cc1c([O-])cc(F)cc1F)C1CCNCC1 ZINC001236458103 1099623466 /nfs/dbraw/zinc/62/34/66/1099623466.db2.gz UKZHZIAXCUFFPQ-UHFFFAOYSA-N 0 3 312.404 3.271 20 10 DGCDHN CC(C)(C)CN(Cc1c([O-])cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236458103 1099623468 /nfs/dbraw/zinc/62/34/68/1099623468.db2.gz UKZHZIAXCUFFPQ-UHFFFAOYSA-N 0 3 312.404 3.271 20 10 DGCDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])C[C@@H]1CC1(C)C ZINC001236770678 1099771320 /nfs/dbraw/zinc/77/13/20/1099771320.db2.gz JMLXFDHDHDLKEF-JTQLQIEISA-N 0 3 314.223 3.338 20 10 DGCDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])C[C@@H]1CC1(C)C ZINC001236770678 1099771328 /nfs/dbraw/zinc/77/13/28/1099771328.db2.gz JMLXFDHDHDLKEF-JTQLQIEISA-N 0 3 314.223 3.338 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001236788767 1099784613 /nfs/dbraw/zinc/78/46/13/1099784613.db2.gz QEISCZGFVRNMNO-KRWDZBQOSA-N 0 3 312.413 3.311 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001236788767 1099784623 /nfs/dbraw/zinc/78/46/23/1099784623.db2.gz QEISCZGFVRNMNO-KRWDZBQOSA-N 0 3 312.413 3.311 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001236812336 1099803145 /nfs/dbraw/zinc/80/31/45/1099803145.db2.gz CIPZTHQOOAPDIE-HNNXBMFYSA-N 0 3 312.413 3.484 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001236812336 1099803152 /nfs/dbraw/zinc/80/31/52/1099803152.db2.gz CIPZTHQOOAPDIE-HNNXBMFYSA-N 0 3 312.413 3.484 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC3(CCOC3(C)C)CC2)c([O-])c1 ZINC001236816922 1099803354 /nfs/dbraw/zinc/80/33/54/1099803354.db2.gz YPFOTOMITNDFIW-UHFFFAOYSA-N 0 3 319.445 3.490 20 10 DGCDHN O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)N1 ZINC001236833750 1099819410 /nfs/dbraw/zinc/81/94/10/1099819410.db2.gz YALUJDIKXGFKHG-FQEVSTJZSA-N 0 3 324.424 3.180 20 10 DGCDHN O=C1CCC[C@@]2(CCC[N@H+](Cc3cc4ccccc4cc3[O-])C2)N1 ZINC001236833750 1099819419 /nfs/dbraw/zinc/81/94/19/1099819419.db2.gz YALUJDIKXGFKHG-FQEVSTJZSA-N 0 3 324.424 3.180 20 10 DGCDHN COC(=O)C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236838301 1099824389 /nfs/dbraw/zinc/82/43/89/1099824389.db2.gz XQNMVGRDXOCHKJ-AWEZNQCLSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236838301 1099824399 /nfs/dbraw/zinc/82/43/99/1099824399.db2.gz XQNMVGRDXOCHKJ-AWEZNQCLSA-N 0 3 313.397 3.321 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c([O-])c1 ZINC001237044361 1099942052 /nfs/dbraw/zinc/94/20/52/1099942052.db2.gz CHUUSWRRDWUEMR-HNNXBMFYSA-N 0 3 317.351 3.262 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c([O-])c1 ZINC001237044361 1099942058 /nfs/dbraw/zinc/94/20/58/1099942058.db2.gz CHUUSWRRDWUEMR-HNNXBMFYSA-N 0 3 317.351 3.262 20 10 DGCDHN CCC[N@H+](CCOC)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237051513 1099943804 /nfs/dbraw/zinc/94/38/04/1099943804.db2.gz MJROTYDMAIGQKC-UHFFFAOYSA-N 0 3 321.339 3.192 20 10 DGCDHN CCC[N@@H+](CCOC)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237051513 1099943813 /nfs/dbraw/zinc/94/38/13/1099943813.db2.gz MJROTYDMAIGQKC-UHFFFAOYSA-N 0 3 321.339 3.192 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237062474 1099954149 /nfs/dbraw/zinc/95/41/49/1099954149.db2.gz PAWROCBBQSPFRL-MFKMUULPSA-N 0 3 301.308 3.318 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237062474 1099954156 /nfs/dbraw/zinc/95/41/56/1099954156.db2.gz PAWROCBBQSPFRL-MFKMUULPSA-N 0 3 301.308 3.318 20 10 DGCDHN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237113693 1099976544 /nfs/dbraw/zinc/97/65/44/1099976544.db2.gz BYTVCSUOFPGFKD-CYBMUJFWSA-N 0 3 319.323 3.026 20 10 DGCDHN CC(C)(O)[C@H]1CCC[N@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237113693 1099976549 /nfs/dbraw/zinc/97/65/49/1099976549.db2.gz BYTVCSUOFPGFKD-CYBMUJFWSA-N 0 3 319.323 3.026 20 10 DGCDHN CO[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237122021 1099981098 /nfs/dbraw/zinc/98/10/98/1099981098.db2.gz DLOUVCWKCXSIAV-NSHDSACASA-N 0 3 319.323 3.292 20 10 DGCDHN CO[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237122021 1099981108 /nfs/dbraw/zinc/98/11/08/1099981108.db2.gz DLOUVCWKCXSIAV-NSHDSACASA-N 0 3 319.323 3.292 20 10 DGCDHN CC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C1CCN(C)CC1 ZINC001237139733 1099989274 /nfs/dbraw/zinc/98/92/74/1099989274.db2.gz OILOOLRGQYCLBW-UHFFFAOYSA-N 0 3 316.367 3.327 20 10 DGCDHN CC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C1CCN(C)CC1 ZINC001237139733 1099989285 /nfs/dbraw/zinc/98/92/85/1099989285.db2.gz OILOOLRGQYCLBW-UHFFFAOYSA-N 0 3 316.367 3.327 20 10 DGCDHN CO[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@@H](C)C1 ZINC001237139696 1099989641 /nfs/dbraw/zinc/98/96/41/1099989641.db2.gz BWWGQEBWTSQEQT-GWCFXTLKSA-N 0 3 303.324 3.410 20 10 DGCDHN CO[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@@H](C)C1 ZINC001237139696 1099989648 /nfs/dbraw/zinc/98/96/48/1099989648.db2.gz BWWGQEBWTSQEQT-GWCFXTLKSA-N 0 3 303.324 3.410 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@]1(C)O ZINC001237138074 1099990103 /nfs/dbraw/zinc/99/01/03/1099990103.db2.gz SVVIURHNAHPDLL-IINYFYTJSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@]1(C)O ZINC001237138074 1099990109 /nfs/dbraw/zinc/99/01/09/1099990109.db2.gz SVVIURHNAHPDLL-IINYFYTJSA-N 0 3 303.324 3.004 20 10 DGCDHN CC[N@H+](CCn1cccn1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237141025 1099993563 /nfs/dbraw/zinc/99/35/63/1099993563.db2.gz SDJHRSYTALZTMR-UHFFFAOYSA-N 0 3 313.323 3.130 20 10 DGCDHN CC[N@@H+](CCn1cccn1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237141025 1099993572 /nfs/dbraw/zinc/99/35/72/1099993572.db2.gz SDJHRSYTALZTMR-UHFFFAOYSA-N 0 3 313.323 3.130 20 10 DGCDHN COc1ccc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)c([O-])c1Cl ZINC001237157247 1100008044 /nfs/dbraw/zinc/00/80/44/1100008044.db2.gz SHEHQGANYGCGOL-AWEZNQCLSA-N 0 3 324.852 3.161 20 10 DGCDHN COc1ccc(C[N@H+](C2CCC2)[C@H]2CCCNC2)c([O-])c1Cl ZINC001237157247 1100008053 /nfs/dbraw/zinc/00/80/53/1100008053.db2.gz SHEHQGANYGCGOL-AWEZNQCLSA-N 0 3 324.852 3.161 20 10 DGCDHN COc1ccc(C[N@@H+](C2CCC2)[C@H]2CCCNC2)c([O-])c1Cl ZINC001237157247 1100008065 /nfs/dbraw/zinc/00/80/65/1100008065.db2.gz SHEHQGANYGCGOL-AWEZNQCLSA-N 0 3 324.852 3.161 20 10 DGCDHN Cc1cccc(O)c1CN1CCN(c2noc3ccccc32)CC1 ZINC001237481277 1100139770 /nfs/dbraw/zinc/13/97/70/1100139770.db2.gz FRPJBEOYZFZGCC-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001237491297 1100143383 /nfs/dbraw/zinc/14/33/83/1100143383.db2.gz JQFAZLXRCUOQHX-UHFFFAOYSA-N 0 3 322.449 3.437 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001237491297 1100143387 /nfs/dbraw/zinc/14/33/87/1100143387.db2.gz JQFAZLXRCUOQHX-UHFFFAOYSA-N 0 3 322.449 3.437 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001237493515 1100143720 /nfs/dbraw/zinc/14/37/20/1100143720.db2.gz ZBVPAJNOSIDQDT-AWEZNQCLSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001237493515 1100143723 /nfs/dbraw/zinc/14/37/23/1100143723.db2.gz ZBVPAJNOSIDQDT-AWEZNQCLSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237495606 1100144766 /nfs/dbraw/zinc/14/47/66/1100144766.db2.gz SWPTWYNWXNDKAN-CALCHBBNSA-N 0 3 308.425 3.269 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237495606 1100144787 /nfs/dbraw/zinc/14/47/87/1100144787.db2.gz SWPTWYNWXNDKAN-CALCHBBNSA-N 0 3 308.425 3.269 20 10 DGCDHN Cc1cccc(O)c1CN1CC(C)(CNC(=O)OC(C)(C)C)C1 ZINC001237494247 1100145651 /nfs/dbraw/zinc/14/56/51/1100145651.db2.gz GOCHQOAQPHSCOR-UHFFFAOYSA-N 0 3 320.433 3.047 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH+]1CC(C2COC2)C1 ZINC001237641150 1100200076 /nfs/dbraw/zinc/20/00/76/1100200076.db2.gz NEDNBPGMCBXZPL-UHFFFAOYSA-N 0 3 313.372 3.277 20 10 DGCDHN CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237648292 1100204285 /nfs/dbraw/zinc/20/42/85/1100204285.db2.gz ZMECFSLQIHFQLJ-ROUUACIJSA-N 0 3 312.388 3.087 20 10 DGCDHN CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237648292 1100204287 /nfs/dbraw/zinc/20/42/87/1100204287.db2.gz ZMECFSLQIHFQLJ-ROUUACIJSA-N 0 3 312.388 3.087 20 10 DGCDHN COc1cc(CN2CCC[C@@H]2c2cccnc2)c(O)c(OC)c1 ZINC001237674699 1100210623 /nfs/dbraw/zinc/21/06/23/1100210623.db2.gz LOVADWHOOYCWRQ-MRXNPFEDSA-N 0 3 314.385 3.142 20 10 DGCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c1[O-] ZINC001237687172 1100215399 /nfs/dbraw/zinc/21/53/99/1100215399.db2.gz SZQJPWFROXCVSU-UHFFFAOYSA-N 0 3 324.852 3.078 20 10 DGCDHN COC(=O)CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237686802 1100215465 /nfs/dbraw/zinc/21/54/65/1100215465.db2.gz ONOYAPYXDINZIG-LBPRGKRZSA-N 0 3 311.809 3.129 20 10 DGCDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237686802 1100215468 /nfs/dbraw/zinc/21/54/68/1100215468.db2.gz ONOYAPYXDINZIG-LBPRGKRZSA-N 0 3 311.809 3.129 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@@H]2COCC[C@H]2OC)cc1 ZINC001203829828 1101256540 /nfs/dbraw/zinc/25/65/40/1101256540.db2.gz IJCWHKDRWYFKNF-RTBURBONSA-N 0 3 320.477 3.207 20 10 DGCDHN Cn1ccc2c1cccc2-c1cncc([C@H]2CN3CCC2CC3)n1 ZINC001241822401 1101728269 /nfs/dbraw/zinc/72/82/69/1101728269.db2.gz TUZFCPVTNAXZEP-KRWDZBQOSA-N 0 3 318.424 3.445 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000686281611 1103041510 /nfs/dbraw/zinc/04/15/10/1103041510.db2.gz VYSFQCFYPWEOKN-QWHCGFSZSA-N 0 3 320.433 3.298 20 10 DGCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1[O-] ZINC001274302194 1104347129 /nfs/dbraw/zinc/34/71/29/1104347129.db2.gz XVJKVGHNZWLDJI-USXIJHARSA-N 0 3 316.445 3.064 20 10 DGCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)cccc1[O-] ZINC001274302194 1104347141 /nfs/dbraw/zinc/34/71/41/1104347141.db2.gz XVJKVGHNZWLDJI-USXIJHARSA-N 0 3 316.445 3.064 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c([O-])c1 ZINC001249177737 1105241258 /nfs/dbraw/zinc/24/12/58/1105241258.db2.gz ILVIBCIFLMTUKH-UHFFFAOYSA-N 0 3 317.429 3.264 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CCCC3(CCCC3)C2)c([O-])c1 ZINC001249177737 1105241261 /nfs/dbraw/zinc/24/12/61/1105241261.db2.gz ILVIBCIFLMTUKH-UHFFFAOYSA-N 0 3 317.429 3.264 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001249208535 1105247240 /nfs/dbraw/zinc/24/72/40/1105247240.db2.gz UZLBHLGGPIHPRZ-WBVHZDCISA-N 0 3 317.429 3.262 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001249208535 1105247244 /nfs/dbraw/zinc/24/72/44/1105247244.db2.gz UZLBHLGGPIHPRZ-WBVHZDCISA-N 0 3 317.429 3.262 20 10 DGCDHN C[C@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)[C@H]1CO ZINC001249223610 1105249446 /nfs/dbraw/zinc/24/94/46/1105249446.db2.gz JRGGNYVHBDPGNV-BBRMVZONSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)[C@H]1CO ZINC001249223610 1105249450 /nfs/dbraw/zinc/24/94/50/1105249450.db2.gz JRGGNYVHBDPGNV-BBRMVZONSA-N 0 3 317.429 3.169 20 10 DGCDHN COC[C@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223311 1105250104 /nfs/dbraw/zinc/25/01/04/1105250104.db2.gz DGZXMGAVDYEILS-ZDUSSCGKSA-N 0 3 303.402 3.045 20 10 DGCDHN COC[C@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223311 1105250107 /nfs/dbraw/zinc/25/01/07/1105250107.db2.gz DGZXMGAVDYEILS-ZDUSSCGKSA-N 0 3 303.402 3.045 20 10 DGCDHN COCC[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C(C)C ZINC001249244967 1105256512 /nfs/dbraw/zinc/25/65/12/1105256512.db2.gz RMYAPTVIIFZCDS-UHFFFAOYSA-N 0 3 305.418 3.433 20 10 DGCDHN COCC[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C(C)C ZINC001249244967 1105256514 /nfs/dbraw/zinc/25/65/14/1105256514.db2.gz RMYAPTVIIFZCDS-UHFFFAOYSA-N 0 3 305.418 3.433 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@@H](CCO)C3)ccc2O1 ZINC001249252831 1105257827 /nfs/dbraw/zinc/25/78/27/1105257827.db2.gz WSDIJDNPSQTXHC-AWEZNQCLSA-N 0 3 317.429 3.171 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@@H](CCO)C3)ccc2O1 ZINC001249252831 1105257830 /nfs/dbraw/zinc/25/78/30/1105257830.db2.gz WSDIJDNPSQTXHC-AWEZNQCLSA-N 0 3 317.429 3.171 20 10 DGCDHN Cc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1C ZINC001249340231 1105271120 /nfs/dbraw/zinc/27/11/20/1105271120.db2.gz XKHFWYIOODHFKG-OAHLLOKOSA-N 0 3 309.369 3.302 20 10 DGCDHN Cc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c(O)cc1Br ZINC001250132786 1105450270 /nfs/dbraw/zinc/45/02/70/1105450270.db2.gz FIWLVIPXYLSQPG-GAFUQQFSSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c([O-])cc1Br ZINC001250132786 1105450272 /nfs/dbraw/zinc/45/02/72/1105450272.db2.gz FIWLVIPXYLSQPG-GAFUQQFSSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c([O-])cc1Br ZINC001250132786 1105450273 /nfs/dbraw/zinc/45/02/73/1105450273.db2.gz FIWLVIPXYLSQPG-GAFUQQFSSA-N 0 3 314.198 3.395 20 10 DGCDHN OC[C@H]1c2ccccc2CCN1Cc1ccc(N2CCCC2)cc1 ZINC001254010453 1106009594 /nfs/dbraw/zinc/00/95/94/1106009594.db2.gz GAGFVUVIEFXAEB-NRFANRHFSA-N 0 3 322.452 3.379 20 10 DGCDHN CN1CCC[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001254504331 1106085122 /nfs/dbraw/zinc/08/51/22/1106085122.db2.gz UEAUJQWPLJAQFV-ZDUSSCGKSA-N 0 3 319.836 3.168 20 10 DGCDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C2 ZINC001255182337 1106201354 /nfs/dbraw/zinc/20/13/54/1106201354.db2.gz DTTLVPZUQCXXCG-XQLPTFJDSA-N 0 3 318.417 3.195 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258411623 1106735806 /nfs/dbraw/zinc/73/58/06/1106735806.db2.gz HHXYGWOQOHLNSH-UHFFFAOYSA-N 0 3 300.377 3.290 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1ccc(C)cc1[O-] ZINC001322454776 1107678346 /nfs/dbraw/zinc/67/83/46/1107678346.db2.gz FKJGBCQFCXLRLC-SJLPKXTDSA-N 0 3 321.461 3.167 20 10 DGCDHN CC(C)CNC(=O)CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC001319858660 1108666550 /nfs/dbraw/zinc/66/65/50/1108666550.db2.gz IPLFZJFEDLQVPT-MRXNPFEDSA-N 0 3 317.477 3.100 20 10 DGCDHN CCOCc1cc(CN[C@H](C)c2cccnc2)ccc1OC ZINC001308188306 1111393167 /nfs/dbraw/zinc/39/31/67/1111393167.db2.gz OSOLSVVWYQXMIE-CQSZACIVSA-N 0 3 300.402 3.478 20 10 DGCDHN COc1ccc(CN(C)Cc2cc(C)c(C)cc2O)cc1O ZINC000092404940 185316677 /nfs/dbraw/zinc/31/66/77/185316677.db2.gz REDIQYLIVVZFFS-UHFFFAOYSA-N 0 3 301.386 3.355 20 10 DGCDHN COc1cccc(C[NH+]2CCC(OC3CCCC3)CC2)c1[O-] ZINC000092758907 185338787 /nfs/dbraw/zinc/33/87/87/185338787.db2.gz LUMXAPLCGWHFCM-UHFFFAOYSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1cccc([C@@H](C[NH2+]Cc2cc(C)ccc2[O-])N(C)C)c1 ZINC000103854801 432013079 /nfs/dbraw/zinc/01/30/79/432013079.db2.gz GHQLHWONVAWIMN-GOSISDBHSA-N 0 3 314.429 3.102 20 10 DGCDHN Cn1cc(C[N@H+](C)Cc2ccccc2[O-])c(-c2cccs2)n1 ZINC000179770604 432070636 /nfs/dbraw/zinc/07/06/36/432070636.db2.gz XCAAFSFPGRANTN-UHFFFAOYSA-N 0 3 313.426 3.486 20 10 DGCDHN Cn1cc(C[N@@H+](C)Cc2ccccc2[O-])c(-c2cccs2)n1 ZINC000179770604 432070638 /nfs/dbraw/zinc/07/06/38/432070638.db2.gz XCAAFSFPGRANTN-UHFFFAOYSA-N 0 3 313.426 3.486 20 10 DGCDHN Cc1ccc(O)c(CNc2ccc(OCCN(C)C)cc2)c1 ZINC000103855670 193961437 /nfs/dbraw/zinc/96/14/37/193961437.db2.gz VFYDVYVMFARWAL-UHFFFAOYSA-N 0 3 300.402 3.253 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCc3sccc31)OCO2 ZINC000061360342 285382094 /nfs/dbraw/zinc/38/20/94/285382094.db2.gz RBNJPBOPEWNCPT-GFCCVEGCSA-N 0 3 303.383 3.350 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCN(c3ccccc3)C1)CC2 ZINC000295989344 285396820 /nfs/dbraw/zinc/39/68/20/285396820.db2.gz NPYWSVLNKVUKAC-QAPCUYQASA-N 0 3 308.425 3.496 20 10 DGCDHN C[C@@H](CC[NH2+][C@@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000183595926 533611006 /nfs/dbraw/zinc/61/10/06/533611006.db2.gz GDMVJPPDWYPCAY-STQMWFEESA-N 0 3 308.422 3.346 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000272827773 130067781 /nfs/dbraw/zinc/06/77/81/130067781.db2.gz HCCOOFAFPZWKDX-CHWSQXEVSA-N 0 3 310.397 3.323 20 10 DGCDHN CCOCc1cc(CN[C@]2(C)CCO[C@H]2C2CC2)ccc1OC ZINC000273167532 130094496 /nfs/dbraw/zinc/09/44/96/130094496.db2.gz VFRKSPMSIJHTHJ-RBUKOAKNSA-N 0 3 319.445 3.279 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1 ZINC000273297295 130103989 /nfs/dbraw/zinc/10/39/89/130103989.db2.gz AKABCRSSKRIWLK-BLLLJJGKSA-N 0 3 320.458 3.416 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000273364754 130112421 /nfs/dbraw/zinc/11/24/21/130112421.db2.gz DTRIFRGBBUNJSX-JSGCOSHPSA-N 0 3 321.367 3.172 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c([O-])c1 ZINC000273376961 130113816 /nfs/dbraw/zinc/11/38/16/130113816.db2.gz HIXWYZRBSDWBMR-OAHLLOKOSA-N 0 3 322.412 3.191 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000273386994 130115671 /nfs/dbraw/zinc/11/56/71/130115671.db2.gz JSVCRSXJYIQCBU-ZBFHGGJFSA-N 0 3 317.404 3.342 20 10 DGCDHN COCC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000273412448 130119174 /nfs/dbraw/zinc/11/91/74/130119174.db2.gz IAMJDBMOPVHNPS-WFASDCNBSA-N 0 3 305.374 3.422 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000273742787 130160541 /nfs/dbraw/zinc/16/05/41/130160541.db2.gz LZNNNLBFGIQPKJ-KGLIPLIRSA-N 0 3 313.825 3.347 20 10 DGCDHN CN(CCc1cnccn1)Cc1ccc(N2CCCCC2)cc1 ZINC000273761726 130163378 /nfs/dbraw/zinc/16/33/78/130163378.db2.gz PEFHECKFRWHRBY-UHFFFAOYSA-N 0 3 310.445 3.141 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c([O-])c1C ZINC000274375215 130229515 /nfs/dbraw/zinc/22/95/15/130229515.db2.gz LPVCIXYGBFHTNH-ZDUSSCGKSA-N 0 3 317.458 3.205 20 10 DGCDHN COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])CCO2 ZINC000274377011 130230097 /nfs/dbraw/zinc/23/00/97/130230097.db2.gz FKVNTWYRTBBGHI-HNNXBMFYSA-N 0 3 303.333 3.153 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)C)c([O-])c1 ZINC000275380786 130310555 /nfs/dbraw/zinc/31/05/55/130310555.db2.gz YPKNVNKJYFRTSF-CRAIPNDOSA-N 0 3 307.434 3.332 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCN(C)CC(F)(F)F)c([O-])c1 ZINC000284167113 131054388 /nfs/dbraw/zinc/05/43/88/131054388.db2.gz QFQAAPXVHNOSSC-LBPRGKRZSA-N 0 3 304.356 3.154 20 10 DGCDHN CCC[C@@]1(NCc2ccc(OC)c(COCC)c2)CCOC1 ZINC000285553164 131180013 /nfs/dbraw/zinc/18/00/13/131180013.db2.gz QXALMJJJYNPXHD-GOSISDBHSA-N 0 3 307.434 3.281 20 10 DGCDHN CSCc1ccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000285651278 131189626 /nfs/dbraw/zinc/18/96/26/131189626.db2.gz ZZMPVCUQYBWEMM-UHFFFAOYSA-N 0 3 317.410 3.274 20 10 DGCDHN CSCc1ccc(CNCc2cc3c(cc2O)OCO3)cc1 ZINC000285651278 131189627 /nfs/dbraw/zinc/18/96/27/131189627.db2.gz ZZMPVCUQYBWEMM-UHFFFAOYSA-N 0 3 317.410 3.274 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC3(CC(OCC)C3)C2)c1 ZINC000289266566 131370358 /nfs/dbraw/zinc/37/03/58/131370358.db2.gz FZUMWYFJSRFFMV-UHFFFAOYSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC3(CC(OCC)C3)C2)c1 ZINC000289266566 131370359 /nfs/dbraw/zinc/37/03/59/131370359.db2.gz FZUMWYFJSRFFMV-UHFFFAOYSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc(CNCc2cccc3c2OC(C)(C)C3)c1O ZINC000289489834 131390950 /nfs/dbraw/zinc/39/09/50/131390950.db2.gz RKISKOFNWNANNT-UHFFFAOYSA-N 0 3 313.397 3.404 20 10 DGCDHN COc1cccc(CNCc2c(C)nn(C(C)(C)C)c2C)c1O ZINC000289539792 131394576 /nfs/dbraw/zinc/39/45/76/131394576.db2.gz WSNHSJKODMROEL-UHFFFAOYSA-N 0 3 317.433 3.259 20 10 DGCDHN COCCCOc1ccc(C[NH2+]Cc2cccc(C)c2[O-])cc1 ZINC000289577804 131396860 /nfs/dbraw/zinc/39/68/60/131396860.db2.gz SXVYEEYVKUYADZ-UHFFFAOYSA-N 0 3 315.413 3.406 20 10 DGCDHN CC(C)CC(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297613703 132025298 /nfs/dbraw/zinc/02/52/98/132025298.db2.gz IPOACQGZUGFTJN-INIZCTEOSA-N 0 3 316.445 3.006 20 10 DGCDHN CN(C)c1ccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC000298707822 132074976 /nfs/dbraw/zinc/07/49/76/132074976.db2.gz JKHXJJDTQOJTBA-UHFFFAOYSA-N 0 3 323.440 3.016 20 10 DGCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093360737 400242620 /nfs/dbraw/zinc/24/26/20/400242620.db2.gz QZNOKCZCGOQHLR-KRWDZBQOSA-N 0 3 324.424 3.017 20 10 DGCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093360737 400242626 /nfs/dbraw/zinc/24/26/26/400242626.db2.gz QZNOKCZCGOQHLR-KRWDZBQOSA-N 0 3 324.424 3.017 20 10 DGCDHN COc1ccc([C@H](CO)N(C)Cc2cc(C)c(C)cc2O)cc1 ZINC000093415462 400246368 /nfs/dbraw/zinc/24/63/68/400246368.db2.gz HCOKZZMAFAKCNA-SFHVURJKSA-N 0 3 315.413 3.183 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCSC2)c1[O-] ZINC000384084577 685169135 /nfs/dbraw/zinc/16/91/35/685169135.db2.gz APYLIBMWTFSAEP-JTQLQIEISA-N 0 3 301.839 3.287 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c([O-])c1C ZINC000297390220 227103964 /nfs/dbraw/zinc/10/39/64/227103964.db2.gz RSTQKNYNZOGKHM-PBHICJAKSA-N 0 3 317.404 3.402 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1[N+](=O)[O-] ZINC000297634534 227396161 /nfs/dbraw/zinc/39/61/61/227396161.db2.gz JJVAVKVLQNRJFQ-CYBMUJFWSA-N 0 3 314.341 3.086 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1cccc2nccn21 ZINC000355129217 229304459 /nfs/dbraw/zinc/30/44/59/229304459.db2.gz WHSYMFXPQYJOGJ-UHFFFAOYSA-N 0 3 304.397 3.424 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000289243201 275061696 /nfs/dbraw/zinc/06/16/96/275061696.db2.gz DTZSPRUOOBQYOT-CEXWTWQISA-N 0 3 309.409 3.397 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000289243201 275061697 /nfs/dbraw/zinc/06/16/97/275061697.db2.gz DTZSPRUOOBQYOT-CEXWTWQISA-N 0 3 309.409 3.397 20 10 DGCDHN CN(C)c1ccc(CNC[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000280066688 276883410 /nfs/dbraw/zinc/88/34/10/276883410.db2.gz XHHYMUVVHYTAQQ-CYBMUJFWSA-N 0 3 302.340 3.040 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@H]1CCCc2nn(C)cc21 ZINC000358993260 280269987 /nfs/dbraw/zinc/26/99/87/280269987.db2.gz AVDRKSSNYHZLMS-INIZCTEOSA-N 0 3 308.429 3.387 20 10 DGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000093705155 431917539 /nfs/dbraw/zinc/91/75/39/431917539.db2.gz KNHFIOFDXSQETF-UHFFFAOYSA-N 0 3 319.445 3.430 20 10 DGCDHN CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000090846199 431895651 /nfs/dbraw/zinc/89/56/51/431895651.db2.gz QVCQOQWOIZCCCP-CQSZACIVSA-N 0 3 314.477 3.462 20 10 DGCDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000101905969 431990094 /nfs/dbraw/zinc/99/00/94/431990094.db2.gz GQHCNWKIOYNRRB-INIZCTEOSA-N 0 3 318.461 3.137 20 10 DGCDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000101905969 431990095 /nfs/dbraw/zinc/99/00/95/431990095.db2.gz GQHCNWKIOYNRRB-INIZCTEOSA-N 0 3 318.461 3.137 20 10 DGCDHN COCCOC[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000173390819 432275519 /nfs/dbraw/zinc/27/55/19/432275519.db2.gz ZWKAMWXZHVFJKD-HNNXBMFYSA-N 0 3 315.413 3.030 20 10 DGCDHN COCCOC[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000173390819 432275524 /nfs/dbraw/zinc/27/55/24/432275524.db2.gz ZWKAMWXZHVFJKD-HNNXBMFYSA-N 0 3 315.413 3.030 20 10 DGCDHN Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000183381134 432288139 /nfs/dbraw/zinc/28/81/39/432288139.db2.gz RQPHAEZRQQGDLV-HNNXBMFYSA-N 0 3 322.412 3.474 20 10 DGCDHN Cc1cccc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000183381134 432288140 /nfs/dbraw/zinc/28/81/40/432288140.db2.gz RQPHAEZRQQGDLV-HNNXBMFYSA-N 0 3 322.412 3.474 20 10 DGCDHN CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183426016 432292750 /nfs/dbraw/zinc/29/27/50/432292750.db2.gz XCEVCMUTFLGSNU-CQSZACIVSA-N 0 3 312.413 3.383 20 10 DGCDHN CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183432015 432293701 /nfs/dbraw/zinc/29/37/01/432293701.db2.gz LXINAKUJMCFDGN-CQSZACIVSA-N 0 3 318.461 3.470 20 10 DGCDHN C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000183515691 432300978 /nfs/dbraw/zinc/30/09/78/432300978.db2.gz CAGKSOVQFGEVSO-ZFWWWQNUSA-N 0 3 310.397 3.128 20 10 DGCDHN COc1c(C)cnc(CN(C)Cc2cc(F)ccc2O)c1C ZINC000183782664 432325763 /nfs/dbraw/zinc/32/57/63/432325763.db2.gz HGSSZEDUEZYWHL-UHFFFAOYSA-N 0 3 304.365 3.184 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192049425 432328030 /nfs/dbraw/zinc/32/80/30/432328030.db2.gz LJXBPTJSVGCWLH-HNNXBMFYSA-N 0 3 303.402 3.090 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192049425 432328033 /nfs/dbraw/zinc/32/80/33/432328033.db2.gz LJXBPTJSVGCWLH-HNNXBMFYSA-N 0 3 303.402 3.090 20 10 DGCDHN CN(C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271177721 432345653 /nfs/dbraw/zinc/34/56/53/432345653.db2.gz KSSSFMUQZYDWEB-INIZCTEOSA-N 0 3 310.441 3.443 20 10 DGCDHN CN(C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271177721 432345654 /nfs/dbraw/zinc/34/56/54/432345654.db2.gz KSSSFMUQZYDWEB-INIZCTEOSA-N 0 3 310.441 3.443 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000271190805 432347929 /nfs/dbraw/zinc/34/79/29/432347929.db2.gz OZZXFCKSAXBPTR-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000271190805 432347932 /nfs/dbraw/zinc/34/79/32/432347932.db2.gz OZZXFCKSAXBPTR-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192933483 432430152 /nfs/dbraw/zinc/43/01/52/432430152.db2.gz PEBPHFNYIUOLCV-SFHVURJKSA-N 0 3 310.441 3.312 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000192936359 432431217 /nfs/dbraw/zinc/43/12/17/432431217.db2.gz JHMDHLWZJXDQIO-CYBMUJFWSA-N 0 3 300.402 3.318 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000184997658 432453511 /nfs/dbraw/zinc/45/35/11/432453511.db2.gz VMYULVXJILNGIL-CABCVRRESA-N 0 3 314.473 3.406 20 10 DGCDHN COCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185012637 432455369 /nfs/dbraw/zinc/45/53/69/432455369.db2.gz YGEJTIZMTNTZBM-ZDUSSCGKSA-N 0 3 319.376 3.407 20 10 DGCDHN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185027685 432457271 /nfs/dbraw/zinc/45/72/71/432457271.db2.gz SUEFNXOXTCAFHQ-AWEZNQCLSA-N 0 3 312.413 3.301 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](C)C2)c1[O-] ZINC000271794041 432424518 /nfs/dbraw/zinc/42/45/18/432424518.db2.gz HLUOXRMNHCCOHL-MFKMUULPSA-N 0 3 314.223 3.120 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)c([O-])c1 ZINC000271805897 432425352 /nfs/dbraw/zinc/42/53/52/432425352.db2.gz JWGZKRFTACSRRF-OAHLLOKOSA-N 0 3 321.461 3.459 20 10 DGCDHN Cc1cccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000271812867 432425742 /nfs/dbraw/zinc/42/57/42/432425742.db2.gz LFUQUNMLXDNWNP-LRTDBIEQSA-N 0 3 303.427 3.289 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cnc(OC)c(Cl)c2)c1 ZINC000271855466 432426732 /nfs/dbraw/zinc/42/67/32/432426732.db2.gz SJDTUQMXIQMVOO-JTQLQIEISA-N 0 3 322.792 3.309 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCSC2)c1[O-] ZINC000271819331 432426926 /nfs/dbraw/zinc/42/69/26/432426926.db2.gz MODOVCWVYZRXRR-LLVKDONJSA-N 0 3 302.237 3.058 20 10 DGCDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc(C)ccc1O ZINC000185350523 432495054 /nfs/dbraw/zinc/49/50/54/432495054.db2.gz YHNCRXRWUDNDHA-GFCCVEGCSA-N 0 3 316.357 3.468 20 10 DGCDHN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C12CCC2 ZINC000185551424 432510682 /nfs/dbraw/zinc/51/06/82/432510682.db2.gz XEDYHEJUJUTLFK-ZLIFDBKOSA-N 0 3 305.418 3.399 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)NCC(=O)N(C)Cc2ccccc2)c1 ZINC000185079137 432463589 /nfs/dbraw/zinc/46/35/89/432463589.db2.gz WXQRXZMMBDIWTC-OAHLLOKOSA-N 0 3 312.413 3.010 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)c1 ZINC000185119732 432468884 /nfs/dbraw/zinc/46/88/84/432468884.db2.gz XBLSJDNAVXCFLR-STQMWFEESA-N 0 3 301.386 3.305 20 10 DGCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185129814 432470259 /nfs/dbraw/zinc/47/02/59/432470259.db2.gz VXDPZPWAFMSLNX-HZPDHXFCSA-N 0 3 315.413 3.100 20 10 DGCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000185129431 432470609 /nfs/dbraw/zinc/47/06/09/432470609.db2.gz YXORFANWWOHOKT-JKSUJKDBSA-N 0 3 315.413 3.100 20 10 DGCDHN CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000185658209 432520173 /nfs/dbraw/zinc/52/01/73/432520173.db2.gz IWIUOZRMGAAOGR-CQLHDSJLSA-N 0 3 313.438 3.262 20 10 DGCDHN COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185826685 432536142 /nfs/dbraw/zinc/53/61/42/432536142.db2.gz VNABEYRIMMENOO-RDTXWAMCSA-N 0 3 315.413 3.484 20 10 DGCDHN COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185825876 432536731 /nfs/dbraw/zinc/53/67/31/432536731.db2.gz VDUHAFWMOPUZTL-KSSFIOAISA-N 0 3 315.413 3.484 20 10 DGCDHN C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000186166153 432564745 /nfs/dbraw/zinc/56/47/45/432564745.db2.gz FLUYDYBYOUISHH-XIKOKIGWSA-N 0 3 301.361 3.016 20 10 DGCDHN CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186177083 432567152 /nfs/dbraw/zinc/56/71/52/432567152.db2.gz OPNCBCOHCJCRHS-CYBMUJFWSA-N 0 3 301.434 3.410 20 10 DGCDHN Cc1ncsc1/C=C/C(=O)N(CCN(C)C)c1ccccc1 ZINC000186341491 432584413 /nfs/dbraw/zinc/58/44/13/432584413.db2.gz YFBPQIWPBIZKJC-MDZDMXLPSA-N 0 3 315.442 3.060 20 10 DGCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(OC)c1 ZINC000273364894 432590691 /nfs/dbraw/zinc/59/06/91/432590691.db2.gz DXHDYYRLDXGVDY-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273463298 432601834 /nfs/dbraw/zinc/60/18/34/432601834.db2.gz IMZFUKAJVSFDHZ-QAPCUYQASA-N 0 3 324.424 3.152 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCN(C)C)c1[O-] ZINC000186913408 432637133 /nfs/dbraw/zinc/63/71/33/432637133.db2.gz ZRSDTFJRLLLZSD-NSHDSACASA-N 0 3 315.255 3.065 20 10 DGCDHN CCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187020308 432641626 /nfs/dbraw/zinc/64/16/26/432641626.db2.gz GACSCDKJRLZTNF-SNVBAGLBSA-N 0 3 302.212 3.150 20 10 DGCDHN CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187197557 432651794 /nfs/dbraw/zinc/65/17/94/432651794.db2.gz JBVKTNRTXPPONZ-CMPLNLGQSA-N 0 3 316.239 3.275 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000187909809 432692012 /nfs/dbraw/zinc/69/20/12/432692012.db2.gz YKZUGNAXFRYVSM-KUHUBIRLSA-N 0 3 315.413 3.349 20 10 DGCDHN CCc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000276456800 432808923 /nfs/dbraw/zinc/80/89/23/432808923.db2.gz VLTMEAZPTKRHOY-BFUOFWGJSA-N 0 3 315.413 3.347 20 10 DGCDHN COCCOc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296200082 432882348 /nfs/dbraw/zinc/88/23/48/432882348.db2.gz YXPNDJFPOXCKIH-MRXNPFEDSA-N 0 3 313.397 3.195 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000278966517 432922547 /nfs/dbraw/zinc/92/25/47/432922547.db2.gz HDTFIDJAVOSIQQ-OAHLLOKOSA-N 0 3 309.768 3.316 20 10 DGCDHN COC1CCN(c2ccc(CN3CCS[C@H](C)C3)cc2)CC1 ZINC000296963778 432943968 /nfs/dbraw/zinc/94/39/68/432943968.db2.gz CUACXWHRBZVMPX-OAHLLOKOSA-N 0 3 320.502 3.239 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@H](C)O)c1[O-] ZINC000279222869 432948212 /nfs/dbraw/zinc/94/82/12/432948212.db2.gz ZCPPEZBLFFJMQR-QWRGUYRKSA-N 0 3 316.239 3.275 20 10 DGCDHN Cc1cccc(C[NH+]2CCC(Oc3ccncc3C)CC2)c1[O-] ZINC000278656777 432898111 /nfs/dbraw/zinc/89/81/11/432898111.db2.gz JYXIASGZUMYMJB-UHFFFAOYSA-N 0 3 312.413 3.447 20 10 DGCDHN CC(C)[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1 ZINC000278801920 432903127 /nfs/dbraw/zinc/90/31/27/432903127.db2.gz XSHYQJJRLPGMMT-KRWDZBQOSA-N 0 3 315.413 3.043 20 10 DGCDHN CC(C)[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1 ZINC000278801920 432903128 /nfs/dbraw/zinc/90/31/28/432903128.db2.gz XSHYQJJRLPGMMT-KRWDZBQOSA-N 0 3 315.413 3.043 20 10 DGCDHN CCC[N@H+](CCc1ccccn1)Cc1cccc(OC)c1[O-] ZINC000289707138 432972835 /nfs/dbraw/zinc/97/28/35/432972835.db2.gz GLNFXWUCBFBGFB-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN CCC[N@@H+](CCc1ccccn1)Cc1cccc(OC)c1[O-] ZINC000289707138 432972839 /nfs/dbraw/zinc/97/28/39/432972839.db2.gz GLNFXWUCBFBGFB-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN Cc1cc(CNCc2ccc3c(c2)CCO3)cc(N2CCCC2)n1 ZINC000289880513 432979203 /nfs/dbraw/zinc/97/92/03/432979203.db2.gz RURCVIAPFABBEF-UHFFFAOYSA-N 0 3 323.440 3.215 20 10 DGCDHN CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(C)cc1[O-] ZINC000280026639 432999782 /nfs/dbraw/zinc/99/97/82/432999782.db2.gz HTKSMLARWODEMM-DQPZFDDXSA-N 0 3 304.434 3.189 20 10 DGCDHN CC[C@H](c1ccncc1)N(C)Cc1cc(OC)c(OC)cc1O ZINC000290375722 433040506 /nfs/dbraw/zinc/04/05/06/433040506.db2.gz HUUZFJUPHUVNAW-OAHLLOKOSA-N 0 3 316.401 3.388 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000291054123 433217457 /nfs/dbraw/zinc/21/74/57/433217457.db2.gz NUSHYXGROIDLBV-ZDUSSCGKSA-N 0 3 318.367 3.287 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1[O-] ZINC000291700831 433317868 /nfs/dbraw/zinc/31/78/68/433317868.db2.gz YYTTYXJGSFLTLG-QGZVFWFLSA-N 0 3 303.427 3.340 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1[O-] ZINC000375647665 433515968 /nfs/dbraw/zinc/51/59/68/433515968.db2.gz FKQXDQAUKITCCJ-RDJZCZTQSA-N 0 3 311.429 3.397 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1 ZINC000292856279 433602450 /nfs/dbraw/zinc/60/24/50/433602450.db2.gz UTHNVAJBLXTUGX-PIGZYNQJSA-N 0 3 319.426 3.254 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c([O-])c1 ZINC000283121391 433668755 /nfs/dbraw/zinc/66/87/55/433668755.db2.gz YZVSGELKUDHBFY-MRXNPFEDSA-N 0 3 315.417 3.082 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1 ZINC000294147412 434013652 /nfs/dbraw/zinc/01/36/52/434013652.db2.gz VFFPZHXLXJMTDE-SFHVURJKSA-N 0 3 307.434 3.021 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1 ZINC000294147412 434013658 /nfs/dbraw/zinc/01/36/58/434013658.db2.gz VFFPZHXLXJMTDE-SFHVURJKSA-N 0 3 307.434 3.021 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](Cc2ccccc2)OC)c1 ZINC000294704968 434126693 /nfs/dbraw/zinc/12/66/93/434126693.db2.gz DGVYEELBDNZBRS-SFHVURJKSA-N 0 3 315.413 3.138 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c([O-])c1 ZINC000294689534 434127597 /nfs/dbraw/zinc/12/75/97/434127597.db2.gz ILRDJWADBNVZDO-CQSZACIVSA-N 0 3 312.413 3.001 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c([O-])c1 ZINC000294706781 434127929 /nfs/dbraw/zinc/12/79/29/434127929.db2.gz BPCUMXRXILONCX-KRWDZBQOSA-N 0 3 307.434 3.428 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c([O-])c1 ZINC000294706781 434127942 /nfs/dbraw/zinc/12/79/42/434127942.db2.gz BPCUMXRXILONCX-KRWDZBQOSA-N 0 3 307.434 3.428 20 10 DGCDHN COc1ccc(O)c(CN(C)[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000294942114 434153016 /nfs/dbraw/zinc/15/30/16/434153016.db2.gz CJHJSZJPAHZRJR-INIZCTEOSA-N 0 3 321.804 3.220 20 10 DGCDHN CCCOc1ccc(C[NH2+]CCc2ncccc2C)c([O-])c1 ZINC000294993505 434157898 /nfs/dbraw/zinc/15/78/98/434157898.db2.gz KWUJODVXSGLYLI-UHFFFAOYSA-N 0 3 300.402 3.217 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]CCCc2ncccc2C)c1 ZINC000295060871 434174230 /nfs/dbraw/zinc/17/42/30/434174230.db2.gz QFQQUNRYTDJKLZ-UHFFFAOYSA-N 0 3 300.402 3.217 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c([O-])c1C ZINC000363870556 434175020 /nfs/dbraw/zinc/17/50/20/434175020.db2.gz XSUZVUGLSXWQGQ-XJKSGUPXSA-N 0 3 311.429 3.316 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CC(C)(C)O)c1[O-] ZINC000295067757 434177077 /nfs/dbraw/zinc/17/70/77/434177077.db2.gz OXVWKTDAGZMISB-JTQLQIEISA-N 0 3 316.239 3.102 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000364068496 434221300 /nfs/dbraw/zinc/22/13/00/434221300.db2.gz SQHBRQOVTNJMOE-MSOLQXFVSA-N 0 3 305.418 3.086 20 10 DGCDHN COc1ccc(O)c(CN[C@H](c2cccs2)C(C)(C)CO)c1 ZINC000296037408 434485195 /nfs/dbraw/zinc/48/51/95/434485195.db2.gz OSXSOJITDWRPTI-MRXNPFEDSA-N 0 3 321.442 3.312 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000296037408 434485205 /nfs/dbraw/zinc/48/52/05/434485205.db2.gz OSXSOJITDWRPTI-MRXNPFEDSA-N 0 3 321.442 3.312 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1cnn(-c3ccccc3)c1)CC2 ZINC000296042740 434486096 /nfs/dbraw/zinc/48/60/96/434486096.db2.gz QSWYSDBOAPYKJU-SFHVURJKSA-N 0 3 319.408 3.398 20 10 DGCDHN CC(C)(CO)[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccs1 ZINC000296060853 434493564 /nfs/dbraw/zinc/49/35/64/434493564.db2.gz QMHJTNUQEBDDBF-OAHLLOKOSA-N 0 3 309.406 3.442 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000368653157 434580201 /nfs/dbraw/zinc/58/02/01/434580201.db2.gz QCJRPDPVRNILDF-IGNZVWTISA-N 0 3 305.418 3.257 20 10 DGCDHN O=C(c1cccc2c1CCNC2)N1CC2(CCC2)c2ccccc21 ZINC000662809433 436390023 /nfs/dbraw/zinc/39/00/23/436390023.db2.gz HBAYNGVNGAUYDS-UHFFFAOYSA-N 0 3 318.420 3.414 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c([O-])c1C ZINC000273614487 301710106 /nfs/dbraw/zinc/71/01/06/301710106.db2.gz WXRUIIOYNODVPC-CYBMUJFWSA-N 0 3 308.422 3.184 20 10 DGCDHN COc1cc(Cl)cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[O-] ZINC000368043825 332216881 /nfs/dbraw/zinc/21/68/81/332216881.db2.gz QDXOWTXZNOJXMU-SWLSCSKDSA-N 0 3 324.852 3.113 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2C)c([O-])c1 ZINC000105442772 332251938 /nfs/dbraw/zinc/25/19/38/332251938.db2.gz SKMGNUOMQXZUPW-AWEZNQCLSA-N 0 3 317.433 3.112 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)(C)O ZINC000293659191 335114364 /nfs/dbraw/zinc/11/43/64/335114364.db2.gz NQSDMBHBDNKESB-LBPRGKRZSA-N 0 3 316.239 3.102 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000293661201 335114880 /nfs/dbraw/zinc/11/48/80/335114880.db2.gz IQEKYGJSYZZLIF-UKRRQHHQSA-N 0 3 307.434 3.240 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000184988459 500975307 /nfs/dbraw/zinc/97/53/07/500975307.db2.gz GOPXVSFJVVXUOM-CQSZACIVSA-N 0 3 308.385 3.132 20 10 DGCDHN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-] ZINC000176986337 533870879 /nfs/dbraw/zinc/87/08/79/533870879.db2.gz FFTSEUPHQPVDBH-NSHDSACASA-N 0 3 304.321 3.333 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCSC[C@@H](C)C2)c1[O-] ZINC000190845474 522534889 /nfs/dbraw/zinc/53/48/89/522534889.db2.gz AOCDMXKRUGGYEM-JTQLQIEISA-N 0 3 301.839 3.239 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCSC[C@@H](C)C2)c1[O-] ZINC000190845474 522534910 /nfs/dbraw/zinc/53/49/10/522534910.db2.gz AOCDMXKRUGGYEM-JTQLQIEISA-N 0 3 301.839 3.239 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000129712176 534203519 /nfs/dbraw/zinc/20/35/19/534203519.db2.gz IBTPUWLGTKQFLB-GFCCVEGCSA-N 0 3 316.357 3.202 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN(C)Cc2ccccc2)c1 ZINC000185111434 534204659 /nfs/dbraw/zinc/20/46/59/534204659.db2.gz FVDSHGSTAWKKTH-HNNXBMFYSA-N 0 3 314.429 3.183 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c([O-])c1 ZINC000184988866 534226200 /nfs/dbraw/zinc/22/62/00/534226200.db2.gz VHGJXIJJHDAYKI-AWEZNQCLSA-N 0 3 308.385 3.132 20 10 DGCDHN CCCNC(=O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000158351281 519879981 /nfs/dbraw/zinc/87/99/81/519879981.db2.gz XAYGFBTXXSRDLO-INIZCTEOSA-N 0 3 317.477 3.244 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCC[S@@](=O)C(C)(C)C)cc1 ZINC000127275185 520283661 /nfs/dbraw/zinc/28/36/61/520283661.db2.gz ROCGMNXBLFMWRL-SZNDQCEHSA-N 0 3 310.507 3.341 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000163625337 520287377 /nfs/dbraw/zinc/28/73/77/520287377.db2.gz VCDANFXPEDOFOH-KGLIPLIRSA-N 0 3 305.466 3.097 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@](CC)(CO)C2)c([O-])c1 ZINC000190212091 520348326 /nfs/dbraw/zinc/34/83/26/520348326.db2.gz GEDTXIXEMBVLGS-GOSISDBHSA-N 0 3 307.434 3.166 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@](CC)(CO)C2)c([O-])c1 ZINC000190212091 520348344 /nfs/dbraw/zinc/34/83/44/520348344.db2.gz GEDTXIXEMBVLGS-GOSISDBHSA-N 0 3 307.434 3.166 20 10 DGCDHN CCSc1cc(CNCc2ccc3c(c2)CCO3)ccn1 ZINC000189605249 521734129 /nfs/dbraw/zinc/73/41/29/521734129.db2.gz ZUKFSKNOHCYVRE-UHFFFAOYSA-N 0 3 300.427 3.418 20 10 DGCDHN CC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000156961095 522638656 /nfs/dbraw/zinc/63/86/56/522638656.db2.gz BQBFSUMMKRRSSK-WMZOPIPTSA-N 0 3 303.377 3.480 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000266341611 522883143 /nfs/dbraw/zinc/88/31/43/522883143.db2.gz YLKVZFIGERBHIO-PBHICJAKSA-N 0 3 307.340 3.272 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2)c1 ZINC000182432590 524766570 /nfs/dbraw/zinc/76/65/70/524766570.db2.gz QPBYCWMCBBYJAA-CHWSQXEVSA-N 0 3 314.385 3.079 20 10 DGCDHN Cc1ccc([C@@H](O)CNCc2ccc(N3CCCCC3)cc2)o1 ZINC000266000440 525780083 /nfs/dbraw/zinc/78/00/83/525780083.db2.gz OWUIOSKROXARIJ-SFHVURJKSA-N 0 3 314.429 3.402 20 10 DGCDHN CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265738634 525819532 /nfs/dbraw/zinc/81/95/32/525819532.db2.gz DFSQVMVKXALOTF-UGSOOPFHSA-N 0 3 317.454 3.261 20 10 DGCDHN COc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1[O-] ZINC000237366019 526009962 /nfs/dbraw/zinc/00/99/62/526009962.db2.gz JFBXLQIQUILEII-UHFFFAOYSA-N 0 3 312.413 3.159 20 10 DGCDHN c1cc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000367722932 526435918 /nfs/dbraw/zinc/43/59/18/526435918.db2.gz BYZDUMUHELNEPC-FQEVSTJZSA-N 0 3 323.440 3.255 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]CC[C@H](O)c2ccccc2)c1 ZINC000289176339 535751705 /nfs/dbraw/zinc/75/17/05/535751705.db2.gz AAKHEHAIBZSIAO-SFHVURJKSA-N 0 3 301.386 3.004 20 10 DGCDHN CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([O-])cs3)C2)CC1 ZINC000731872885 574560498 /nfs/dbraw/zinc/56/04/98/574560498.db2.gz SXRLFUWBABMQOR-CQSZACIVSA-N 0 3 322.474 3.038 20 10 DGCDHN CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613226 574632261 /nfs/dbraw/zinc/63/22/61/574632261.db2.gz FYWATBOIXGISTK-GOSISDBHSA-N 0 3 321.461 3.170 20 10 DGCDHN CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613226 574632263 /nfs/dbraw/zinc/63/22/63/574632263.db2.gz FYWATBOIXGISTK-GOSISDBHSA-N 0 3 321.461 3.170 20 10 DGCDHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733806637 574639003 /nfs/dbraw/zinc/63/90/03/574639003.db2.gz GMTDNZZYXNRQRA-UONOGXRCSA-N 0 3 322.474 3.180 20 10 DGCDHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733806637 574639005 /nfs/dbraw/zinc/63/90/05/574639005.db2.gz GMTDNZZYXNRQRA-UONOGXRCSA-N 0 3 322.474 3.180 20 10 DGCDHN COc1ccc(CNC[C@](C)(O)c2ccc(F)cc2F)cc1C ZINC000734004200 574646710 /nfs/dbraw/zinc/64/67/10/574646710.db2.gz UTXYHXKCEONWCD-SFHVURJKSA-N 0 3 321.367 3.279 20 10 DGCDHN CN(Cc1ccc(N(C)C)cc1)C[C@@H]1OCCc2ccccc21 ZINC000734636869 574671871 /nfs/dbraw/zinc/67/18/71/574671871.db2.gz CDRMNDFCKVLQFB-FQEVSTJZSA-N 0 3 310.441 3.498 20 10 DGCDHN COc1ccc(O)c(CNCc2ccc(OC)c(Cl)c2)c1 ZINC000742371247 574993085 /nfs/dbraw/zinc/99/30/85/574993085.db2.gz LZHYOGHASDRBGV-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])C12CCCC2 ZINC000742390951 574996007 /nfs/dbraw/zinc/99/60/07/574996007.db2.gz WKLBOSWZXKEGGJ-JKSUJKDBSA-N 0 3 305.418 3.228 20 10 DGCDHN COC(=O)/C(C)=C/CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000748810122 575608958 /nfs/dbraw/zinc/60/89/58/575608958.db2.gz QQLPWAXXTNDXQQ-LFIBNONCSA-N 0 3 316.445 3.228 20 10 DGCDHN Cc1cc(CN2CCN(C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000749674852 575672122 /nfs/dbraw/zinc/67/21/22/575672122.db2.gz DSMZZFKHZVOCEG-UHFFFAOYSA-N 0 3 302.462 3.278 20 10 DGCDHN CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000750827076 575754164 /nfs/dbraw/zinc/75/41/64/575754164.db2.gz VJTVNYCWBRCLNJ-LRDDRELGSA-N 0 3 322.424 3.039 20 10 DGCDHN CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000750827076 575754165 /nfs/dbraw/zinc/75/41/65/575754165.db2.gz VJTVNYCWBRCLNJ-LRDDRELGSA-N 0 3 322.424 3.039 20 10 DGCDHN CS[C@@H](C)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000752099420 575823293 /nfs/dbraw/zinc/82/32/93/575823293.db2.gz IBKPAHLKHSIKIA-ZDUSSCGKSA-N 0 3 323.462 3.426 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000725850027 575931655 /nfs/dbraw/zinc/93/16/55/575931655.db2.gz DNEWVKBOPHWGSH-UHFFFAOYSA-N 0 3 314.360 3.354 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H](C)COc2ccccc2)c1[O-] ZINC000728781913 576201817 /nfs/dbraw/zinc/20/18/17/576201817.db2.gz JEQAXQSGOQLLAZ-AWEZNQCLSA-N 0 3 301.386 3.348 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)C[C@H]1NCc2ccccc21 ZINC000852800577 620649462 /nfs/dbraw/zinc/64/94/62/620649462.db2.gz QFRWGUROLXAQBH-GOSISDBHSA-N 0 3 324.424 3.365 20 10 DGCDHN CCn1nccc1CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000853094431 620667830 /nfs/dbraw/zinc/66/78/30/620667830.db2.gz XOFYPAUDVABSHZ-UHFFFAOYSA-N 0 3 317.433 3.205 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)c2c1 ZINC000853586649 620712944 /nfs/dbraw/zinc/71/29/44/620712944.db2.gz VTJKDPBAAZVXIK-HUUCEWRRSA-N 0 3 313.397 3.022 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4COC[C@H]4C3)c2c1 ZINC000853586649 620712949 /nfs/dbraw/zinc/71/29/49/620712949.db2.gz VTJKDPBAAZVXIK-HUUCEWRRSA-N 0 3 313.397 3.022 20 10 DGCDHN CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1(C)C ZINC000892102047 617962167 /nfs/dbraw/zinc/96/21/67/617962167.db2.gz REYOSEVFFMAJKU-CABCVRRESA-N 0 3 323.433 3.045 20 10 DGCDHN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1(C)C ZINC000892102047 617962169 /nfs/dbraw/zinc/96/21/69/617962169.db2.gz REYOSEVFFMAJKU-CABCVRRESA-N 0 3 323.433 3.045 20 10 DGCDHN COc1ccc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c([O-])c1OC ZINC000892203090 617983972 /nfs/dbraw/zinc/98/39/72/617983972.db2.gz QEOZLTWSKRPIIB-KSSFIOAISA-N 0 3 323.433 3.045 20 10 DGCDHN COc1ccc(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c([O-])c1OC ZINC000892203090 617983975 /nfs/dbraw/zinc/98/39/75/617983975.db2.gz QEOZLTWSKRPIIB-KSSFIOAISA-N 0 3 323.433 3.045 20 10 DGCDHN COc1ccc(CN2CCC[C@@H]2c2ccncc2)c(O)c1OC ZINC000894450122 618335447 /nfs/dbraw/zinc/33/54/47/618335447.db2.gz SDDRVUQIDBOKOJ-OAHLLOKOSA-N 0 3 314.385 3.142 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1nccn1C1CC1 ZINC000894939158 618501939 /nfs/dbraw/zinc/50/19/39/618501939.db2.gz IOILDXZZMWAAMG-OAHLLOKOSA-N 0 3 312.461 3.313 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2C)cc1O ZINC000840912049 618525648 /nfs/dbraw/zinc/52/56/48/618525648.db2.gz ZFUDWZNMASPXSH-UHFFFAOYSA-N 0 3 314.429 3.407 20 10 DGCDHN COc1ccc(CN2CCc3cc(C)ccc3C2)c(O)c1OC ZINC000893980233 618687052 /nfs/dbraw/zinc/68/70/52/618687052.db2.gz HXEXKKKMCXIEQK-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000894092803 618708275 /nfs/dbraw/zinc/70/82/75/618708275.db2.gz BYQSZQFJSDSPRI-SJKOYZFVSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000894092803 618708277 /nfs/dbraw/zinc/70/82/77/618708277.db2.gz BYQSZQFJSDSPRI-SJKOYZFVSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000894092803 618708279 /nfs/dbraw/zinc/70/82/79/618708279.db2.gz BYQSZQFJSDSPRI-SJKOYZFVSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000894092803 618708281 /nfs/dbraw/zinc/70/82/81/618708281.db2.gz BYQSZQFJSDSPRI-SJKOYZFVSA-N 0 3 322.399 3.119 20 10 DGCDHN COc1cc(C)cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000894192388 618726434 /nfs/dbraw/zinc/72/64/34/618726434.db2.gz BJWNVCYSUYXSSX-LBPRGKRZSA-N 0 3 316.357 3.468 20 10 DGCDHN COc1cc(C)cc(CNCc2nc3ccc(C)cc3[nH]2)c1O ZINC000894310021 618760478 /nfs/dbraw/zinc/76/04/78/618760478.db2.gz FZABHIGYTAGZQK-UHFFFAOYSA-N 0 3 311.385 3.184 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@H](c3nccs3)C2)cc1F ZINC000895585104 618802891 /nfs/dbraw/zinc/80/28/91/618802891.db2.gz WBOVQXABXVVTLR-ZDUSSCGKSA-N 0 3 305.422 3.338 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCCOC1 ZINC000895665026 618814237 /nfs/dbraw/zinc/81/42/37/618814237.db2.gz WZMFCAIATWSUJE-BXUZGUMPSA-N 0 3 313.825 3.349 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c1[O-] ZINC000895790756 618831458 /nfs/dbraw/zinc/83/14/58/618831458.db2.gz KVIQLBJOQDOSJF-ZDUSSCGKSA-N 0 3 311.809 3.103 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000895799060 618833251 /nfs/dbraw/zinc/83/32/51/618833251.db2.gz GRGYTRGZVNUBRR-MRXNPFEDSA-N 0 3 319.445 3.156 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000897267601 619039507 /nfs/dbraw/zinc/03/95/07/619039507.db2.gz MXBROXDJVDEZTD-INIZCTEOSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000897267601 619039509 /nfs/dbraw/zinc/03/95/09/619039509.db2.gz MXBROXDJVDEZTD-INIZCTEOSA-N 0 3 319.445 3.430 20 10 DGCDHN Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c([O-])c1O ZINC000909605475 619058265 /nfs/dbraw/zinc/05/82/65/619058265.db2.gz ZBOADARXLFBJEW-UHFFFAOYSA-N 0 3 314.385 3.029 20 10 DGCDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000897466619 619130914 /nfs/dbraw/zinc/13/09/14/619130914.db2.gz YFUIQGDPCJHNDF-NSHDSACASA-N 0 3 304.321 3.333 20 10 DGCDHN Cc1cc([O-])c(CN2CCC([NH2+]C3CCC3)CC2)cc1Cl ZINC000897982741 619202959 /nfs/dbraw/zinc/20/29/59/619202959.db2.gz QPNCYNZKGZQBBQ-UHFFFAOYSA-N 0 3 308.853 3.461 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cnn(CC2CCC2)c1 ZINC000898179064 619223274 /nfs/dbraw/zinc/22/32/74/619223274.db2.gz GZDKBEWEAIOPMO-LBPRGKRZSA-N 0 3 303.381 3.379 20 10 DGCDHN NC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CCCCC1 ZINC000841039212 619241144 /nfs/dbraw/zinc/24/11/44/619241144.db2.gz FPMANQYBOOZTMR-ZDUSSCGKSA-N 0 3 300.805 3.182 20 10 DGCDHN [NH3+]C[C@H](NCc1c([O-])ccc(Cl)c1F)C1CCCCC1 ZINC000841039212 619241146 /nfs/dbraw/zinc/24/11/46/619241146.db2.gz FPMANQYBOOZTMR-ZDUSSCGKSA-N 0 3 300.805 3.182 20 10 DGCDHN CC[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccccc1[O-] ZINC000926966222 619254052 /nfs/dbraw/zinc/25/40/52/619254052.db2.gz ZFLKBVJPDDOCPS-OCCSQVGLSA-N 0 3 304.356 3.316 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)c2c1c(F)ccc2[O-] ZINC000902437013 619635847 /nfs/dbraw/zinc/63/58/47/619635847.db2.gz GHLKTPQPWANSFV-NYGAIPDWSA-N 0 3 312.388 3.294 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC000903174994 619730293 /nfs/dbraw/zinc/73/02/93/619730293.db2.gz BRECDKGGDNSCQR-WZRBSPASSA-N 0 3 301.308 3.079 20 10 DGCDHN CC[C@H](NCc1cc(N(C)C)ccn1)c1ccc(N(C)C)cc1 ZINC000903202051 619736104 /nfs/dbraw/zinc/73/61/04/619736104.db2.gz VEADLYPKMCICQT-IBGZPJMESA-N 0 3 312.461 3.455 20 10 DGCDHN CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000903238725 619742114 /nfs/dbraw/zinc/74/21/14/619742114.db2.gz URFJZDVAUQELOW-CYBMUJFWSA-N 0 3 318.417 3.026 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCc2cnn(CCF)c2)cc1 ZINC000903274354 619750606 /nfs/dbraw/zinc/75/06/06/619750606.db2.gz WCJPOUNGZPJAGK-AWEZNQCLSA-N 0 3 304.413 3.160 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)c1[O-] ZINC000903395296 619767025 /nfs/dbraw/zinc/76/70/25/619767025.db2.gz KUCGXPACSSGDRB-OUJBWJOFSA-N 0 3 314.223 3.149 20 10 DGCDHN CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1=O ZINC000903389782 619770958 /nfs/dbraw/zinc/77/09/58/619770958.db2.gz XFUPDQGOGNNIQX-SMDDNHRTSA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN1CCOc2ccc(N)cc2C1 ZINC000903945142 619842969 /nfs/dbraw/zinc/84/29/69/619842969.db2.gz QUTDIEHHPKMZJP-UHFFFAOYSA-N 0 3 311.429 3.038 20 10 DGCDHN Cn1nccc1[C@@H]1CCCN1Cc1cc2c(cc1O)CCCC2 ZINC000905734054 620024143 /nfs/dbraw/zinc/02/41/43/620024143.db2.gz BDEIKDFEPBDPOD-SFHVURJKSA-N 0 3 311.429 3.342 20 10 DGCDHN O=C(c1ccc(NC2=NCCC2)cc1)N1Cc2cccc(O)c2C1 ZINC000913725793 620475016 /nfs/dbraw/zinc/47/50/16/620475016.db2.gz APXAPFSIFMJLTF-UHFFFAOYSA-N 0 3 321.380 3.152 20 10 DGCDHN CCCN1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000915816646 620599272 /nfs/dbraw/zinc/59/92/72/620599272.db2.gz MWALLTPWHMKRTG-UHFFFAOYSA-N 0 3 320.477 3.226 20 10 DGCDHN COc1cc2c(cc1CNCc1cc(C)ccc1O)O[C@H](C)C2 ZINC000113319775 620900538 /nfs/dbraw/zinc/90/05/38/620900538.db2.gz CFBDVDIBWVFTPE-CYBMUJFWSA-N 0 3 313.397 3.322 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cnn(C3CCC3)c2)c1 ZINC000922215671 621006913 /nfs/dbraw/zinc/00/69/13/621006913.db2.gz DNZDSJARZWTEDB-GFCCVEGCSA-N 0 3 301.390 3.173 20 10 DGCDHN COC(OC)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000922311189 621021525 /nfs/dbraw/zinc/02/15/25/621021525.db2.gz CIIGWWCUMOEODF-ZDUSSCGKSA-N 0 3 301.386 3.156 20 10 DGCDHN COc1cncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000859140387 621252881 /nfs/dbraw/zinc/25/28/81/621252881.db2.gz URLFYYWNUWRUEB-UHFFFAOYSA-N 0 3 313.401 3.136 20 10 DGCDHN COc1cncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000859140387 621252883 /nfs/dbraw/zinc/25/28/83/621252883.db2.gz URLFYYWNUWRUEB-UHFFFAOYSA-N 0 3 313.401 3.136 20 10 DGCDHN c1cc(N2CCCCC2)ccc1CN1CC2(C1)CCCOC2 ZINC000839138571 621339464 /nfs/dbraw/zinc/33/94/64/621339464.db2.gz NMEGAVFTRRVSHF-UHFFFAOYSA-N 0 3 300.446 3.289 20 10 DGCDHN OCCC1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000839135867 621339516 /nfs/dbraw/zinc/33/95/16/621339516.db2.gz JRAGWLFANWBHMF-UHFFFAOYSA-N 0 3 322.452 3.064 20 10 DGCDHN CN(C)c1cc(F)c(CN2CC[C@H](C3CCOCC3)C2)cc1F ZINC000862250519 621567524 /nfs/dbraw/zinc/56/75/24/621567524.db2.gz PZLUTWJBUHSGLF-AWEZNQCLSA-N 0 3 324.415 3.279 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000862253101 621567963 /nfs/dbraw/zinc/56/79/63/621567963.db2.gz IQZWHLUSIDGSKW-UONOGXRCSA-N 0 3 324.415 3.279 20 10 DGCDHN CN1C[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])CCC1=O ZINC000862428437 621588585 /nfs/dbraw/zinc/58/85/85/621588585.db2.gz QGHFIPAJGMOBKB-GOSISDBHSA-N 0 3 324.424 3.112 20 10 DGCDHN CN1C[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])CCC1=O ZINC000862428437 621588586 /nfs/dbraw/zinc/58/85/86/621588586.db2.gz QGHFIPAJGMOBKB-GOSISDBHSA-N 0 3 324.424 3.112 20 10 DGCDHN COC(=O)Cc1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC000862448200 621591503 /nfs/dbraw/zinc/59/15/03/621591503.db2.gz VJOQVBXCGJXAAY-UHFFFAOYSA-N 0 3 313.397 3.009 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCCOC[C@H]2CCCO2)c2c1c(F)ccc2[O-] ZINC000756357030 621630524 /nfs/dbraw/zinc/63/05/24/621630524.db2.gz BIRAWZJSNNWHJM-UMVBOHGHSA-N 0 3 323.408 3.255 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756355697 621630652 /nfs/dbraw/zinc/63/06/52/621630652.db2.gz VKYNRNFUCVPQQD-XFJVYGCCSA-N 0 3 301.361 3.403 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c2cnn3C)c2c1c(F)ccc2[O-] ZINC000756403763 621635885 /nfs/dbraw/zinc/63/58/85/621635885.db2.gz QYQKQIFGOPJZOY-SWHYSGLUSA-N 0 3 315.392 3.480 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756433734 621638337 /nfs/dbraw/zinc/63/83/37/621638337.db2.gz YGYRENBFOGVUJQ-GXTWGEPZSA-N 0 3 320.408 3.072 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000756457846 621639562 /nfs/dbraw/zinc/63/95/62/621639562.db2.gz RRSMEYXDMPCEFP-OLZOCXBDSA-N 0 3 301.361 3.433 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2CO)c2c1c(F)ccc2[O-] ZINC000756459508 621640181 /nfs/dbraw/zinc/64/01/81/621640181.db2.gz ORKDJHMXMWKENR-NHYWBVRUSA-N 0 3 301.361 3.362 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000756460838 621640190 /nfs/dbraw/zinc/64/01/90/621640190.db2.gz UIRHEQNVTUYNLI-HIFRSBDPSA-N 0 3 303.377 3.033 20 10 DGCDHN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756537081 621646091 /nfs/dbraw/zinc/64/60/91/621646091.db2.gz ZTFNCEFKNIIUOV-ISTVAULSSA-N 0 3 303.381 3.472 20 10 DGCDHN Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)o1 ZINC000756603428 621652294 /nfs/dbraw/zinc/65/22/94/621652294.db2.gz BPDNXAOWSRYLME-GAJTVXKRSA-N 0 3 305.349 3.304 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2nc3cc(C)ccc3[nH]2)c1 ZINC000756630997 621654179 /nfs/dbraw/zinc/65/41/79/621654179.db2.gz WXEAXIDVFMCZQC-GFCCVEGCSA-N 0 3 311.385 3.436 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)c1 ZINC000756630997 621654180 /nfs/dbraw/zinc/65/41/80/621654180.db2.gz WXEAXIDVFMCZQC-GFCCVEGCSA-N 0 3 311.385 3.436 20 10 DGCDHN COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756638641 621655045 /nfs/dbraw/zinc/65/50/45/621655045.db2.gz VKEOMNGQKBFDFL-CZUORRHYSA-N 0 3 303.377 3.440 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756640102 621655183 /nfs/dbraw/zinc/65/51/83/621655183.db2.gz IRUPUQUBAOJXII-FJJYHAOUSA-N 0 3 304.409 3.294 20 10 DGCDHN COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756638637 621655335 /nfs/dbraw/zinc/65/53/35/621655335.db2.gz VKEOMNGQKBFDFL-BBRMVZONSA-N 0 3 303.377 3.440 20 10 DGCDHN COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])C2 ZINC000756776231 621663755 /nfs/dbraw/zinc/66/37/55/621663755.db2.gz XISLTPULYXWZOF-DZGCQCFKSA-N 0 3 313.397 3.364 20 10 DGCDHN CO[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(F)(F)F ZINC000756835120 621667138 /nfs/dbraw/zinc/66/71/38/621667138.db2.gz MTYWDSQPRBUXOH-JVUFJMBOSA-N 0 3 307.287 3.247 20 10 DGCDHN C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000863548554 621683036 /nfs/dbraw/zinc/68/30/36/621683036.db2.gz ZVTBRCOWNHWGRE-UTLUCORTSA-N 0 3 303.233 3.490 20 10 DGCDHN C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000863548554 621683037 /nfs/dbraw/zinc/68/30/37/621683037.db2.gz ZVTBRCOWNHWGRE-UTLUCORTSA-N 0 3 303.233 3.490 20 10 DGCDHN COCC1(C)CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000761213026 621994856 /nfs/dbraw/zinc/99/48/56/621994856.db2.gz AKPZXUVWZDRJQK-UHFFFAOYSA-N 0 3 313.825 3.303 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCSCCC(F)(F)F ZINC000865788209 621996278 /nfs/dbraw/zinc/99/62/78/621996278.db2.gz HZPHWJAZBYPFMG-UHFFFAOYSA-N 0 3 309.353 3.176 20 10 DGCDHN CCOc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c([O-])c1 ZINC000865857333 622009636 /nfs/dbraw/zinc/00/96/36/622009636.db2.gz REIMTQWPMVFGPK-KRWDZBQOSA-N 0 3 305.418 3.372 20 10 DGCDHN c1cnc2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000866241173 622074047 /nfs/dbraw/zinc/07/40/47/622074047.db2.gz XTWGVLWDVMRLGT-HXUWFJFHSA-N 0 3 323.440 3.085 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1[O-] ZINC000866446048 622120059 /nfs/dbraw/zinc/12/00/59/622120059.db2.gz OEFISODGUZYHMV-YTRYYAAASA-N 0 3 307.821 3.428 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1cc(F)ccc1[O-] ZINC000866563049 622138741 /nfs/dbraw/zinc/13/87/41/622138741.db2.gz JGJCBJSPIVCLTA-PXAZEXFGSA-N 0 3 300.377 3.369 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000766090534 622305075 /nfs/dbraw/zinc/30/50/75/622305075.db2.gz VIMNBYAPDZRDIG-DLBZAZTESA-N 0 3 307.434 3.473 20 10 DGCDHN C[C@H](O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000789758203 625562318 /nfs/dbraw/zinc/56/23/18/625562318.db2.gz QMWCONNDZTYHBP-HNNXBMFYSA-N 0 3 315.413 3.222 20 10 DGCDHN CCOC(CN(Cc1ccc(N(C)C)cc1)C1CC1)OCC ZINC000767757687 622420186 /nfs/dbraw/zinc/42/01/86/622420186.db2.gz AHURRFIEUNRGNO-UHFFFAOYSA-N 0 3 306.450 3.116 20 10 DGCDHN C[N@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439049 622455622 /nfs/dbraw/zinc/45/56/22/622455622.db2.gz YVTPZGPBKCAVSP-INIZCTEOSA-N 0 3 319.788 3.103 20 10 DGCDHN C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439049 622455623 /nfs/dbraw/zinc/45/56/23/622455623.db2.gz YVTPZGPBKCAVSP-INIZCTEOSA-N 0 3 319.788 3.103 20 10 DGCDHN CC(C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768465162 622457934 /nfs/dbraw/zinc/45/79/34/622457934.db2.gz XXBZBZQNKFBGKK-QGZVFWFLSA-N 0 3 305.418 3.076 20 10 DGCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c([O-])c1 ZINC000768892086 622483726 /nfs/dbraw/zinc/48/37/26/622483726.db2.gz FZELGONQDGOAGT-OAHLLOKOSA-N 0 3 315.413 3.174 20 10 DGCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c([O-])c1 ZINC000768892086 622483727 /nfs/dbraw/zinc/48/37/27/622483727.db2.gz FZELGONQDGOAGT-OAHLLOKOSA-N 0 3 315.413 3.174 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)c1[O-] ZINC000769472904 622531345 /nfs/dbraw/zinc/53/13/45/622531345.db2.gz KRVJSMPDFOSTOR-CVEARBPZSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)c1[O-] ZINC000769472904 622531348 /nfs/dbraw/zinc/53/13/48/622531348.db2.gz KRVJSMPDFOSTOR-CVEARBPZSA-N 0 3 307.434 3.426 20 10 DGCDHN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1c([O-])cccc1OC ZINC000769498067 622533987 /nfs/dbraw/zinc/53/39/87/622533987.db2.gz LGUHOFSHYWOMBH-MRXNPFEDSA-N 0 3 315.413 3.174 20 10 DGCDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1OC ZINC000769498067 622533988 /nfs/dbraw/zinc/53/39/88/622533988.db2.gz LGUHOFSHYWOMBH-MRXNPFEDSA-N 0 3 315.413 3.174 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1[O-] ZINC000769548145 622539552 /nfs/dbraw/zinc/53/95/52/622539552.db2.gz FZGUDFPRWFUSQI-QAPCUYQASA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1[O-] ZINC000769548145 622539555 /nfs/dbraw/zinc/53/95/55/622539555.db2.gz FZGUDFPRWFUSQI-QAPCUYQASA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c([O-])c1 ZINC000770319685 622621314 /nfs/dbraw/zinc/62/13/14/622621314.db2.gz AMDIVHWPQDWJTC-YOEHRIQHSA-N 0 3 315.417 3.071 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c([O-])c1 ZINC000770319685 622621319 /nfs/dbraw/zinc/62/13/19/622621319.db2.gz AMDIVHWPQDWJTC-YOEHRIQHSA-N 0 3 315.417 3.071 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770510860 622641089 /nfs/dbraw/zinc/64/10/89/622641089.db2.gz SMZAGWLNYOBQQI-AWEZNQCLSA-N 0 3 320.433 3.129 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770510860 622641092 /nfs/dbraw/zinc/64/10/92/622641092.db2.gz SMZAGWLNYOBQQI-AWEZNQCLSA-N 0 3 320.433 3.129 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770510861 622641472 /nfs/dbraw/zinc/64/14/72/622641472.db2.gz SMZAGWLNYOBQQI-CQSZACIVSA-N 0 3 320.433 3.129 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770510861 622641476 /nfs/dbraw/zinc/64/14/76/622641476.db2.gz SMZAGWLNYOBQQI-CQSZACIVSA-N 0 3 320.433 3.129 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1[O-] ZINC000872111280 622814236 /nfs/dbraw/zinc/81/42/36/622814236.db2.gz CAXZNUJAUDJVSI-RYUDHWBXSA-N 0 3 311.809 3.348 20 10 DGCDHN C[C@@H](NCc1ccc2oc(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000872123655 622820678 /nfs/dbraw/zinc/82/06/78/622820678.db2.gz SVQYBNJBUUTODE-GFCCVEGCSA-N 0 3 311.385 3.450 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)c2ccccc2)c([O-])c1 ZINC000873194993 623070036 /nfs/dbraw/zinc/07/00/36/623070036.db2.gz XJYUTFXHRKYDSB-PKOBYXMFSA-N 0 3 315.413 3.393 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](CC)[C@H](O)c2ccccc2)c([O-])c1 ZINC000873194991 623070310 /nfs/dbraw/zinc/07/03/10/623070310.db2.gz XJYUTFXHRKYDSB-IEBWSBKVSA-N 0 3 315.413 3.393 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)c2ccccc2)c([O-])c1 ZINC000873194990 623070589 /nfs/dbraw/zinc/07/05/89/623070589.db2.gz XJYUTFXHRKYDSB-HKUYNNGSSA-N 0 3 315.413 3.393 20 10 DGCDHN CCCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774483312 623151112 /nfs/dbraw/zinc/15/11/12/623151112.db2.gz JQNTXZDHFDTHIE-CABCVRRESA-N 0 3 305.466 3.098 20 10 DGCDHN CCC(CC)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774482084 623151159 /nfs/dbraw/zinc/15/11/59/623151159.db2.gz FOPLVHYOOLXXOX-KGLIPLIRSA-N 0 3 305.466 3.097 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000775128394 623234025 /nfs/dbraw/zinc/23/40/25/623234025.db2.gz ASEAHWLHCRWWMA-KKUMJFAQSA-N 0 3 324.424 3.409 20 10 DGCDHN C[C@@H](NCc1cc(-c2cccnc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000775361700 623259568 /nfs/dbraw/zinc/25/95/68/623259568.db2.gz DQNYTEKXBKLJCC-CQSZACIVSA-N 0 3 321.428 3.389 20 10 DGCDHN CCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)nc1 ZINC000775370739 623261530 /nfs/dbraw/zinc/26/15/30/623261530.db2.gz PVMHBHMIZOKBOY-LBPRGKRZSA-N 0 3 302.374 3.045 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)N1CCC(OC)CC1)c1ccccc1[O-] ZINC000775503570 623281532 /nfs/dbraw/zinc/28/15/32/623281532.db2.gz JLRCDVMIPQZUAM-KRWDZBQOSA-N 0 3 320.477 3.322 20 10 DGCDHN CC[C@@H](N[C@H](CO)c1ccccc1OC)c1ccccc1O ZINC000775523096 623283918 /nfs/dbraw/zinc/28/39/18/623283918.db2.gz GFSWFPHYXZYEDK-HZPDHXFCSA-N 0 3 301.386 3.175 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1[O-] ZINC000775522172 623284011 /nfs/dbraw/zinc/28/40/11/623284011.db2.gz LDLBOTKTEMNQIL-ZBFHGGJFSA-N 0 3 305.418 3.161 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000775522680 623284166 /nfs/dbraw/zinc/28/41/66/623284166.db2.gz XNLIHDSFQGZFPA-SJORKVTESA-N 0 3 316.445 3.367 20 10 DGCDHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000775580876 623293353 /nfs/dbraw/zinc/29/33/53/623293353.db2.gz MZWOIHPGDKBKAJ-KKUMJFAQSA-N 0 3 320.433 3.218 20 10 DGCDHN COc1ccc(O)c(CN(C)Cc2ccc(OC)c(F)c2)c1 ZINC000775644314 623302174 /nfs/dbraw/zinc/30/21/74/623302174.db2.gz GWCXDCDTYFYSMI-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN COc1ccc(CNCc2c(O)cccc2OC)cc1Cl ZINC000776251582 623401726 /nfs/dbraw/zinc/40/17/26/623401726.db2.gz MSMPVCXQAZFCHR-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN Cc1nn(C)c2ncc(CN[C@H](C)c3ccc(N(C)C)cc3)cc12 ZINC000776942878 623477887 /nfs/dbraw/zinc/47/78/87/623477887.db2.gz XKALWBVVUJYVSZ-CYBMUJFWSA-N 0 3 323.444 3.194 20 10 DGCDHN COc1ccc2oc(CNCc3cc(OC)ccc3O)cc2c1 ZINC000125532683 623479553 /nfs/dbraw/zinc/47/95/53/623479553.db2.gz GWLNNIFXQUEMTN-UHFFFAOYSA-N 0 3 313.353 3.445 20 10 DGCDHN COc1cccc(O)c1CNCc1ccc(OC(C)(C)C)nc1 ZINC000778638213 623679048 /nfs/dbraw/zinc/67/90/48/623679048.db2.gz ADJXDXVGCQVLQK-UHFFFAOYSA-N 0 3 316.401 3.263 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c([O-])c1 ZINC000876790809 623707157 /nfs/dbraw/zinc/70/71/57/623707157.db2.gz YDHTUFIIDWQUGH-GOSISDBHSA-N 0 3 319.445 3.251 20 10 DGCDHN COCC[N@H+](CCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000778995730 623718223 /nfs/dbraw/zinc/71/82/23/623718223.db2.gz CODPXDANDBMCTJ-UHFFFAOYSA-N 0 3 303.377 3.222 20 10 DGCDHN COCC[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000778995730 623718227 /nfs/dbraw/zinc/71/82/27/623718227.db2.gz CODPXDANDBMCTJ-UHFFFAOYSA-N 0 3 303.377 3.222 20 10 DGCDHN CCN1C[C@@H](C[N@H+](C)Cc2ccccc2[O-])Oc2ccccc21 ZINC000778995552 623718681 /nfs/dbraw/zinc/71/86/81/623718681.db2.gz ZFUYRGKVLIHEAG-MRXNPFEDSA-N 0 3 312.413 3.112 20 10 DGCDHN CCN1C[C@@H](C[N@@H+](C)Cc2ccccc2[O-])Oc2ccccc21 ZINC000778995552 623718686 /nfs/dbraw/zinc/71/86/86/623718686.db2.gz ZFUYRGKVLIHEAG-MRXNPFEDSA-N 0 3 312.413 3.112 20 10 DGCDHN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779029614 623722921 /nfs/dbraw/zinc/72/29/21/623722921.db2.gz QNZFEGQRTDAALU-ZDUSSCGKSA-N 0 3 323.408 3.475 20 10 DGCDHN CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779029614 623722925 /nfs/dbraw/zinc/72/29/25/623722925.db2.gz QNZFEGQRTDAALU-ZDUSSCGKSA-N 0 3 323.408 3.475 20 10 DGCDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000779106328 623729900 /nfs/dbraw/zinc/72/99/00/623729900.db2.gz NLQTVVRNXMLRAA-KZULUSFZSA-N 0 3 319.376 3.406 20 10 DGCDHN CNC(=O)C1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCCC1 ZINC000779176099 623738520 /nfs/dbraw/zinc/73/85/20/623738520.db2.gz ZTIUAPSZQQHYPX-UHFFFAOYSA-N 0 3 324.424 3.208 20 10 DGCDHN COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1OC ZINC000877017798 623767467 /nfs/dbraw/zinc/76/74/67/623767467.db2.gz IQPPBQBWBAELSU-AWEZNQCLSA-N 0 3 315.413 3.439 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000877096062 623790729 /nfs/dbraw/zinc/79/07/29/623790729.db2.gz WRHSGBSIXMEXNL-CYBMUJFWSA-N 0 3 317.820 3.118 20 10 DGCDHN COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877173972 623816960 /nfs/dbraw/zinc/81/69/60/623816960.db2.gz NCFKMYYAZWTAAZ-OAHLLOKOSA-N 0 3 305.418 3.112 20 10 DGCDHN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877173972 623816966 /nfs/dbraw/zinc/81/69/66/623816966.db2.gz NCFKMYYAZWTAAZ-OAHLLOKOSA-N 0 3 305.418 3.112 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000877458978 623891731 /nfs/dbraw/zinc/89/17/31/623891731.db2.gz DHRXFDMUEILYNS-ZFWWWQNUSA-N 0 3 317.351 3.274 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000877482058 623904667 /nfs/dbraw/zinc/90/46/67/623904667.db2.gz BLDUNSRZFFUQFF-MRXNPFEDSA-N 0 3 309.768 3.316 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000877503966 623915208 /nfs/dbraw/zinc/91/52/08/623915208.db2.gz YRGBUFDBVPOLHO-HXUWFJFHSA-N 0 3 311.425 3.227 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000877503966 623915210 /nfs/dbraw/zinc/91/52/10/623915210.db2.gz YRGBUFDBVPOLHO-HXUWFJFHSA-N 0 3 311.425 3.227 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC(C(C)(C)O)CC2)c1O ZINC000877753575 624019647 /nfs/dbraw/zinc/01/96/47/624019647.db2.gz GZQSYQVKXAWSED-UHFFFAOYSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[NH+]2CCC(C(C)(C)O)CC2)c1[O-] ZINC000877753575 624019652 /nfs/dbraw/zinc/01/96/52/624019652.db2.gz GZQSYQVKXAWSED-UHFFFAOYSA-N 0 3 313.825 3.037 20 10 DGCDHN CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[O-])[nH]c1C ZINC000877755769 624022350 /nfs/dbraw/zinc/02/23/50/624022350.db2.gz MEGSCCBIAZUHMF-LLVKDONJSA-N 0 3 302.374 3.056 20 10 DGCDHN CC(C)COC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000877757030 624022680 /nfs/dbraw/zinc/02/26/80/624022680.db2.gz AMDOMSIHQGFCFO-AWEZNQCLSA-N 0 3 320.433 3.300 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@@H]1C ZINC000877757053 624023054 /nfs/dbraw/zinc/02/30/54/624023054.db2.gz CZOWFVNGMCHQJQ-BYNSBNAKSA-N 0 3 305.418 3.411 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000877756343 624023215 /nfs/dbraw/zinc/02/32/15/624023215.db2.gz ICFXUIDXHGFIQV-CYBMUJFWSA-N 0 3 310.397 3.135 20 10 DGCDHN CC(=O)Nc1ccc2c(c1)CN(Cc1cccc(C)c1O)CC2 ZINC000877816492 624047768 /nfs/dbraw/zinc/04/77/68/624047768.db2.gz FWDKCOISERTJGQ-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN COc1ccc(O)c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000877827832 624059371 /nfs/dbraw/zinc/05/93/71/624059371.db2.gz UIONOZNFOWQGQD-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000878362560 624256842 /nfs/dbraw/zinc/25/68/42/624256842.db2.gz CWIJEVHNKZCKKV-RDJZCZTQSA-N 0 3 319.445 3.409 20 10 DGCDHN C[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1[O-] ZINC000783508407 624360043 /nfs/dbraw/zinc/36/00/43/624360043.db2.gz KDYJWVNREAKCAZ-OAHLLOKOSA-N 0 3 307.397 3.471 20 10 DGCDHN COc1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])c(OC)c1 ZINC000783508467 624360149 /nfs/dbraw/zinc/36/01/49/624360149.db2.gz KTVRFFIADDDSFE-ZDUSSCGKSA-N 0 3 301.386 3.303 20 10 DGCDHN CCN(CC)c1ccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000784616430 624559214 /nfs/dbraw/zinc/55/92/14/624559214.db2.gz GBHSHINMRIXSJQ-UHFFFAOYSA-N 0 3 324.428 3.405 20 10 DGCDHN C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1ccccc1[O-] ZINC000879648795 624622627 /nfs/dbraw/zinc/62/26/27/624622627.db2.gz DXMOHOLRPKORSM-CQSZACIVSA-N 0 3 310.397 3.022 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCC1CCCCC1 ZINC000879651630 624624367 /nfs/dbraw/zinc/62/43/67/624624367.db2.gz DXALRWGLFGHWFD-KBPBESRZSA-N 0 3 304.434 3.128 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1[O-] ZINC000879653758 624626772 /nfs/dbraw/zinc/62/67/72/624626772.db2.gz WHHKOAACEFWGJB-GJZGRUSLSA-N 0 3 312.413 3.262 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1[O-] ZINC000879653959 624626861 /nfs/dbraw/zinc/62/68/61/624626861.db2.gz ZAFJIQYJEYZTQL-ZMSDIMECSA-N 0 3 316.445 3.224 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@H](C(=O)NC)C(C)C)cc1 ZINC000785588038 624691737 /nfs/dbraw/zinc/69/17/37/624691737.db2.gz AQXURSFSACDEOW-SFHVURJKSA-N 0 3 319.493 3.173 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)CCCOCc1ccccc1 ZINC000798964874 626263987 /nfs/dbraw/zinc/26/39/87/626263987.db2.gz QLEDZLOOMLGKKY-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)CCCOCc1ccccc1 ZINC000798964874 626263990 /nfs/dbraw/zinc/26/39/90/626263990.db2.gz QLEDZLOOMLGKKY-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN C[C@@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)c1ccccc1[O-] ZINC000800503880 626365268 /nfs/dbraw/zinc/36/52/68/626365268.db2.gz ALHLIFQXVHHERF-BFFYNSAMSA-N 0 3 324.424 3.263 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(C)cc1[O-] ZINC000883275970 626633124 /nfs/dbraw/zinc/63/31/24/626633124.db2.gz DFTRZMVMVAGEEB-RDJZCZTQSA-N 0 3 303.402 3.186 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccoc2)c2c1c(F)ccc2[O-] ZINC000883276988 626633906 /nfs/dbraw/zinc/63/39/06/626633906.db2.gz SELNELLLGWSGNY-ZLDLUXBVSA-N 0 3 319.376 3.113 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](SC)C3)c2c1 ZINC000840115458 626768695 /nfs/dbraw/zinc/76/86/95/626768695.db2.gz MBGZELJAKOAVEJ-AWEZNQCLSA-N 0 3 303.427 3.491 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](SC)C3)c2c1 ZINC000840115458 626768698 /nfs/dbraw/zinc/76/86/98/626768698.db2.gz MBGZELJAKOAVEJ-AWEZNQCLSA-N 0 3 303.427 3.491 20 10 DGCDHN Cc1cc(CCNCc2cn(C)cn2)c(C)n1-c1ccccc1 ZINC000808377152 626818901 /nfs/dbraw/zinc/81/89/01/626818901.db2.gz JPJDQUIMTCVTMK-UHFFFAOYSA-N 0 3 308.429 3.160 20 10 DGCDHN CCCC[N@H+](C)C[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000808454960 626826703 /nfs/dbraw/zinc/82/67/03/626826703.db2.gz RSISFGRFHRFYOR-NSHDSACASA-N 0 3 302.821 3.395 20 10 DGCDHN CCCC[N@@H+](C)C[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000808454960 626826706 /nfs/dbraw/zinc/82/67/06/626826706.db2.gz RSISFGRFHRFYOR-NSHDSACASA-N 0 3 302.821 3.395 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOc2cccnc2)c1[O-] ZINC000808696002 626850447 /nfs/dbraw/zinc/85/04/47/626850447.db2.gz MTSVZSLLFRUMMV-GFCCVEGCSA-N 0 3 306.793 3.479 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1[O-] ZINC000808695048 626850524 /nfs/dbraw/zinc/85/05/24/626850524.db2.gz DTJVQXRVVWZUDU-JSGCOSHPSA-N 0 3 313.825 3.200 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCSCC2)c1[O-] ZINC000808695740 626850648 /nfs/dbraw/zinc/85/06/48/626850648.db2.gz PKRYUDQJYDCVEB-LBPRGKRZSA-N 0 3 314.882 3.053 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1[O-] ZINC000808707526 626851660 /nfs/dbraw/zinc/85/16/60/626851660.db2.gz RHGMIQDQNVIJDE-DGCLKSJQSA-N 0 3 310.825 3.014 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000808706792 626851940 /nfs/dbraw/zinc/85/19/40/626851940.db2.gz VANTYJJLFCCCMI-GXFFZTMASA-N 0 3 305.809 3.285 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1[O-] ZINC000808719334 626853832 /nfs/dbraw/zinc/85/38/32/626853832.db2.gz VYRSZQBDOMUZQE-GIPWTMENSA-N 0 3 315.866 3.306 20 10 DGCDHN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)cc(C)c4[O-])[C@H]1[C@H]3C2 ZINC000809698526 626938250 /nfs/dbraw/zinc/93/82/50/626938250.db2.gz ZLHXRWJOPZGNSC-AQYSPBEXSA-N 0 3 307.821 3.209 20 10 DGCDHN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)cc(C)c4[O-])[C@H]1[C@H]3C2 ZINC000809698526 626938252 /nfs/dbraw/zinc/93/82/52/626938252.db2.gz ZLHXRWJOPZGNSC-AQYSPBEXSA-N 0 3 307.821 3.209 20 10 DGCDHN c1cncc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000809728552 626942400 /nfs/dbraw/zinc/94/24/00/626942400.db2.gz BCAMSVWGQIIQTM-FQEVSTJZSA-N 0 3 323.440 3.255 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([O-])c1 ZINC000809758690 626947971 /nfs/dbraw/zinc/94/79/71/626947971.db2.gz TXVYTQMQRBFDGZ-HOTGVXAUSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([O-])c1 ZINC000809758690 626947972 /nfs/dbraw/zinc/94/79/72/626947972.db2.gz TXVYTQMQRBFDGZ-HOTGVXAUSA-N 0 3 319.445 3.430 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758538 626948056 /nfs/dbraw/zinc/94/80/56/626948056.db2.gz PJIYNRGKYJAHJC-LSDHHAIUSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758538 626948057 /nfs/dbraw/zinc/94/80/57/626948057.db2.gz PJIYNRGKYJAHJC-LSDHHAIUSA-N 0 3 305.418 3.039 20 10 DGCDHN C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809767491 626948627 /nfs/dbraw/zinc/94/86/27/626948627.db2.gz MTDJHSJZKAGEMF-RISCZKNCSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809767491 626948630 /nfs/dbraw/zinc/94/86/30/626948630.db2.gz MTDJHSJZKAGEMF-RISCZKNCSA-N 0 3 312.816 3.101 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2COc3c(C)cccc3C2)c([O-])c1 ZINC000810178008 626984906 /nfs/dbraw/zinc/98/49/06/626984906.db2.gz HQDIIMRRSIXDPF-MRXNPFEDSA-N 0 3 313.397 3.193 20 10 DGCDHN COc1ccc(CNCc2cc(C)ccc2O)c(F)c1OC ZINC000886169638 627116663 /nfs/dbraw/zinc/11/66/63/627116663.db2.gz DNKFSVGDMQLCKT-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1cc(F)ccc1[O-] ZINC000886771440 627202969 /nfs/dbraw/zinc/20/29/69/627202969.db2.gz HWRHXCCJGPXAGR-FRTWLMODSA-N 0 3 323.408 3.155 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1ccccc1[O-] ZINC000886771136 627202996 /nfs/dbraw/zinc/20/29/96/627202996.db2.gz CRBNQHLPGZWRBU-QHLBIMPKSA-N 0 3 305.418 3.015 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512616 627285282 /nfs/dbraw/zinc/28/52/82/627285282.db2.gz HEYJKAJGRRSXCB-INIZCTEOSA-N 0 3 324.424 3.038 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512616 627285287 /nfs/dbraw/zinc/28/52/87/627285287.db2.gz HEYJKAJGRRSXCB-INIZCTEOSA-N 0 3 324.424 3.038 20 10 DGCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C1CC1 ZINC000811513843 627286553 /nfs/dbraw/zinc/28/65/53/627286553.db2.gz SGICBWBTWREUBM-SFHVURJKSA-N 0 3 318.436 3.283 20 10 DGCDHN COc1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811792390 627322599 /nfs/dbraw/zinc/32/25/99/627322599.db2.gz OHTLQGPXFNAZAP-SJLPKXTDSA-N 0 3 317.429 3.243 20 10 DGCDHN Oc1cc2c(cc1CN1CC[C@H](n3cc(Cl)cn3)C1)CCC2 ZINC000811802363 627322734 /nfs/dbraw/zinc/32/27/34/627322734.db2.gz XGDVQJYHICFYIF-INIZCTEOSA-N 0 3 317.820 3.178 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000815083370 627624491 /nfs/dbraw/zinc/62/44/91/627624491.db2.gz OIXRALKKSVCWOL-NVXWUHKLSA-N 0 3 303.377 3.176 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C2(C(C)C)CC2)c1[O-] ZINC000815151364 627638066 /nfs/dbraw/zinc/63/80/66/627638066.db2.gz NBBVRUSSQNUWOJ-UHFFFAOYSA-N 0 3 314.223 3.442 20 10 DGCDHN COc1cc(CC[NH2+]Cc2c([O-])cccc2OC)ccc1Cl ZINC000815162191 627639442 /nfs/dbraw/zinc/63/94/42/627639442.db2.gz DQZICFUDMABCSW-UHFFFAOYSA-N 0 3 321.804 3.395 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2nccnc2C)c1[O-] ZINC000815651635 627695156 /nfs/dbraw/zinc/69/51/56/627695156.db2.gz YPQITWGEAPEMLD-NSHDSACASA-N 0 3 305.809 3.346 20 10 DGCDHN COC(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])o1 ZINC000816611388 627814154 /nfs/dbraw/zinc/81/41/54/627814154.db2.gz ORIDPROUSRVZHR-UHFFFAOYSA-N 0 3 311.337 3.215 20 10 DGCDHN CCOc1cccc(CN2CCN(C)Cc3ccccc32)c1O ZINC000816617886 627815188 /nfs/dbraw/zinc/81/51/88/627815188.db2.gz KNWKZAYXWXNNTR-UHFFFAOYSA-N 0 3 312.413 3.243 20 10 DGCDHN CC[C@H]([NH2+]CC1(N)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817964605 627977100 /nfs/dbraw/zinc/97/71/00/627977100.db2.gz FOVBLDOXZXQNCL-LBPRGKRZSA-N 0 3 302.340 3.333 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817965383 627977615 /nfs/dbraw/zinc/97/76/15/627977615.db2.gz PVDCGRABTMDXCS-STQMWFEESA-N 0 3 302.340 3.189 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000817969519 627978907 /nfs/dbraw/zinc/97/89/07/627978907.db2.gz VWDJPONNEHHOJN-DDTOSNHZSA-N 0 3 316.367 3.450 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000926919822 627981390 /nfs/dbraw/zinc/98/13/90/627981390.db2.gz GCACKIPEOJFHFH-ZYHUDNBSSA-N 0 3 320.330 3.209 20 10 DGCDHN CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000817980117 627982265 /nfs/dbraw/zinc/98/22/65/627982265.db2.gz IUUILYBMZUXUKA-YPMHNXCESA-N 0 3 304.768 3.084 20 10 DGCDHN C[C@H]([NH2+]CCCNC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817984114 627983076 /nfs/dbraw/zinc/98/30/76/627983076.db2.gz NIXBMAOBOHQDLB-JTQLQIEISA-N 0 3 302.340 3.204 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1[O-] ZINC000927017070 627998345 /nfs/dbraw/zinc/99/83/45/627998345.db2.gz VQGHJCUBEKIFAK-RDJZCZTQSA-N 0 3 319.445 3.470 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000818227919 628007343 /nfs/dbraw/zinc/00/73/43/628007343.db2.gz NCLBQXXNESBFTD-UHFFFAOYSA-N 0 3 323.433 3.248 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)nn2C)c2c1c(F)ccc2[O-] ZINC000927100734 628014428 /nfs/dbraw/zinc/01/44/28/628014428.db2.gz JBLWBGWAHCOYNO-BONVTDFDSA-N 0 3 315.392 3.480 20 10 DGCDHN Cc1cc(O)c(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822210522 628429855 /nfs/dbraw/zinc/42/98/55/628429855.db2.gz FXJBXHUJTVWJAF-CYBMUJFWSA-N 0 3 323.400 3.040 20 10 DGCDHN CC[C@@](C)(C(=O)OC)N(Cc1cc(C)ccc1O)CC1CC1 ZINC000822503542 628458311 /nfs/dbraw/zinc/45/83/11/628458311.db2.gz IHWYNCNYAVTNSX-SFHVURJKSA-N 0 3 305.418 3.254 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000822504554 628458726 /nfs/dbraw/zinc/45/87/26/628458726.db2.gz VENXCHKLVGLCRJ-PKOBYXMFSA-N 0 3 308.425 3.099 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000822504554 628458727 /nfs/dbraw/zinc/45/87/27/628458727.db2.gz VENXCHKLVGLCRJ-PKOBYXMFSA-N 0 3 308.425 3.099 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CSc2ccccc21 ZINC000824483946 628664413 /nfs/dbraw/zinc/66/44/13/628664413.db2.gz XBQVNOWYKIEBCT-LBPRGKRZSA-N 0 3 301.411 3.380 20 10 DGCDHN C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccc1[O-] ZINC000824593157 628675383 /nfs/dbraw/zinc/67/53/83/628675383.db2.gz LSJWYOSLUGQTPX-GOSISDBHSA-N 0 3 313.397 3.192 20 10 DGCDHN C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccc1[O-] ZINC000824593157 628675385 /nfs/dbraw/zinc/67/53/85/628675385.db2.gz LSJWYOSLUGQTPX-GOSISDBHSA-N 0 3 313.397 3.192 20 10 DGCDHN CC/C=C\C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000824703240 628685851 /nfs/dbraw/zinc/68/58/51/628685851.db2.gz YNANWLXRJPYOAB-PLNGDYQASA-N 0 3 300.196 3.219 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1cnc2n1CCC2)C1CCCC1 ZINC000824778256 628692736 /nfs/dbraw/zinc/69/27/36/628692736.db2.gz RDNGEGKBOBZLMQ-UHFFFAOYSA-N 0 3 311.429 3.480 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1cnc2n1CCC2)C1CCCC1 ZINC000824778256 628692738 /nfs/dbraw/zinc/69/27/38/628692738.db2.gz RDNGEGKBOBZLMQ-UHFFFAOYSA-N 0 3 311.429 3.480 20 10 DGCDHN C[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])N(C)C ZINC000824987824 628714345 /nfs/dbraw/zinc/71/43/45/628714345.db2.gz BOECICNJNOIJNM-HNNXBMFYSA-N 0 3 314.429 3.011 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccccc1[O-] ZINC000825045748 628720497 /nfs/dbraw/zinc/72/04/97/628720497.db2.gz KPLOMUULWROGLE-XUWXXGDYSA-N 0 3 315.417 3.087 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccccc1[O-] ZINC000825045749 628720666 /nfs/dbraw/zinc/72/06/66/628720666.db2.gz KPLOMUULWROGLE-YEWWUXTCSA-N 0 3 315.417 3.087 20 10 DGCDHN CC[C@H](COC)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000825297533 628747340 /nfs/dbraw/zinc/74/73/40/628747340.db2.gz HPTDVZNBVSBMDN-QGZVFWFLSA-N 0 3 315.413 3.486 20 10 DGCDHN CCN(CC)c1ccc(CN(C)CC2=CCCOC2)cc1F ZINC000827185264 628933919 /nfs/dbraw/zinc/93/39/19/628933919.db2.gz QABLGZCHWFRRMO-UHFFFAOYSA-N 0 3 306.425 3.450 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000827377064 628953855 /nfs/dbraw/zinc/95/38/55/628953855.db2.gz OOTWAYUAZDXYFA-PBHICJAKSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000827377064 628953857 /nfs/dbraw/zinc/95/38/57/628953857.db2.gz OOTWAYUAZDXYFA-PBHICJAKSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1[O-] ZINC000827377356 628954550 /nfs/dbraw/zinc/95/45/50/628954550.db2.gz WOOLTCXEBWLCGW-GDBMZVCRSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1[O-] ZINC000827377356 628954552 /nfs/dbraw/zinc/95/45/52/628954552.db2.gz WOOLTCXEBWLCGW-GDBMZVCRSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(CN2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000828013603 629014024 /nfs/dbraw/zinc/01/40/24/629014024.db2.gz FIUGIVFKJNWDLU-UHFFFAOYSA-N 0 3 315.417 3.099 20 10 DGCDHN Cc1cc(CN2CCc3cn[nH]c3C2)ccc1N1CCCCC1 ZINC000828461338 629056493 /nfs/dbraw/zinc/05/64/93/629056493.db2.gz SWVXAJWWQNBACQ-UHFFFAOYSA-N 0 3 310.445 3.267 20 10 DGCDHN CN(C)C(=O)C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834530074 629721436 /nfs/dbraw/zinc/72/14/36/629721436.db2.gz AUOVEOBHADBAIN-IRXDYDNUSA-N 0 3 324.424 3.189 20 10 DGCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1c1ccccc1 ZINC000834585111 629735093 /nfs/dbraw/zinc/73/50/93/629735093.db2.gz GCTHWKKNVCXXMM-SJORKVTESA-N 0 3 322.408 3.165 20 10 DGCDHN Cc1noc(C2CCC([NH2+][C@@H]3CCc4cccc([O-])c43)CC2)n1 ZINC000834676565 629754946 /nfs/dbraw/zinc/75/49/46/629754946.db2.gz WGPBKGNAGMGPLP-YMAMQOFZSA-N 0 3 313.401 3.387 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1COC3(CCCCCC3)O1)CC2 ZINC000834737879 629770205 /nfs/dbraw/zinc/77/02/05/629770205.db2.gz ZPYHLADURJOTOA-HOTGVXAUSA-N 0 3 317.429 3.435 20 10 DGCDHN C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834896284 629800852 /nfs/dbraw/zinc/80/08/52/629800852.db2.gz JOPOFHDGXWCLFF-WDMOLILDSA-N 0 3 303.381 3.034 20 10 DGCDHN C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834896281 629801259 /nfs/dbraw/zinc/80/12/59/629801259.db2.gz JOPOFHDGXWCLFF-GYSYKLTISA-N 0 3 303.381 3.034 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2cccnc2N(C)C)cc1 ZINC000835035143 629830360 /nfs/dbraw/zinc/83/03/60/629830360.db2.gz HMCUKKQADYVLEJ-FNORWQNLSA-N 0 3 310.445 3.017 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000835043812 629833960 /nfs/dbraw/zinc/83/39/60/629833960.db2.gz ZKEATWMGWUGNCX-KPDZFXRVSA-N 0 3 308.425 3.014 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000840879645 630370995 /nfs/dbraw/zinc/37/09/95/630370995.db2.gz FRBMBTHYJPWVFS-YPMHNXCESA-N 0 3 307.340 3.097 20 10 DGCDHN Cc1occc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000840885608 630372186 /nfs/dbraw/zinc/37/21/86/630372186.db2.gz YAFBJJAUJMPWSP-UHFFFAOYSA-N 0 3 314.429 3.087 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000840948255 630382611 /nfs/dbraw/zinc/38/26/11/630382611.db2.gz SEVNFSZYLPQLDU-KRWDZBQOSA-N 0 3 318.852 3.358 20 10 DGCDHN COCC[C@H](C)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000840955523 630384116 /nfs/dbraw/zinc/38/41/16/630384116.db2.gz SFVDGRIVGPTCIS-JTQLQIEISA-N 0 3 316.239 3.225 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840975520 630390460 /nfs/dbraw/zinc/39/04/60/630390460.db2.gz HVKJNHVMIAQCPU-HNNXBMFYSA-N 0 3 313.445 3.191 20 10 DGCDHN Nc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000841302326 630425471 /nfs/dbraw/zinc/42/54/71/630425471.db2.gz SXSKOFRKZAERPM-SFHVURJKSA-N 0 3 324.428 3.227 20 10 DGCDHN CCOc1cccc(CN[C@@H](CCO)c2ccccc2F)c1O ZINC000842762096 630573047 /nfs/dbraw/zinc/57/30/47/630573047.db2.gz ATIFEWZBJPDIJB-INIZCTEOSA-N 0 3 319.376 3.143 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc(F)ccc1[O-] ZINC000842916961 630593253 /nfs/dbraw/zinc/59/32/53/630593253.db2.gz MGEICGKTIUYIFJ-CDHAZOANSA-N 0 3 316.376 3.497 20 10 DGCDHN C[C@@H](N[C@@H](CCO)c1ccccc1F)c1cc(F)ccc1O ZINC000842922351 630593558 /nfs/dbraw/zinc/59/35/58/630593558.db2.gz BNFVLKKGPBWXOO-BZNIZROVSA-N 0 3 307.340 3.445 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN(C)CC[C@@H]([NH3+])C(C)C)c1[O-] ZINC000843354402 630648678 /nfs/dbraw/zinc/64/86/78/630648678.db2.gz DUDUXYOKUIIOAE-OAHLLOKOSA-N 0 3 312.841 3.053 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000843414537 630653656 /nfs/dbraw/zinc/65/36/56/630653656.db2.gz HXFCHFJBMMHOAT-UKRRQHHQSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000843414537 630653658 /nfs/dbraw/zinc/65/36/58/630653658.db2.gz HXFCHFJBMMHOAT-UKRRQHHQSA-N 0 3 305.418 3.192 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1[O-] ZINC000843429094 630657614 /nfs/dbraw/zinc/65/76/14/630657614.db2.gz UIPUQTHGPWFSFA-BETUJISGSA-N 0 3 313.825 3.490 20 10 DGCDHN CC[C@H](N)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843483433 630662135 /nfs/dbraw/zinc/66/21/35/630662135.db2.gz CSTVSIPDWZCKAJ-PBHICJAKSA-N 0 3 312.413 3.219 20 10 DGCDHN C[C@@H](NCc1ccc(C[NH3+])cc1F)c1cc(F)cc(F)c1[O-] ZINC000844925841 630988078 /nfs/dbraw/zinc/98/80/78/630988078.db2.gz VPXQLCADGKEAHC-SECBINFHSA-N 0 3 310.319 3.119 20 10 DGCDHN CCN1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000846092927 631209218 /nfs/dbraw/zinc/20/92/18/631209218.db2.gz KOICKMPFKJEHQQ-HNNXBMFYSA-N 0 3 324.424 3.017 20 10 DGCDHN CCc1noc(CC)c1CN[C@@H](C)c1cccc(OC)c1O ZINC000846151326 631212307 /nfs/dbraw/zinc/21/23/07/631212307.db2.gz WEHILGKLNBYAAX-NSHDSACASA-N 0 3 304.390 3.364 20 10 DGCDHN COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000848573588 631698984 /nfs/dbraw/zinc/69/89/84/631698984.db2.gz WCEZKFWRQUGJNR-CQSZACIVSA-N 0 3 313.397 3.267 20 10 DGCDHN CC1CCN(c2ccc(CNCc3cnc4n3CCC4)cc2)CC1 ZINC000850130103 632062683 /nfs/dbraw/zinc/06/26/83/632062683.db2.gz ZOPQQDWXKJIKOO-UHFFFAOYSA-N 0 3 324.472 3.355 20 10 DGCDHN COc1cc(CN[C@H](C)c2cn[nH]c2)c(O)c(C(C)(C)C)c1 ZINC000850226601 632086399 /nfs/dbraw/zinc/08/63/99/632086399.db2.gz QVJHUHNBXSRGRX-LLVKDONJSA-N 0 3 303.406 3.272 20 10 DGCDHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)c(C)o1 ZINC000850405856 632142516 /nfs/dbraw/zinc/14/25/16/632142516.db2.gz HXUDPKNUPTXSEV-UHFFFAOYSA-N 0 3 314.429 3.147 20 10 DGCDHN CON(C)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000850479461 632165238 /nfs/dbraw/zinc/16/52/38/632165238.db2.gz ULPOWKJPYZGEJZ-SFHVURJKSA-N 0 3 314.429 3.149 20 10 DGCDHN COC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(OC)c1 ZINC000850515180 632176559 /nfs/dbraw/zinc/17/65/59/632176559.db2.gz UBCCMHJETZWKAD-SUMWQHHRSA-N 0 3 301.386 3.439 20 10 DGCDHN C[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1[O-] ZINC000850536646 632185643 /nfs/dbraw/zinc/18/56/43/632185643.db2.gz IPGLNOJVUOKXQZ-IINYFYTJSA-N 0 3 305.324 3.325 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000850559230 632193834 /nfs/dbraw/zinc/19/38/34/632193834.db2.gz YFNNXGSRUWZDKS-HUUCEWRRSA-N 0 3 318.461 3.307 20 10 DGCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CNC(=O)C1 ZINC000851879876 632513153 /nfs/dbraw/zinc/51/31/53/632513153.db2.gz QDBAUNMQBUSBRV-CVEARBPZSA-N 0 3 324.424 3.092 20 10 DGCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CNC(=O)C1 ZINC000851879876 632513161 /nfs/dbraw/zinc/51/31/61/632513161.db2.gz QDBAUNMQBUSBRV-CVEARBPZSA-N 0 3 324.424 3.092 20 10 DGCDHN C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000184923963 660195500 /nfs/dbraw/zinc/19/55/00/660195500.db2.gz ZHRXXEQQQVAPLV-CQSZACIVSA-N 0 3 314.404 3.240 20 10 DGCDHN COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C2 ZINC000185334953 660215732 /nfs/dbraw/zinc/21/57/32/660215732.db2.gz LRPKKCKUJSHTPG-RISCZKNCSA-N 0 3 317.360 3.194 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000174007955 659410026 /nfs/dbraw/zinc/41/00/26/659410026.db2.gz SEXPYJUXNPIKLN-JKSUJKDBSA-N 0 3 311.429 3.330 20 10 DGCDHN COCCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183019320 660099444 /nfs/dbraw/zinc/09/94/44/660099444.db2.gz UNBCMQUSUTWSNS-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN COCCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183019320 660099448 /nfs/dbraw/zinc/09/94/48/660099448.db2.gz UNBCMQUSUTWSNS-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000186095046 660266153 /nfs/dbraw/zinc/26/61/53/660266153.db2.gz QYQJSNFNMIVIEY-LRTDBIEQSA-N 0 3 303.427 3.289 20 10 DGCDHN CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000701874552 660689616 /nfs/dbraw/zinc/68/96/16/660689616.db2.gz ATTZXXRONQSAHO-KRWDZBQOSA-N 0 3 324.396 3.020 20 10 DGCDHN CCC[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OCC ZINC000705354925 660837393 /nfs/dbraw/zinc/83/73/93/660837393.db2.gz YVKBHLOLYLVFCD-ZDUSSCGKSA-N 0 3 301.814 3.349 20 10 DGCDHN COc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000793232573 661015614 /nfs/dbraw/zinc/01/56/14/661015614.db2.gz YUPALNDFGJAHJW-KOLCDFICSA-N 0 3 319.323 3.182 20 10 DGCDHN COc1ccc(C[NH2+]C/C=C/c2ccc(F)cc2F)c([O-])c1 ZINC000793387189 661029204 /nfs/dbraw/zinc/02/92/04/661029204.db2.gz AMLAFUMRDQVAHC-NSCUHMNNSA-N 0 3 305.324 3.482 20 10 DGCDHN C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@@H](C2CC2)O1 ZINC000794661321 661096704 /nfs/dbraw/zinc/09/67/04/661096704.db2.gz ZCRXWSVQQYBNAG-YJYMSZOUSA-N 0 3 301.430 3.270 20 10 DGCDHN CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000794789922 661105214 /nfs/dbraw/zinc/10/52/14/661105214.db2.gz BAIYDMKMMUSVFF-NUJGCVRESA-N 0 3 320.477 3.241 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1[O-] ZINC000794791927 661105274 /nfs/dbraw/zinc/10/52/74/661105274.db2.gz CQBMMUKKBFGFRA-FUHWJXTLSA-N 0 3 320.477 3.098 20 10 DGCDHN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(N2CCCC2)cc1 ZINC000794797884 661105697 /nfs/dbraw/zinc/10/56/97/661105697.db2.gz QUPZEFOCRINMGT-GOSISDBHSA-N 0 3 310.445 3.188 20 10 DGCDHN CC[C@H](N[C@@H](CO)c1ccccc1OC)c1ccc(C)cc1O ZINC000794812507 661106626 /nfs/dbraw/zinc/10/66/26/661106626.db2.gz WSDYQUULWQFEKZ-IRXDYDNUSA-N 0 3 315.413 3.484 20 10 DGCDHN CC[C@H]([NH2+]CCCNc1ncccn1)c1ccc(C)cc1[O-] ZINC000794810623 661106637 /nfs/dbraw/zinc/10/66/37/661106637.db2.gz MIQNUYYHLQYRFE-HNNXBMFYSA-N 0 3 300.406 3.034 20 10 DGCDHN CC[C@H](N[C@H](CO)c1ccccc1OC)c1ccc(C)cc1O ZINC000794812430 661106687 /nfs/dbraw/zinc/10/66/87/661106687.db2.gz WSDYQUULWQFEKZ-DLBZAZTESA-N 0 3 315.413 3.484 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(C)cc1[O-] ZINC000794815885 661106848 /nfs/dbraw/zinc/10/68/48/661106848.db2.gz IJWYAIYUTNYYEB-GOSISDBHSA-N 0 3 324.424 3.227 20 10 DGCDHN CC[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794818592 661107011 /nfs/dbraw/zinc/10/70/11/661107011.db2.gz VRGOKIYMONDCNP-AEFFLSMTSA-N 0 3 317.404 3.484 20 10 DGCDHN Cc1cn2c(CNCc3ccc(N(C)C)cc3)c(C)nc2s1 ZINC000078778219 655608894 /nfs/dbraw/zinc/60/88/94/655608894.db2.gz LKNRLNGKOAROEM-UHFFFAOYSA-N 0 3 314.458 3.368 20 10 DGCDHN COc1ccc(O)c(CNCc2ccccc2Br)c1 ZINC000048819841 655777911 /nfs/dbraw/zinc/77/79/11/655777911.db2.gz GVFHYBMDVDRONM-UHFFFAOYSA-N 0 3 322.202 3.453 20 10 DGCDHN Cc1ncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000123412750 656179252 /nfs/dbraw/zinc/17/92/52/656179252.db2.gz UKVKCLAARCQWNN-ZDUSSCGKSA-N 0 3 317.458 3.139 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCOCC2CCCC2)c1[O-] ZINC000313256962 656266013 /nfs/dbraw/zinc/26/60/13/656266013.db2.gz UJYLXUIYJIHFMN-UHFFFAOYSA-N 0 3 313.825 3.351 20 10 DGCDHN CCOC[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC000313461561 656281355 /nfs/dbraw/zinc/28/13/55/656281355.db2.gz OOUDYYFKFZXXTP-AWEZNQCLSA-N 0 3 313.825 3.445 20 10 DGCDHN CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000313461561 656281356 /nfs/dbraw/zinc/28/13/56/656281356.db2.gz OOUDYYFKFZXXTP-AWEZNQCLSA-N 0 3 313.825 3.445 20 10 DGCDHN CCOC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000313461561 656281358 /nfs/dbraw/zinc/28/13/58/656281358.db2.gz OOUDYYFKFZXXTP-AWEZNQCLSA-N 0 3 313.825 3.445 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000155815089 658850198 /nfs/dbraw/zinc/85/01/98/658850198.db2.gz AMGJHNVOFOXYQL-HIFRSBDPSA-N 0 3 320.433 3.442 20 10 DGCDHN CN(C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000179584578 659934170 /nfs/dbraw/zinc/93/41/70/659934170.db2.gz ZQNANYGIWHHQCH-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN CN(C[C@H]1CCC[N@H+]1Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000179584578 659934172 /nfs/dbraw/zinc/93/41/72/659934172.db2.gz ZQNANYGIWHHQCH-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN Cc1cccc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000179672676 659936927 /nfs/dbraw/zinc/93/69/27/659936927.db2.gz SMBISOHDYMEWCB-UHFFFAOYSA-N 0 3 320.433 3.143 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000179770146 659941155 /nfs/dbraw/zinc/94/11/55/659941155.db2.gz WYXZVWMWWMYTOO-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000179770146 659941157 /nfs/dbraw/zinc/94/11/57/659941157.db2.gz WYXZVWMWWMYTOO-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1[O-] ZINC000179900680 659945161 /nfs/dbraw/zinc/94/51/61/659945161.db2.gz OPQCLWPGUVMXGQ-VIFPVBQESA-N 0 3 324.302 3.099 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000180153377 659953206 /nfs/dbraw/zinc/95/32/06/659953206.db2.gz XLXCDPGXZLUBEH-GOSISDBHSA-N 0 3 315.388 3.403 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000180153377 659953207 /nfs/dbraw/zinc/95/32/07/659953207.db2.gz XLXCDPGXZLUBEH-GOSISDBHSA-N 0 3 315.388 3.403 20 10 DGCDHN Cc1n[nH]cc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000180158134 659953277 /nfs/dbraw/zinc/95/32/77/659953277.db2.gz PTWJIRRUDHMELZ-ZDUSSCGKSA-N 0 3 316.474 3.122 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000180910060 659973647 /nfs/dbraw/zinc/97/36/47/659973647.db2.gz MKLQASNYCCLRAN-HNNXBMFYSA-N 0 3 309.381 3.087 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183511340 660121125 /nfs/dbraw/zinc/12/11/25/660121125.db2.gz ZTTMKZAPVBBZKB-QWHCGFSZSA-N 0 3 306.406 3.052 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)c1ccccc1[O-] ZINC000155623521 661849854 /nfs/dbraw/zinc/84/98/54/661849854.db2.gz QLXNUTQRWNHGIR-HOCLYGCPSA-N 0 3 313.397 3.445 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccc1F ZINC000075829152 661951108 /nfs/dbraw/zinc/95/11/08/661951108.db2.gz SWNGDNBYOJXVDO-GOSISDBHSA-N 0 3 303.377 3.477 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccc1F ZINC000075829152 661951111 /nfs/dbraw/zinc/95/11/11/661951111.db2.gz SWNGDNBYOJXVDO-GOSISDBHSA-N 0 3 303.377 3.477 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000192680175 662108013 /nfs/dbraw/zinc/10/80/13/662108013.db2.gz HDAINPULHMFXTC-OLZOCXBDSA-N 0 3 308.422 3.264 20 10 DGCDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000389854502 685197076 /nfs/dbraw/zinc/19/70/76/685197076.db2.gz YNSWJNCBMVAJPH-LZQZEXGQSA-N 0 3 322.452 3.490 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000397858619 685233039 /nfs/dbraw/zinc/23/30/39/685233039.db2.gz XMMUJHJGPAJLGS-LSDHHAIUSA-N 0 3 320.433 3.174 20 10 DGCDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000398187760 685235029 /nfs/dbraw/zinc/23/50/29/685235029.db2.gz YPNLTPUOXPBHOJ-KDOFPFPSSA-N 0 3 324.428 3.053 20 10 DGCDHN CCc1ccccc1[C@@H](N)C[NH2+]Cc1c([O-])cccc1Cl ZINC001578275383 1191936457 /nfs/dbraw/zinc/93/64/57/1191936457.db2.gz KSDADQDLYYZCDM-INIZCTEOSA-N 0 3 304.821 3.398 20 10 DGCDHN Nc1ccc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC001580445474 1192027014 /nfs/dbraw/zinc/02/70/14/1192027014.db2.gz FXQAVIWCTJMMBF-HNNXBMFYSA-N 0 3 310.319 3.111 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@]2(C)CCCC[C@H]2O)cc1F ZINC001331273135 1178171070 /nfs/dbraw/zinc/17/10/70/1178171070.db2.gz VQRDPKLDDPQBNF-SJORKVTESA-N 0 3 312.404 3.062 20 10 DGCDHN O[C@H]1C[C@](NCc2ccc(N3CCCC3)cc2)(c2ccccc2)C1 ZINC001333133891 1178561432 /nfs/dbraw/zinc/56/14/32/1178561432.db2.gz NIWDJNDCSWWULN-OYRHEFFESA-N 0 3 322.452 3.427 20 10 DGCDHN CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001462483177 1182959832 /nfs/dbraw/zinc/95/98/32/1182959832.db2.gz RELXVTTXCCTBMO-QGZVFWFLSA-N 0 3 300.377 3.242 20 10 DGCDHN CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001462483177 1182959835 /nfs/dbraw/zinc/95/98/35/1182959835.db2.gz RELXVTTXCCTBMO-QGZVFWFLSA-N 0 3 300.377 3.242 20 10 DGCDHN C[C@@H]1CC[C@](CO)([NH2+]Cc2cc(F)ccc2[O-])c2ccccc21 ZINC001474757745 1183973988 /nfs/dbraw/zinc/97/39/88/1183973988.db2.gz ZGEULSRFLJPTMP-BFUOFWGJSA-N 0 3 315.388 3.406 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)CC(C)(C)C ZINC001542371046 1188283073 /nfs/dbraw/zinc/28/30/73/1188283073.db2.gz OYJXFFVQXNNSMB-UHFFFAOYSA-N 0 3 319.493 3.079 20 10 DGCDHN CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)N(C)C ZINC001557887151 1189091124 /nfs/dbraw/zinc/09/11/24/1189091124.db2.gz DVIYNKBBQAUHNK-GOSISDBHSA-N 0 3 313.445 3.051 20 10 DGCDHN COCCN(Cc1cc(F)c(N(C)C)cc1F)C1CCCC1 ZINC001560630427 1189352868 /nfs/dbraw/zinc/35/28/68/1189352868.db2.gz WGSNHBDFDOVBMR-UHFFFAOYSA-N 0 3 312.404 3.422 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H](C)c2nc(C)cs2)c([O-])c1 ZINC001560737437 1189370782 /nfs/dbraw/zinc/37/07/82/1189370782.db2.gz AZYUETYUXISCAT-NSHDSACASA-N 0 3 306.431 3.367 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC001560749248 1189373917 /nfs/dbraw/zinc/37/39/17/1189373917.db2.gz DHFXHZRXYPNANJ-HIFRSBDPSA-N 0 3 306.425 3.274 20 10 DGCDHN CC[C@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001621135150 1193807164 /nfs/dbraw/zinc/80/71/64/1193807164.db2.gz GJUGWQAGYRUXEO-LBPRGKRZSA-N 0 3 318.392 3.336 20 10 DGCDHN CCCCNC(=O)C1([NH2+]Cc2ccc(C)cc2[O-])CCCCC1 ZINC001621264949 1193824560 /nfs/dbraw/zinc/82/45/60/1193824560.db2.gz YBDJMVNLYBQRQN-UHFFFAOYSA-N 0 3 318.461 3.409 20 10 DGCDHN CCOC(=O)[C@@H](C)C1CN(Cc2cc(C(C)C)ccc2O)C1 ZINC001621513028 1193851829 /nfs/dbraw/zinc/85/18/29/1193851829.db2.gz BAIIBSGXZIELNZ-ZDUSSCGKSA-N 0 3 305.418 3.147 20 10 DGCDHN CCN(CC)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001648611982 1195314102 /nfs/dbraw/zinc/31/41/02/1195314102.db2.gz SGRNGOMFWLKSPG-UHFFFAOYSA-N 0 3 313.445 3.052 20 10 DGCDHN CCOC(=O)N1CCCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001651929655 1195525630 /nfs/dbraw/zinc/52/56/30/1195525630.db2.gz RBHVVVDHHLDRGR-UHFFFAOYSA-N 0 3 320.433 3.180 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cnc3ccccc3n2)c1 ZINC001652404446 1195593478 /nfs/dbraw/zinc/59/34/78/1195593478.db2.gz PKOUZGBGNGUJQF-LBPRGKRZSA-N 0 3 309.369 3.195 20 10 DGCDHN COc1cc(C)cc(CN2CCOCC23CCCCC3)c1O ZINC001652471445 1195602561 /nfs/dbraw/zinc/60/25/61/1195602561.db2.gz FQOCCSPYJNVKPA-UHFFFAOYSA-N 0 3 305.418 3.244 20 10 DGCDHN CCN(C)c1ccc(CN2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC001655206085 1195890268 /nfs/dbraw/zinc/89/02/68/1195890268.db2.gz OTBJHNHMKYTQBE-UHFFFAOYSA-N 0 3 312.461 3.450 20 10 DGCDHN CCN(C)c1ccc(CN2CCC[C@H]2C(=O)NC(C)(C)C)cc1 ZINC001655658428 1195946161 /nfs/dbraw/zinc/94/61/61/1195946161.db2.gz CNAZMVMSDPQFTN-KRWDZBQOSA-N 0 3 317.477 3.022 20 10 DGCDHN O[C@H]1Cc2ccccc2[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001656198690 1196016732 /nfs/dbraw/zinc/01/67/32/1196016732.db2.gz ANAWNHHENSVCBN-VQTJNVASSA-N 0 3 308.425 3.035 20 10 DGCDHN CC[C@H](COCC1CC1)NCc1cc(F)c(N(C)C)cc1F ZINC001656618344 1196055620 /nfs/dbraw/zinc/05/56/20/1196055620.db2.gz XADAYLKTUQAYRH-CQSZACIVSA-N 0 3 312.404 3.326 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2CCC3(CCC3)O2)cc1F ZINC001656844370 1196075195 /nfs/dbraw/zinc/07/51/95/1196075195.db2.gz DGZWRDFGRZGYSP-CYBMUJFWSA-N 0 3 310.388 3.222 20 10 DGCDHN CN(C)c1ccc(/C=C\CN(C)CCC(=O)OC(C)(C)C)cc1 ZINC001657220904 1196119576 /nfs/dbraw/zinc/11/95/76/1196119576.db2.gz PQTILBDWPDFYBM-FPLPWBNLSA-N 0 3 318.461 3.429 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001657230455 1196120748 /nfs/dbraw/zinc/12/07/48/1196120748.db2.gz ZZDBQLOLUXCZOS-SJCJKPOMSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001657230455 1196120750 /nfs/dbraw/zinc/12/07/50/1196120750.db2.gz ZZDBQLOLUXCZOS-SJCJKPOMSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC001657228494 1196120914 /nfs/dbraw/zinc/12/09/14/1196120914.db2.gz AKKNGVHGXDRTMM-CXAGYDPISA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC001657228494 1196120920 /nfs/dbraw/zinc/12/09/20/1196120920.db2.gz AKKNGVHGXDRTMM-CXAGYDPISA-N 0 3 320.864 3.494 20 10 DGCDHN C[Si](C)(C)c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC001657469270 1196146077 /nfs/dbraw/zinc/14/60/77/1196146077.db2.gz CSBGQEFMZFGGIL-UHFFFAOYSA-N 0 3 311.501 3.457 20 10 DGCDHN CN1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC001658777797 1196299352 /nfs/dbraw/zinc/29/93/52/1196299352.db2.gz IZBMUWBGERSACK-WFBYXXMGSA-N 0 3 315.244 3.129 20 10 DGCDHN COC(=O)CCC1([NH2+]Cc2ccc(C)cc2[O-])CCCCC1 ZINC001658967191 1196325567 /nfs/dbraw/zinc/32/55/67/1196325567.db2.gz WLROMEFKDBXAOI-UHFFFAOYSA-N 0 3 305.418 3.446 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC001660570911 1196498127 /nfs/dbraw/zinc/49/81/27/1196498127.db2.gz SITTUGYXQQKOFQ-QGZVFWFLSA-N 0 3 311.360 3.259 20 10 DGCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1 ZINC001661396927 1196602147 /nfs/dbraw/zinc/60/21/47/1196602147.db2.gz KTLZJWWNCVAWKX-INIZCTEOSA-N 0 3 323.440 3.404 20 10 DGCDHN COc1ccc(C[NH2+]CCCc2ccc(F)c(F)c2)c([O-])c1 ZINC001664450159 1197000254 /nfs/dbraw/zinc/00/02/54/1197000254.db2.gz BCSGSHBMLVCPCY-UHFFFAOYSA-N 0 3 307.340 3.401 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001665312956 1197121331 /nfs/dbraw/zinc/12/13/31/1197121331.db2.gz SFXORUWOONJQQG-CYBMUJFWSA-N 0 3 308.422 3.046 20 10 DGCDHN CCC[C@@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001716677538 1203523228 /nfs/dbraw/zinc/52/32/28/1203523228.db2.gz BEYMEXDJYWXDOI-CQSZACIVSA-N 0 3 318.461 3.178 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCOC2)c1[O-] ZINC000401590407 1091528823 /nfs/dbraw/zinc/52/88/23/1091528823.db2.gz WKZLWYSNJCYXLC-CYBMUJFWSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCOC2)c1[O-] ZINC000401590407 1091528828 /nfs/dbraw/zinc/52/88/28/1091528828.db2.gz WKZLWYSNJCYXLC-CYBMUJFWSA-N 0 3 314.223 3.074 20 10 DGCDHN CC1(C)CC([N@@H+]2CCc3cccc([O-])c3C2)CC(C)(C)N1O ZINC001170004739 1081841247 /nfs/dbraw/zinc/84/12/47/1081841247.db2.gz LKSNBLREEGLCRA-UHFFFAOYSA-N 0 3 304.434 3.161 20 10 DGCDHN CC1(C)CC([N@H+]2CCc3cccc([O-])c3C2)CC(C)(C)N1O ZINC001170004739 1081841253 /nfs/dbraw/zinc/84/12/53/1081841253.db2.gz LKSNBLREEGLCRA-UHFFFAOYSA-N 0 3 304.434 3.161 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c([O-])c1 ZINC001181089984 1083401542 /nfs/dbraw/zinc/40/15/42/1083401542.db2.gz WSTGTLXILSALDG-OAHLLOKOSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c([O-])c1 ZINC001181089984 1083401549 /nfs/dbraw/zinc/40/15/49/1083401549.db2.gz WSTGTLXILSALDG-OAHLLOKOSA-N 0 3 305.418 3.100 20 10 DGCDHN FC1(F)CO[C@]2(CCN(Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204328127 1083659971 /nfs/dbraw/zinc/65/99/71/1083659971.db2.gz CIQIPISZJNOGAL-QGZVFWFLSA-N 0 3 322.399 3.287 20 10 DGCDHN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000697891558 1087373370 /nfs/dbraw/zinc/37/33/70/1087373370.db2.gz ZAIHLIVYAPNTIU-OLZOCXBDSA-N 0 3 308.422 3.204 20 10 DGCDHN CCCc1noc([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203558660 1090616186 /nfs/dbraw/zinc/61/61/86/1090616186.db2.gz SXDIBKJYAFKFGT-AWEZNQCLSA-N 0 3 301.390 3.107 20 10 DGCDHN CCCc1noc([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203558660 1090616189 /nfs/dbraw/zinc/61/61/89/1090616189.db2.gz SXDIBKJYAFKFGT-AWEZNQCLSA-N 0 3 301.390 3.107 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001203556598 1090755409 /nfs/dbraw/zinc/75/54/09/1090755409.db2.gz VENXCHKLVGLCRJ-HKUYNNGSSA-N 0 3 308.425 3.099 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001203556598 1090755414 /nfs/dbraw/zinc/75/54/14/1090755414.db2.gz VENXCHKLVGLCRJ-HKUYNNGSSA-N 0 3 308.425 3.099 20 10 DGCDHN COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccccc1[O-] ZINC001203558714 1090755555 /nfs/dbraw/zinc/75/55/55/1090755555.db2.gz XNCKIOHUVODQFB-OAHLLOKOSA-N 0 3 315.413 3.438 20 10 DGCDHN COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccccc1[O-] ZINC001203558714 1090755561 /nfs/dbraw/zinc/75/55/61/1090755561.db2.gz XNCKIOHUVODQFB-OAHLLOKOSA-N 0 3 315.413 3.438 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001203558306 1090755578 /nfs/dbraw/zinc/75/55/78/1090755578.db2.gz CNPKKYWGIGAWDE-GASCZTMLSA-N 0 3 317.392 3.422 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001203558306 1090755581 /nfs/dbraw/zinc/75/55/81/1090755581.db2.gz CNPKKYWGIGAWDE-GASCZTMLSA-N 0 3 317.392 3.422 20 10 DGCDHN C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1[O-] ZINC001203561719 1090756933 /nfs/dbraw/zinc/75/69/33/1090756933.db2.gz YJHKDAJWZBXCOC-HIFRSBDPSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccccc1[O-] ZINC001203561719 1090756936 /nfs/dbraw/zinc/75/69/36/1090756936.db2.gz YJHKDAJWZBXCOC-HIFRSBDPSA-N 0 3 320.433 3.270 20 10 DGCDHN COc1ccc(CN2CCOC[C@@H]2C2CCCCC2)c(O)c1 ZINC001203634532 1090770221 /nfs/dbraw/zinc/77/02/21/1090770221.db2.gz KOSSUPUWHMYWKA-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c([O-])c1 ZINC001203634532 1090770222 /nfs/dbraw/zinc/77/02/22/1090770222.db2.gz KOSSUPUWHMYWKA-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1ccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)c([O-])c1 ZINC001203634532 1090770224 /nfs/dbraw/zinc/77/02/24/1090770224.db2.gz KOSSUPUWHMYWKA-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(N(C)C)cc1 ZINC001203934302 1090842625 /nfs/dbraw/zinc/84/26/25/1090842625.db2.gz PIRQPFRFPQKXJJ-SFHVURJKSA-N 0 3 323.484 3.459 20 10 DGCDHN Cc1cccnc1O[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203935438 1090842889 /nfs/dbraw/zinc/84/28/89/1090842889.db2.gz HJXRHXMDAKSIQZ-SFHVURJKSA-N 0 3 311.429 3.109 20 10 DGCDHN Cc1cccnc1O[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203935434 1090843044 /nfs/dbraw/zinc/84/30/44/1090843044.db2.gz HJXRHXMDAKSIQZ-GOSISDBHSA-N 0 3 311.429 3.109 20 10 DGCDHN CCN(CC)c1ccc(CN2C[C@@H]3COC[C@H](C2)C3(F)F)cc1 ZINC001203942441 1090845534 /nfs/dbraw/zinc/84/55/34/1090845534.db2.gz QPGZREWXUCDAAD-IYBDPMFKSA-N 0 3 324.415 3.246 20 10 DGCDHN COc1cccc([C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204277630 1090938281 /nfs/dbraw/zinc/93/82/81/1090938281.db2.gz HIPWGBXKEZSMQM-HNNXBMFYSA-N 0 3 313.397 3.486 20 10 DGCDHN COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204277630 1090938284 /nfs/dbraw/zinc/93/82/84/1090938284.db2.gz HIPWGBXKEZSMQM-HNNXBMFYSA-N 0 3 313.397 3.486 20 10 DGCDHN Cc1cccc(OC2CC[NH+](Cc3ccc(O)cc3[O-])CC2)c1 ZINC001204280635 1090938924 /nfs/dbraw/zinc/93/89/24/1090938924.db2.gz LRKVQDOUJMEGNY-UHFFFAOYSA-N 0 3 313.397 3.450 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001204279004 1090939374 /nfs/dbraw/zinc/93/93/74/1090939374.db2.gz NQVRLDDATCZGEW-SFHVURJKSA-N 0 3 313.397 3.279 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001204279004 1090939376 /nfs/dbraw/zinc/93/93/76/1090939376.db2.gz NQVRLDDATCZGEW-SFHVURJKSA-N 0 3 313.397 3.279 20 10 DGCDHN COc1cc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)cc(O)c1O ZINC001204349466 1090953820 /nfs/dbraw/zinc/95/38/20/1090953820.db2.gz TWWMVQOGZDYGLA-OKILXGFUSA-N 0 3 311.381 3.193 20 10 DGCDHN Cc1c(CN2CCC3(C[C@H]3CCO)CC2)c2ccccc2n1C ZINC001138253040 1091127036 /nfs/dbraw/zinc/12/70/36/1091127036.db2.gz ZRNLVWAGJILIGS-MRXNPFEDSA-N 0 3 312.457 3.471 20 10 DGCDHN C[C@@H]1C[C@H](F)CN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338346 1091147085 /nfs/dbraw/zinc/14/70/85/1091147085.db2.gz OXCPNINUAJOJAR-DOMZBBRYSA-N 0 3 304.409 3.023 20 10 DGCDHN CCN(CC)c1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c(OC)c1 ZINC001138390324 1091164904 /nfs/dbraw/zinc/16/49/04/1091164904.db2.gz RIALGOIWAJURNT-IYBDPMFKSA-N 0 3 319.493 3.066 20 10 DGCDHN C[C@]1([NH3+])CCCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205287912 1091165783 /nfs/dbraw/zinc/16/57/83/1091165783.db2.gz DAEMFOWVXDYGLY-AWEZNQCLSA-N 0 3 303.233 3.402 20 10 DGCDHN C[C@@]1([NH3+])CCCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001205289393 1091167902 /nfs/dbraw/zinc/16/79/02/1091167902.db2.gz XOMKIRDRVNXIHN-CQSZACIVSA-N 0 3 302.340 3.114 20 10 DGCDHN C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC001205317340 1091181630 /nfs/dbraw/zinc/18/16/30/1091181630.db2.gz OCKDREFKXYTYBG-VHSXEESVSA-N 0 3 303.233 3.116 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC001205699811 1091317162 /nfs/dbraw/zinc/31/71/62/1091317162.db2.gz KZXZIJXJODJVQH-HZPDHXFCSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC001205699811 1091317173 /nfs/dbraw/zinc/31/71/73/1091317173.db2.gz KZXZIJXJODJVQH-HZPDHXFCSA-N 0 3 319.445 3.348 20 10 DGCDHN C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001205912750 1091407605 /nfs/dbraw/zinc/40/76/05/1091407605.db2.gz BYDKIBXPMFETHV-ZJUUUORDSA-N 0 3 303.233 3.258 20 10 DGCDHN Oc1cccc2c1CN(Cc1cnc(-c3ccccc3)[nH]1)CC2 ZINC001139556512 1091599650 /nfs/dbraw/zinc/59/96/50/1091599650.db2.gz IGYKJWCVHZCYEY-UHFFFAOYSA-N 0 3 305.381 3.341 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1Cl ZINC001206456744 1091638531 /nfs/dbraw/zinc/63/85/31/1091638531.db2.gz PFCBBAQRGDYKKK-NWDGAFQWSA-N 0 3 314.832 3.214 20 10 DGCDHN CC[N@H+](Cc1c[nH]c2ncnc(Cl)c12)Cc1ccccc1[O-] ZINC001139937754 1091719012 /nfs/dbraw/zinc/71/90/12/1091719012.db2.gz AATYJSMQUNIXBJ-UHFFFAOYSA-N 0 3 316.792 3.291 20 10 DGCDHN CC[N@@H+](Cc1c[nH]c2ncnc(Cl)c12)Cc1ccccc1[O-] ZINC001139937754 1091719018 /nfs/dbraw/zinc/71/90/18/1091719018.db2.gz AATYJSMQUNIXBJ-UHFFFAOYSA-N 0 3 316.792 3.291 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccccc1-c1cncnc1 ZINC001140021240 1091740763 /nfs/dbraw/zinc/74/07/63/1091740763.db2.gz MVISUAFGPFZXOY-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccccc1-c1cncnc1 ZINC001140021240 1091740770 /nfs/dbraw/zinc/74/07/70/1091740770.db2.gz MVISUAFGPFZXOY-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN CCCc1noc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC001140058719 1091752782 /nfs/dbraw/zinc/75/27/82/1091752782.db2.gz JHNLHQAHARYMGU-UHFFFAOYSA-N 0 3 319.380 3.246 20 10 DGCDHN CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001203001028 1091765432 /nfs/dbraw/zinc/76/54/32/1091765432.db2.gz QPYWIPHMYHKJFK-UHFFFAOYSA-N 0 3 308.422 3.081 20 10 DGCDHN CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001203001028 1091765441 /nfs/dbraw/zinc/76/54/41/1091765441.db2.gz QPYWIPHMYHKJFK-UHFFFAOYSA-N 0 3 308.422 3.081 20 10 DGCDHN Cc1ccc(O)c(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001140617454 1091932855 /nfs/dbraw/zinc/93/28/55/1091932855.db2.gz OVCRWOCRZAGGBL-CQSZACIVSA-N 0 3 307.390 3.227 20 10 DGCDHN CCC1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660628 1091949474 /nfs/dbraw/zinc/94/94/74/1091949474.db2.gz YQTSISALZPWBFX-UHFFFAOYSA-N 0 3 306.425 3.284 20 10 DGCDHN Fc1cc(N2CCOCC2)ccc1CN1CCCC2(CCC2)C1 ZINC001140667127 1091951721 /nfs/dbraw/zinc/95/17/21/1091951721.db2.gz IJIYDZUNRAFHPX-UHFFFAOYSA-N 0 3 318.436 3.428 20 10 DGCDHN Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)c([O-])c1 ZINC001140947856 1092074261 /nfs/dbraw/zinc/07/42/61/1092074261.db2.gz IOQSMJGJEWGYHY-UHFFFAOYSA-N 0 3 322.408 3.187 20 10 DGCDHN Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001140948644 1092074796 /nfs/dbraw/zinc/07/47/96/1092074796.db2.gz RYXFDRVMOUMATP-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN COc1ccc(CC[N@H+](C)Cc2ccc(C)cc2[O-])cc1OC ZINC001140948315 1092075280 /nfs/dbraw/zinc/07/52/80/1092075280.db2.gz DILKGCYBRKVINU-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1ccc(CC[N@@H+](C)Cc2ccc(C)cc2[O-])cc1OC ZINC001140948315 1092075291 /nfs/dbraw/zinc/07/52/91/1092075291.db2.gz DILKGCYBRKVINU-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC001140953864 1092080263 /nfs/dbraw/zinc/08/02/63/1092080263.db2.gz ICFYVMDOFGSPRP-CABCVRRESA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC001140953864 1092080271 /nfs/dbraw/zinc/08/02/71/1092080271.db2.gz ICFYVMDOFGSPRP-CABCVRRESA-N 0 3 305.418 3.112 20 10 DGCDHN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075550 1092129543 /nfs/dbraw/zinc/12/95/43/1092129543.db2.gz UGVNMCKREYZNNC-HDICACEKSA-N 0 3 310.441 3.081 20 10 DGCDHN CN(Cc1cccc(F)c1)Cc1ccc2c(c1)OCCN2C ZINC001141140808 1092148718 /nfs/dbraw/zinc/14/87/18/1092148718.db2.gz PNHVFWKNWVVZDB-UHFFFAOYSA-N 0 3 300.377 3.286 20 10 DGCDHN Oc1cccc2c1CN(Cc1ccc3c(c1)OCCCO3)CC2 ZINC001142271863 1092454440 /nfs/dbraw/zinc/45/44/40/1092454440.db2.gz WDTSHASYDWIDDY-UHFFFAOYSA-N 0 3 311.381 3.112 20 10 DGCDHN COC(=O)c1ccc2[nH]cc(C[N@H+](C)Cc3ccccc3[O-])c2c1 ZINC001143239367 1092639928 /nfs/dbraw/zinc/63/99/28/1092639928.db2.gz QCVNSNFDKVMUAZ-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN COC(=O)c1ccc2[nH]cc(C[N@@H+](C)Cc3ccccc3[O-])c2c1 ZINC001143239367 1092639933 /nfs/dbraw/zinc/63/99/33/1092639933.db2.gz QCVNSNFDKVMUAZ-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC001209518396 1092805934 /nfs/dbraw/zinc/80/59/34/1092805934.db2.gz KSSAAPTZZNMGQF-UHFFFAOYSA-N 0 3 309.457 3.374 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210355459 1093136492 /nfs/dbraw/zinc/13/64/92/1093136492.db2.gz IXXAMOZKJNWRKS-HNNXBMFYSA-N 0 3 316.832 3.062 20 10 DGCDHN C[C@@]1([NH2+]Cc2cc(F)ccc2[O-])CCN(Cc2ccccc2)C1 ZINC000405951847 1094460363 /nfs/dbraw/zinc/46/03/63/1094460363.db2.gz GQTLUUYFMZNTCZ-LJQANCHMSA-N 0 3 314.404 3.286 20 10 DGCDHN O=C1C=CC=CC1=NNc1ccccc1OC[C@H]1CNCCO1 ZINC001218178760 1094644272 /nfs/dbraw/zinc/64/42/72/1094644272.db2.gz CZWUNLLTSCEFMO-ZIPFOMIPSA-N 0 3 313.357 3.175 20 10 DGCDHN [O-]c1c(CN2CC[C@@]23CCC[NH2+]C3)cccc1-c1ccccc1 ZINC001222196777 1095487590 /nfs/dbraw/zinc/48/75/90/1095487590.db2.gz CCAZVRCJUFEJIB-HXUWFJFHSA-N 0 3 308.425 3.387 20 10 DGCDHN Cc1nc([C@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)no1 ZINC001139670004 1095615028 /nfs/dbraw/zinc/61/50/28/1095615028.db2.gz VAFNJWCHLKGPGN-INIZCTEOSA-N 0 3 314.433 3.132 20 10 DGCDHN CC[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccccc1[O-] ZINC001116674228 1095630917 /nfs/dbraw/zinc/63/09/17/1095630917.db2.gz WDYFKAUSHVDCAP-GOEBONIOSA-N 0 3 304.434 3.082 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c([O-])c1 ZINC001117749720 1095831881 /nfs/dbraw/zinc/83/18/81/1095831881.db2.gz AEIGXYVSJGKAAH-NVXWUHKLSA-N 0 3 321.461 3.085 20 10 DGCDHN CC[C@H](C)OCC[C@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC001172334450 1097116890 /nfs/dbraw/zinc/11/68/90/1097116890.db2.gz CNWFXQNVTHXDCC-IRXDYDNUSA-N 0 3 320.477 3.411 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1[O-] ZINC001172670868 1097212023 /nfs/dbraw/zinc/21/20/23/1097212023.db2.gz KCUYAPZBALOKGM-WBVHZDCISA-N 0 3 324.424 3.234 20 10 DGCDHN COC(=O)c1ccc(C[C@@H](C)[N@H+](C)Cc2ccccc2[O-])cc1 ZINC001173731127 1097509207 /nfs/dbraw/zinc/50/92/07/1097509207.db2.gz SNOMKSUFSXTCAY-CQSZACIVSA-N 0 3 313.397 3.242 20 10 DGCDHN COC(=O)c1ccc(C[C@@H](C)[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC001173731127 1097509209 /nfs/dbraw/zinc/50/92/09/1097509209.db2.gz SNOMKSUFSXTCAY-CQSZACIVSA-N 0 3 313.397 3.242 20 10 DGCDHN Cc1cc(F)cc(CN2CC3(CCN3C3CCCC3)C2)c1O ZINC001277520017 1097752178 /nfs/dbraw/zinc/75/21/78/1097752178.db2.gz VBIOPUMATCDJIZ-UHFFFAOYSA-N 0 3 304.409 3.042 20 10 DGCDHN COc1ccc(Br)c(CN2CCCC23CC3)c1O ZINC001231547494 1097778172 /nfs/dbraw/zinc/77/81/72/1097778172.db2.gz GTMNWTFYIYPQSL-UHFFFAOYSA-N 0 3 312.207 3.292 20 10 DGCDHN CC[C@@H](C)[N@H+](C)Cc1c(Br)ccc(OC)c1[O-] ZINC001231549468 1097778241 /nfs/dbraw/zinc/77/82/41/1097778241.db2.gz BANWRFQPFWFCTI-SECBINFHSA-N 0 3 302.212 3.394 20 10 DGCDHN CC[C@@H](C)[N@@H+](C)Cc1c(Br)ccc(OC)c1[O-] ZINC001231549468 1097778244 /nfs/dbraw/zinc/77/82/44/1097778244.db2.gz BANWRFQPFWFCTI-SECBINFHSA-N 0 3 302.212 3.394 20 10 DGCDHN CC[C@@H](C)N(C)Cc1c(Br)ccc(OC)c1O ZINC001231549468 1097778246 /nfs/dbraw/zinc/77/82/46/1097778246.db2.gz BANWRFQPFWFCTI-SECBINFHSA-N 0 3 302.212 3.394 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001231587432 1097785909 /nfs/dbraw/zinc/78/59/09/1097785909.db2.gz CCJBXSAEONGWPW-SFHVURJKSA-N 0 3 303.377 3.232 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001231587432 1097785915 /nfs/dbraw/zinc/78/59/15/1097785915.db2.gz CCJBXSAEONGWPW-SFHVURJKSA-N 0 3 303.377 3.232 20 10 DGCDHN O=C1CCC[C@@]2(CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)N1 ZINC001231586764 1097786115 /nfs/dbraw/zinc/78/61/15/1097786115.db2.gz GFGXLDQXRLCWIH-FQEVSTJZSA-N 0 3 324.424 3.180 20 10 DGCDHN O=C1CCC[C@@]2(CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)N1 ZINC001231586764 1097786119 /nfs/dbraw/zinc/78/61/19/1097786119.db2.gz GFGXLDQXRLCWIH-FQEVSTJZSA-N 0 3 324.424 3.180 20 10 DGCDHN COc1cccc2c(C[N@@H+]3CCc4cccc([O-])c4C3)c[nH]c21 ZINC001231899981 1097885661 /nfs/dbraw/zinc/88/56/61/1097885661.db2.gz ZTIKCRVNUBEVMV-UHFFFAOYSA-N 0 3 308.381 3.440 20 10 DGCDHN COc1cccc2c(C[N@H+]3CCc4cccc([O-])c4C3)c[nH]c21 ZINC001231899981 1097885667 /nfs/dbraw/zinc/88/56/67/1097885667.db2.gz ZTIKCRVNUBEVMV-UHFFFAOYSA-N 0 3 308.381 3.440 20 10 DGCDHN COc1cc([O-])c(CN2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC001232265044 1097986025 /nfs/dbraw/zinc/98/60/25/1097986025.db2.gz NVSFWYHTRQMQKQ-UHFFFAOYSA-N 0 3 324.852 3.114 20 10 DGCDHN COc1cc([O-])c(CN2CC[N@H+](C)CC23CCCC3)cc1Cl ZINC001232271569 1097989012 /nfs/dbraw/zinc/98/90/12/1097989012.db2.gz XFXFWNHBZGMLRK-UHFFFAOYSA-N 0 3 324.852 3.114 20 10 DGCDHN COc1cc([O-])c(CN2CC[N@@H+](C)CC23CCCC3)cc1Cl ZINC001232271569 1097989015 /nfs/dbraw/zinc/98/90/15/1097989015.db2.gz XFXFWNHBZGMLRK-UHFFFAOYSA-N 0 3 324.852 3.114 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ccccc1[O-] ZINC001175418465 1098039467 /nfs/dbraw/zinc/03/94/67/1098039467.db2.gz LCMVRVLTQCLJGL-MNOVXSKESA-N 0 3 320.339 3.348 20 10 DGCDHN COc1cccc2c1CN(Cc1ccc(N(C)C)cc1O)CC2 ZINC001232835204 1098148041 /nfs/dbraw/zinc/14/80/41/1098148041.db2.gz ZPJQBGKQLNHDJS-UHFFFAOYSA-N 0 3 312.413 3.025 20 10 DGCDHN CCN1CCN(c2ccc(N(C)c3ccc(N)cc3)cc2)CC1 ZINC001175783077 1098169709 /nfs/dbraw/zinc/16/97/09/1098169709.db2.gz XEFYLIASWRMJAG-UHFFFAOYSA-N 0 3 310.445 3.179 20 10 DGCDHN CN(CCc1ccccc1Cl)Cc1cc(O)c(O)c(O)c1 ZINC001233013644 1098204498 /nfs/dbraw/zinc/20/44/98/1098204498.db2.gz RIHMAIFVARYIFY-UHFFFAOYSA-N 0 3 307.777 3.131 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c1[O-] ZINC001233287635 1098278366 /nfs/dbraw/zinc/27/83/66/1098278366.db2.gz ANGNVUVGOFNDMH-MRXNPFEDSA-N 0 3 313.825 3.039 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(CO)CC2)c1[O-] ZINC001233287635 1098278370 /nfs/dbraw/zinc/27/83/70/1098278370.db2.gz ANGNVUVGOFNDMH-MRXNPFEDSA-N 0 3 313.825 3.039 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233294858 1098279348 /nfs/dbraw/zinc/27/93/48/1098279348.db2.gz BQBVWJIIMWNIIV-UHFFFAOYSA-N 0 3 324.380 3.374 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233294858 1098279353 /nfs/dbraw/zinc/27/93/53/1098279353.db2.gz BQBVWJIIMWNIIV-UHFFFAOYSA-N 0 3 324.380 3.374 20 10 DGCDHN C[C@@]1(O)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233727319 1098416817 /nfs/dbraw/zinc/41/68/17/1098416817.db2.gz MHQORIVSMMDZPK-CQSZACIVSA-N 0 3 319.323 3.028 20 10 DGCDHN C[C@@]1(O)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233727319 1098416821 /nfs/dbraw/zinc/41/68/21/1098416821.db2.gz MHQORIVSMMDZPK-CQSZACIVSA-N 0 3 319.323 3.028 20 10 DGCDHN CCO[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754791 1098423336 /nfs/dbraw/zinc/42/33/36/1098423336.db2.gz LJRWSMHTFPDAPZ-GFCCVEGCSA-N 0 3 319.323 3.292 20 10 DGCDHN CCO[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754791 1098423338 /nfs/dbraw/zinc/42/33/38/1098423338.db2.gz LJRWSMHTFPDAPZ-GFCCVEGCSA-N 0 3 319.323 3.292 20 10 DGCDHN CO[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@@H](C)C1 ZINC001233776169 1098429137 /nfs/dbraw/zinc/42/91/37/1098429137.db2.gz MCGAKZNYWLHKQB-CMPLNLGQSA-N 0 3 319.323 3.290 20 10 DGCDHN CO[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@@H](C)C1 ZINC001233776169 1098429139 /nfs/dbraw/zinc/42/91/39/1098429139.db2.gz MCGAKZNYWLHKQB-CMPLNLGQSA-N 0 3 319.323 3.290 20 10 DGCDHN Cc1cn2c(CNCc3ccc4c(c3)CCO4)c(C)nc2s1 ZINC001177586870 1098558749 /nfs/dbraw/zinc/55/87/49/1098558749.db2.gz MLAYLTJVDIRKQY-UHFFFAOYSA-N 0 3 313.426 3.237 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C)[C@H]3CO)c2c1 ZINC001234525473 1098581000 /nfs/dbraw/zinc/58/10/00/1098581000.db2.gz ICYFKIHJWDPPNS-FZKQIMNGSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](C)[C@H]3CO)c2c1 ZINC001234525473 1098581006 /nfs/dbraw/zinc/58/10/06/1098581006.db2.gz ICYFKIHJWDPPNS-FZKQIMNGSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](C)[C@H]3CO)c2c1 ZINC001234525474 1098581025 /nfs/dbraw/zinc/58/10/25/1098581025.db2.gz ICYFKIHJWDPPNS-SCLBCKFNSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](C)[C@H]3CO)c2c1 ZINC001234525474 1098581028 /nfs/dbraw/zinc/58/10/28/1098581028.db2.gz ICYFKIHJWDPPNS-SCLBCKFNSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3CN(C)C)c2c1 ZINC001234553228 1098596462 /nfs/dbraw/zinc/59/64/62/1098596462.db2.gz ZQEXUUBTLAMKFJ-HNNXBMFYSA-N 0 3 314.429 3.080 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3CN(C)C)c2c1 ZINC001234553228 1098596468 /nfs/dbraw/zinc/59/64/68/1098596468.db2.gz ZQEXUUBTLAMKFJ-HNNXBMFYSA-N 0 3 314.429 3.080 20 10 DGCDHN CCCOC[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657042 1098634719 /nfs/dbraw/zinc/63/47/19/1098634719.db2.gz AEQMRNPRTVJLNR-INIZCTEOSA-N 0 3 306.450 3.022 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H](C)c3nccs3)cc2)CC1 ZINC001234661475 1098637302 /nfs/dbraw/zinc/63/73/02/1098637302.db2.gz UDRDGGUWGFRWJL-CQSZACIVSA-N 0 3 317.458 3.425 20 10 DGCDHN COC1(CNCc2cc(F)c(N(C)C)cc2F)CCCCC1 ZINC001178524625 1098855852 /nfs/dbraw/zinc/85/58/52/1098855852.db2.gz LFBATSCFSPXGBH-UHFFFAOYSA-N 0 3 312.404 3.470 20 10 DGCDHN CC(C)(C)c1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001235673956 1099116253 /nfs/dbraw/zinc/11/62/53/1099116253.db2.gz BYPQSVDCVWBFNU-HNNXBMFYSA-N 0 3 317.351 3.189 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@H]1C ZINC001235679560 1099122021 /nfs/dbraw/zinc/12/20/21/1099122021.db2.gz POOYWJJWXYPLHL-BBRMVZONSA-N 0 3 319.445 3.463 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@H]1C ZINC001235679560 1099122025 /nfs/dbraw/zinc/12/20/25/1099122025.db2.gz POOYWJJWXYPLHL-BBRMVZONSA-N 0 3 319.445 3.463 20 10 DGCDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679427 1099122269 /nfs/dbraw/zinc/12/22/69/1099122269.db2.gz ONGXJBUANXOLEA-HIFRSBDPSA-N 0 3 319.445 3.321 20 10 DGCDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679427 1099122279 /nfs/dbraw/zinc/12/22/79/1099122279.db2.gz ONGXJBUANXOLEA-HIFRSBDPSA-N 0 3 319.445 3.321 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c([O-])c1 ZINC001235678512 1099122987 /nfs/dbraw/zinc/12/29/87/1099122987.db2.gz CADDWOCNWFCMPC-MRXNPFEDSA-N 0 3 314.433 3.118 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c([O-])c1 ZINC001235678512 1099122989 /nfs/dbraw/zinc/12/29/89/1099122989.db2.gz CADDWOCNWFCMPC-MRXNPFEDSA-N 0 3 314.433 3.118 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCc3cc(N)ccc3C2)c1O ZINC001236108015 1099397571 /nfs/dbraw/zinc/39/75/71/1099397571.db2.gz GWDAYLLRMCKUBK-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN Cc1cc([O-])c(CN2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC001180547146 1099455216 /nfs/dbraw/zinc/45/52/16/1099455216.db2.gz WYJHZEXUZPFYCE-UHFFFAOYSA-N 0 3 308.853 3.414 20 10 DGCDHN CC(C)N(Cc1cccc(C(F)(F)F)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236470206 1099630184 /nfs/dbraw/zinc/63/01/84/1099630184.db2.gz BOAQOHVUFQGBPG-CYBMUJFWSA-N 0 3 316.367 3.373 20 10 DGCDHN [O-]c1c(CN(C2CC2)[C@@H]2CC[NH2+]C2)cccc1-c1ccccc1 ZINC001236527223 1099662295 /nfs/dbraw/zinc/66/22/95/1099662295.db2.gz ANELKIBWXXTEIE-GOSISDBHSA-N 0 3 308.425 3.386 20 10 DGCDHN CCc1ccc(CN2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001236783075 1099780590 /nfs/dbraw/zinc/78/05/90/1099780590.db2.gz HSSNARFXUFNZNQ-LJQANCHMSA-N 0 3 310.441 3.443 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(CC)cc2[O-])C[C@@H]1C ZINC001236786868 1099782639 /nfs/dbraw/zinc/78/26/39/1099782639.db2.gz FAWRIPOIGATPCJ-HOCLYGCPSA-N 0 3 319.445 3.366 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(CC)cc2[O-])C[C@@H]1C ZINC001236786868 1099782647 /nfs/dbraw/zinc/78/26/47/1099782647.db2.gz FAWRIPOIGATPCJ-HOCLYGCPSA-N 0 3 319.445 3.366 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001236787016 1099783005 /nfs/dbraw/zinc/78/30/05/1099783005.db2.gz GTFRYXGIXBIHBG-KRWDZBQOSA-N 0 3 312.413 3.311 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001236787016 1099783015 /nfs/dbraw/zinc/78/30/15/1099783015.db2.gz GTFRYXGIXBIHBG-KRWDZBQOSA-N 0 3 312.413 3.311 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001236788769 1099785680 /nfs/dbraw/zinc/78/56/80/1099785680.db2.gz QEISCZGFVRNMNO-QGZVFWFLSA-N 0 3 312.413 3.311 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001236788769 1099785684 /nfs/dbraw/zinc/78/56/84/1099785684.db2.gz QEISCZGFVRNMNO-QGZVFWFLSA-N 0 3 312.413 3.311 20 10 DGCDHN CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(CC)cc1O ZINC001236792326 1099787038 /nfs/dbraw/zinc/78/70/38/1099787038.db2.gz OZIJMIKALTWTRV-ZVZYQTTQSA-N 0 3 317.429 3.118 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC(OC3CCC3)CC2)c([O-])c1 ZINC001236807407 1099800044 /nfs/dbraw/zinc/80/00/44/1099800044.db2.gz GWBKDKKDYXNFMX-UHFFFAOYSA-N 0 3 305.418 3.243 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])c1 ZINC001236814741 1099803717 /nfs/dbraw/zinc/80/37/17/1099803717.db2.gz VQFSZNSRVDGQNN-MRXNPFEDSA-N 0 3 312.413 3.311 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])c1 ZINC001236814741 1099803732 /nfs/dbraw/zinc/80/37/32/1099803732.db2.gz VQFSZNSRVDGQNN-MRXNPFEDSA-N 0 3 312.413 3.311 20 10 DGCDHN COc1cc(C)c(CN2CCc3c(F)cccc3C2)c(O)c1 ZINC001236821919 1099805395 /nfs/dbraw/zinc/80/53/95/1099805395.db2.gz WPMNGKRTEMPVRY-UHFFFAOYSA-N 0 3 301.361 3.407 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])[C@@H]1C ZINC001236830577 1099814505 /nfs/dbraw/zinc/81/45/05/1099814505.db2.gz BSHBTXUTNGWADL-CXAGYDPISA-N 0 3 313.397 3.319 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])[C@@H]1C ZINC001236830577 1099814513 /nfs/dbraw/zinc/81/45/13/1099814513.db2.gz BSHBTXUTNGWADL-CXAGYDPISA-N 0 3 313.397 3.319 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236835449 1099824277 /nfs/dbraw/zinc/82/42/77/1099824277.db2.gz LXHSARWLLINJFF-CQSZACIVSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236835449 1099824285 /nfs/dbraw/zinc/82/42/85/1099824285.db2.gz LXHSARWLLINJFF-CQSZACIVSA-N 0 3 313.397 3.321 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001237048278 1099942522 /nfs/dbraw/zinc/94/25/22/1099942522.db2.gz JBGKPKWKHUPQGN-IBGZPJMESA-N 0 3 316.445 3.150 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001237048278 1099942528 /nfs/dbraw/zinc/94/25/28/1099942528.db2.gz JBGKPKWKHUPQGN-IBGZPJMESA-N 0 3 316.445 3.150 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c([O-])c1 ZINC001237050110 1099945201 /nfs/dbraw/zinc/94/52/01/1099945201.db2.gz YHMFKHNFKHILDP-UHFFFAOYSA-N 0 3 312.413 3.217 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c([O-])c1 ZINC001237050110 1099945215 /nfs/dbraw/zinc/94/52/15/1099945215.db2.gz YHMFKHNFKHILDP-UHFFFAOYSA-N 0 3 312.413 3.217 20 10 DGCDHN CCOCC[NH+](CCOCC)Cc1ccc(C(C)C)cc1[O-] ZINC001237048462 1099945816 /nfs/dbraw/zinc/94/58/16/1099945816.db2.gz GOKIMGDLZJHRSB-UHFFFAOYSA-N 0 3 309.450 3.391 20 10 DGCDHN CN(Cc1c([O-])ccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC001237078375 1099959276 /nfs/dbraw/zinc/95/92/76/1099959276.db2.gz QJRPLMJPDNIBPQ-UHFFFAOYSA-N 0 3 303.233 3.225 20 10 DGCDHN CN1CCC([N@H+](C)Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237078375 1099959285 /nfs/dbraw/zinc/95/92/85/1099959285.db2.gz QJRPLMJPDNIBPQ-UHFFFAOYSA-N 0 3 303.233 3.225 20 10 DGCDHN CN1CCC([N@@H+](C)Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237078375 1099959293 /nfs/dbraw/zinc/95/92/93/1099959293.db2.gz QJRPLMJPDNIBPQ-UHFFFAOYSA-N 0 3 303.233 3.225 20 10 DGCDHN CCCCN1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237139851 1099990260 /nfs/dbraw/zinc/99/02/60/1099990260.db2.gz QDCRQKVIWSZIHM-UHFFFAOYSA-N 0 3 316.367 3.329 20 10 DGCDHN C[N@H+](CCc1cccnc1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237141553 1099993062 /nfs/dbraw/zinc/99/30/62/1099993062.db2.gz YDZFLHZVKLUVLT-UHFFFAOYSA-N 0 3 310.319 3.481 20 10 DGCDHN C[N@@H+](CCc1cccnc1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237141553 1099993074 /nfs/dbraw/zinc/99/30/74/1099993074.db2.gz YDZFLHZVKLUVLT-UHFFFAOYSA-N 0 3 310.319 3.481 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001237142288 1099994098 /nfs/dbraw/zinc/99/40/98/1099994098.db2.gz GJWOWIBYKRUFNT-YGRLFVJLSA-N 0 3 301.308 3.022 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001237142288 1099994109 /nfs/dbraw/zinc/99/41/09/1099994109.db2.gz GJWOWIBYKRUFNT-YGRLFVJLSA-N 0 3 301.308 3.022 20 10 DGCDHN COc1ccccc1O[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237490504 1100141234 /nfs/dbraw/zinc/14/12/34/1100141234.db2.gz VJSGOMQLWKNYRI-OAHLLOKOSA-N 0 3 313.397 3.363 20 10 DGCDHN COc1ccccc1O[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237490504 1100141237 /nfs/dbraw/zinc/14/12/37/1100141237.db2.gz VJSGOMQLWKNYRI-OAHLLOKOSA-N 0 3 313.397 3.363 20 10 DGCDHN C[C@@]1(O)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640446 1100199611 /nfs/dbraw/zinc/19/96/11/1100199611.db2.gz BOKGUYSPMWFXLC-GOSISDBHSA-N 0 3 301.361 3.155 20 10 DGCDHN C[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640446 1100199615 /nfs/dbraw/zinc/19/96/15/1100199615.db2.gz BOKGUYSPMWFXLC-GOSISDBHSA-N 0 3 301.361 3.155 20 10 DGCDHN C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])[C@H]1CCOC1 ZINC001237643726 1100201115 /nfs/dbraw/zinc/20/11/15/1100201115.db2.gz BDLWVYZLPRLKAQ-KRWDZBQOSA-N 0 3 301.361 3.419 20 10 DGCDHN C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])[C@H]1CCOC1 ZINC001237643726 1100201122 /nfs/dbraw/zinc/20/11/22/1100201122.db2.gz BDLWVYZLPRLKAQ-KRWDZBQOSA-N 0 3 301.361 3.419 20 10 DGCDHN CCC[N@H+](CCOC)Cc1cc(Br)c(C)cc1[O-] ZINC001237678462 1100212965 /nfs/dbraw/zinc/21/29/65/1100212965.db2.gz ZLQWEMZLKDNJER-UHFFFAOYSA-N 0 3 316.239 3.322 20 10 DGCDHN CCC[N@@H+](CCOC)Cc1cc(Br)c(C)cc1[O-] ZINC001237678462 1100212972 /nfs/dbraw/zinc/21/29/72/1100212972.db2.gz ZLQWEMZLKDNJER-UHFFFAOYSA-N 0 3 316.239 3.322 20 10 DGCDHN CCN(C(C)=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237690482 1100214003 /nfs/dbraw/zinc/21/40/03/1100214003.db2.gz YIWFACWWWIEOBD-UHFFFAOYSA-N 0 3 324.852 3.187 20 10 DGCDHN Cc1cc(F)cc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1O ZINC001238064859 1100347881 /nfs/dbraw/zinc/34/78/81/1100347881.db2.gz DDSXYYVQHVERLJ-IRXDYDNUSA-N 0 3 324.415 3.238 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)cc(C)c2[O-])C[C@@H]1C ZINC001238067550 1100348708 /nfs/dbraw/zinc/34/87/08/1100348708.db2.gz UVKXOOZWYXPPST-KBPBESRZSA-N 0 3 323.408 3.251 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C)c2[O-])C[C@@H]1C ZINC001238067550 1100348719 /nfs/dbraw/zinc/34/87/19/1100348719.db2.gz UVKXOOZWYXPPST-KBPBESRZSA-N 0 3 323.408 3.251 20 10 DGCDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2[O-])[C@@H]1C ZINC001238071385 1100350942 /nfs/dbraw/zinc/35/09/42/1100350942.db2.gz WCEOPPRZBMRIHN-DOMZBBRYSA-N 0 3 309.381 3.003 20 10 DGCDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(C)c2[O-])[C@@H]1C ZINC001238071385 1100350952 /nfs/dbraw/zinc/35/09/52/1100350952.db2.gz WCEOPPRZBMRIHN-DOMZBBRYSA-N 0 3 309.381 3.003 20 10 DGCDHN CC1(C)CO[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC001192012753 1100561296 /nfs/dbraw/zinc/56/12/96/1100561296.db2.gz JXWSEVNAYDYOAR-IRXDYDNUSA-N 0 3 319.445 3.188 20 10 DGCDHN CC1(C)CO[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC001192012753 1100561297 /nfs/dbraw/zinc/56/12/97/1100561297.db2.gz JXWSEVNAYDYOAR-IRXDYDNUSA-N 0 3 319.445 3.188 20 10 DGCDHN c1ccc(N2CC=C(c3cnccc3N3CCOCC3)CC2)cc1 ZINC001241354576 1101397850 /nfs/dbraw/zinc/39/78/50/1101397850.db2.gz GKZICMMBKUGAFU-UHFFFAOYSA-N 0 3 321.424 3.212 20 10 DGCDHN CN(C)c1cc(F)c(CNCCOc2ccccc2)cc1F ZINC001198927386 1102029687 /nfs/dbraw/zinc/02/96/87/1102029687.db2.gz OJKDEWUAJZYJSF-UHFFFAOYSA-N 0 3 306.356 3.199 20 10 DGCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1[O-] ZINC001274302193 1104346778 /nfs/dbraw/zinc/34/67/78/1104346778.db2.gz XVJKVGHNZWLDJI-DJIMGWMZSA-N 0 3 316.445 3.064 20 10 DGCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)cccc1[O-] ZINC001274302193 1104346791 /nfs/dbraw/zinc/34/67/91/1104346791.db2.gz XVJKVGHNZWLDJI-DJIMGWMZSA-N 0 3 316.445 3.064 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c([O-])c1 ZINC001330641737 1104602803 /nfs/dbraw/zinc/60/28/03/1104602803.db2.gz YZORURWETBOGFV-UHFFFAOYSA-N 0 3 305.809 3.388 20 10 DGCDHN CN1C[C@@H]2CC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])[C@@H]2C1 ZINC001276139807 1105029300 /nfs/dbraw/zinc/02/93/00/1105029300.db2.gz CXTXMPVISLSYGS-QFBILLFUSA-N 0 3 308.425 3.195 20 10 DGCDHN CN1C[C@@H]2CC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])[C@@H]2C1 ZINC001276139807 1105029305 /nfs/dbraw/zinc/02/93/05/1105029305.db2.gz CXTXMPVISLSYGS-QFBILLFUSA-N 0 3 308.425 3.195 20 10 DGCDHN COC(=O)Cc1ccc(C[NH+]2CCC(C(C)(C)C)CC2)c([O-])c1 ZINC001249173803 1105239744 /nfs/dbraw/zinc/23/97/44/1105239744.db2.gz WUBAXMMXSRXDGF-UHFFFAOYSA-N 0 3 319.445 3.366 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCCC[C@@](C)(O)C3)ccc2O1 ZINC001249224214 1105249976 /nfs/dbraw/zinc/24/99/76/1105249976.db2.gz VCYNTVBTARTJCP-LJQANCHMSA-N 0 3 317.429 3.313 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCCC[C@@](C)(O)C3)ccc2O1 ZINC001249224214 1105249979 /nfs/dbraw/zinc/24/99/79/1105249979.db2.gz VCYNTVBTARTJCP-LJQANCHMSA-N 0 3 317.429 3.313 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@]34CCOC4)ccc2O1 ZINC001249251894 1105256602 /nfs/dbraw/zinc/25/66/02/1105256602.db2.gz BDWWSCQSLPTQMB-LJQANCHMSA-N 0 3 315.413 3.331 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@]34CCOC4)ccc2O1 ZINC001249251894 1105256605 /nfs/dbraw/zinc/25/66/05/1105256605.db2.gz BDWWSCQSLPTQMB-LJQANCHMSA-N 0 3 315.413 3.331 20 10 DGCDHN CC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249251872 1105256821 /nfs/dbraw/zinc/25/68/21/1105256821.db2.gz AWQOAJLJMPVDRE-CQSZACIVSA-N 0 3 315.413 3.377 20 10 DGCDHN CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249251872 1105256824 /nfs/dbraw/zinc/25/68/24/1105256824.db2.gz AWQOAJLJMPVDRE-CQSZACIVSA-N 0 3 315.413 3.377 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@H+](C)C(C)(C)C)c([O-])c1 ZINC001249734197 1105368332 /nfs/dbraw/zinc/36/83/32/1105368332.db2.gz UFGWUKKNSDTHNI-UHFFFAOYSA-N 0 3 323.433 3.345 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@@H+](C)C(C)(C)C)c([O-])c1 ZINC001249734197 1105368338 /nfs/dbraw/zinc/36/83/38/1105368338.db2.gz UFGWUKKNSDTHNI-UHFFFAOYSA-N 0 3 323.433 3.345 20 10 DGCDHN CN(C)c1cc(F)cc(CN2CCc3cccc(O)c3C2)c1 ZINC001249957546 1105415146 /nfs/dbraw/zinc/41/51/46/1105415146.db2.gz CQVHTVJSPCBNIF-UHFFFAOYSA-N 0 3 300.377 3.156 20 10 DGCDHN Cc1cc(CN(C)Cc2ccncc2)c(O)cc1Br ZINC001250120368 1105445371 /nfs/dbraw/zinc/44/53/71/1105445371.db2.gz BTUKYNXJJCVSBW-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN Cc1cc(C[N@H+](C)Cc2ccncc2)c([O-])cc1Br ZINC001250120368 1105445375 /nfs/dbraw/zinc/44/53/75/1105445375.db2.gz BTUKYNXJJCVSBW-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN Cc1cc(C[N@@H+](C)Cc2ccncc2)c([O-])cc1Br ZINC001250120368 1105445378 /nfs/dbraw/zinc/44/53/78/1105445378.db2.gz BTUKYNXJJCVSBW-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN CCOC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C1 ZINC001255353877 1106231076 /nfs/dbraw/zinc/23/10/76/1106231076.db2.gz QADGLMYITJHCSI-GJZGRUSLSA-N 0 3 305.418 3.221 20 10 DGCDHN CCOc1ccc(N2CCN([C@H](C)Cc3ccco3)CC2)cc1 ZINC001258197355 1106694027 /nfs/dbraw/zinc/69/40/27/1106694027.db2.gz GDXSGVNQTMGETH-MRXNPFEDSA-N 0 3 314.429 3.432 20 10 DGCDHN COc1ccc(N2CCN([C@H](C)Cc3ccco3)CC2)c(C)c1 ZINC001258197341 1106694068 /nfs/dbraw/zinc/69/40/68/1106694068.db2.gz FUSNPZNTYIAONW-MRXNPFEDSA-N 0 3 314.429 3.350 20 10 DGCDHN O=C1CC[C@@H]([NH2+]Cc2ccccc2[O-])CCN1Cc1ccccc1 ZINC001258569329 1106827322 /nfs/dbraw/zinc/82/73/22/1106827322.db2.gz UBHDAFLWYDPJSK-GOSISDBHSA-N 0 3 324.424 3.063 20 10 DGCDHN C[C@H](NCc1cc(OCC(F)F)ccn1)c1ccccc1O ZINC001320137667 1106894650 /nfs/dbraw/zinc/89/46/50/1106894650.db2.gz YGHXFWGVKQUKLE-NSHDSACASA-N 0 3 308.328 3.282 20 10 DGCDHN CO[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC001324541364 1108334734 /nfs/dbraw/zinc/33/47/34/1108334734.db2.gz JYLQWXBMHXNUKM-DOTOQJQBSA-N 0 3 301.361 3.496 20 10 DGCDHN CCO[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000701661679 1108977058 /nfs/dbraw/zinc/97/70/58/1108977058.db2.gz OYCVQCVZRCVHGP-CYBMUJFWSA-N 0 3 314.223 3.074 20 10 DGCDHN COc1ccc(N2CCN(CCCC3CC3)CC2)c(OC)c1 ZINC001308017132 1111366292 /nfs/dbraw/zinc/36/62/92/1111366292.db2.gz SMYRRHQABDPWBC-UHFFFAOYSA-N 0 3 304.434 3.016 20 10 DGCDHN Cc1cccn2c(CNCc3ccc(N(C)C)cc3C)cnc12 ZINC001308262369 1111406889 /nfs/dbraw/zinc/40/68/89/1111406889.db2.gz SOGBVYASZDCLMK-UHFFFAOYSA-N 0 3 308.429 3.307 20 10 DGCDHN CN(C)c1ccc(CNCc2ccc3oc(=O)[nH]c3c2)cc1F ZINC001308512971 1111436783 /nfs/dbraw/zinc/43/67/83/1111436783.db2.gz LKVOUIBZWSTRAB-UHFFFAOYSA-N 0 3 315.348 3.028 20 10 DGCDHN CCN(CC)CC[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308556239 1111444011 /nfs/dbraw/zinc/44/40/11/1111444011.db2.gz XVPQTLGBNPDSTN-NSHDSACASA-N 0 3 302.821 3.395 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)C[C@H](C)c2nccs2)c([O-])c1 ZINC001308636100 1111454119 /nfs/dbraw/zinc/45/41/19/1111454119.db2.gz YKTVJWXYKTXBIC-LBPRGKRZSA-N 0 3 306.431 3.401 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)C[C@H](C)c2nccs2)c([O-])c1 ZINC001308636100 1111454120 /nfs/dbraw/zinc/45/41/20/1111454120.db2.gz YKTVJWXYKTXBIC-LBPRGKRZSA-N 0 3 306.431 3.401 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC001308890107 1111488998 /nfs/dbraw/zinc/48/89/98/1111488998.db2.gz VJHPOYZUDZNNMM-HIFRSBDPSA-N 0 3 320.433 3.188 20 10 DGCDHN Cc1ccc(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001308920315 1111494577 /nfs/dbraw/zinc/49/45/77/1111494577.db2.gz JXYZHAMBFDUIHL-UHFFFAOYSA-N 0 3 322.449 3.484 20 10 DGCDHN Cc1cc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000106856774 432022979 /nfs/dbraw/zinc/02/29/79/432022979.db2.gz PQZMJKQPOACTBB-HNNXBMFYSA-N 0 3 320.433 3.108 20 10 DGCDHN C[C@H](NCCC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000164964351 432052513 /nfs/dbraw/zinc/05/25/13/432052513.db2.gz HJVNWVRJQHKTRN-HNNXBMFYSA-N 0 3 311.429 3.432 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134787602 432085688 /nfs/dbraw/zinc/08/56/88/432085688.db2.gz PBZSVVNTXDSMDX-SCTFDZSOSA-N 0 3 303.402 3.009 20 10 DGCDHN CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000268569373 432104518 /nfs/dbraw/zinc/10/45/18/432104518.db2.gz PZPUEAUVMUKOMM-GOSISDBHSA-N 0 3 324.424 3.160 20 10 DGCDHN O=C1CCCN1c1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000296200187 284793477 /nfs/dbraw/zinc/79/34/77/284793477.db2.gz YYJUWCNQDDOLKG-KRWDZBQOSA-N 0 3 322.408 3.296 20 10 DGCDHN C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183491156 533380081 /nfs/dbraw/zinc/38/00/81/533380081.db2.gz JFZPBACBMRFGBD-CYBMUJFWSA-N 0 3 308.422 3.300 20 10 DGCDHN COCC[C@H](NCc1cc(OC)ccc1O)c1ccc(C)o1 ZINC000272551596 130040692 /nfs/dbraw/zinc/04/06/92/130040692.db2.gz DBMWKPRJRXDBJJ-HNNXBMFYSA-N 0 3 305.374 3.170 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)c([O-])c1C ZINC000273411169 130118520 /nfs/dbraw/zinc/11/85/20/130118520.db2.gz PRAAEHSBJFXYMW-JKSUJKDBSA-N 0 3 307.434 3.245 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000273513182 130131298 /nfs/dbraw/zinc/13/12/98/130131298.db2.gz SEFOJZSQEYRDAD-CJNGLKHVSA-N 0 3 303.377 3.094 20 10 DGCDHN C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc2c(cc1[O-])CCCC2 ZINC000273530764 130133408 /nfs/dbraw/zinc/13/34/08/130133408.db2.gz WECUMMXSFVSHDG-MEBBXXQBSA-N 0 3 317.351 3.235 20 10 DGCDHN C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc2c(cc1[O-])CCCC2 ZINC000273530761 130133662 /nfs/dbraw/zinc/13/36/62/130133662.db2.gz WECUMMXSFVSHDG-BONVTDFDSA-N 0 3 317.351 3.235 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000273533265 130134105 /nfs/dbraw/zinc/13/41/05/130134105.db2.gz WUXVQHMWWYFPGO-DINDLPBHSA-N 0 3 307.340 3.443 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)NCC(=O)N(C)C2CCCCC2)c1 ZINC000273560540 130136774 /nfs/dbraw/zinc/13/67/74/130136774.db2.gz IBRGKFVXBNLOBX-CQSZACIVSA-N 0 3 304.434 3.142 20 10 DGCDHN COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000273596480 130141932 /nfs/dbraw/zinc/14/19/32/130141932.db2.gz QWXVJDMCNWVVLW-SNVBAGLBSA-N 0 3 320.320 3.299 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000273723022 130158727 /nfs/dbraw/zinc/15/87/27/130158727.db2.gz ISHUPWOPHZTTGZ-NWDGAFQWSA-N 0 3 313.825 3.349 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c1[O-] ZINC000273723019 130159193 /nfs/dbraw/zinc/15/91/93/130159193.db2.gz ISHUPWOPHZTTGZ-NEPJUHHUSA-N 0 3 313.825 3.349 20 10 DGCDHN C[C@H](NCCOCC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000276229295 130458913 /nfs/dbraw/zinc/45/89/13/130458913.db2.gz MXPQSUFKXSMPTA-NSHDSACASA-N 0 3 322.346 3.320 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000285304482 131156051 /nfs/dbraw/zinc/15/60/51/131156051.db2.gz SGAZFFRMOZDUSL-HUUCEWRRSA-N 0 3 305.418 3.345 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000285304487 131156134 /nfs/dbraw/zinc/15/61/34/131156134.db2.gz SGAZFFRMOZDUSL-LSDHHAIUSA-N 0 3 305.418 3.345 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000285304472 131156599 /nfs/dbraw/zinc/15/65/99/131156599.db2.gz SGAZFFRMOZDUSL-CABCVRRESA-N 0 3 305.418 3.345 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H](O)c2ccccc2)c1[O-] ZINC000289396971 131383360 /nfs/dbraw/zinc/38/33/60/131383360.db2.gz FWAXWKCCOBSJAG-HNNXBMFYSA-N 0 3 321.804 3.268 20 10 DGCDHN CC[C@H](COCC(F)(F)F)NCc1ccc2c(c1)CCO2 ZINC000294664463 131851703 /nfs/dbraw/zinc/85/17/03/131851703.db2.gz ABHUGWVICPOVJK-CYBMUJFWSA-N 0 3 303.324 3.069 20 10 DGCDHN COC1(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCC1 ZINC000292909719 292106899 /nfs/dbraw/zinc/10/68/99/292106899.db2.gz WWSFWZIWKYRVLK-KRWDZBQOSA-N 0 3 319.445 3.332 20 10 DGCDHN COC1(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCC1 ZINC000292909719 292106901 /nfs/dbraw/zinc/10/69/01/292106901.db2.gz WWSFWZIWKYRVLK-KRWDZBQOSA-N 0 3 319.445 3.332 20 10 DGCDHN Cn1cc(C[C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)cn1 ZINC000083113896 401110572 /nfs/dbraw/zinc/11/05/72/401110572.db2.gz KFFYJXOBQJWASQ-OAHLLOKOSA-N 0 3 321.424 3.344 20 10 DGCDHN Cn1cc(C[C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)cn1 ZINC000083113896 401110582 /nfs/dbraw/zinc/11/05/82/401110582.db2.gz KFFYJXOBQJWASQ-OAHLLOKOSA-N 0 3 321.424 3.344 20 10 DGCDHN CCOc1cccc(CNCc2cccc(COC)c2)c1O ZINC000077289173 431582942 /nfs/dbraw/zinc/58/29/42/431582942.db2.gz DWBISNLNOZESKH-UHFFFAOYSA-N 0 3 301.386 3.227 20 10 DGCDHN CCOc1cccc(C[NH2+]Cc2cccc(COC)c2)c1[O-] ZINC000077289173 431582947 /nfs/dbraw/zinc/58/29/47/431582947.db2.gz DWBISNLNOZESKH-UHFFFAOYSA-N 0 3 301.386 3.227 20 10 DGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000295114568 280451040 /nfs/dbraw/zinc/45/10/40/280451040.db2.gz VPIQYGJKCYYMTI-GOSISDBHSA-N 0 3 313.397 3.240 20 10 DGCDHN COCc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000121418585 431784609 /nfs/dbraw/zinc/78/46/09/431784609.db2.gz GOYOVSPSAXQIGJ-ZDUSSCGKSA-N 0 3 301.386 3.398 20 10 DGCDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000123084886 431854467 /nfs/dbraw/zinc/85/44/67/431854467.db2.gz SHIUGZOTDFKDMV-UHFFFAOYSA-N 0 3 324.424 3.095 20 10 DGCDHN CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000090846198 431895998 /nfs/dbraw/zinc/89/59/98/431895998.db2.gz QVCQOQWOIZCCCP-AWEZNQCLSA-N 0 3 314.477 3.462 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)c([O-])c1 ZINC000125810842 431936018 /nfs/dbraw/zinc/93/60/18/431936018.db2.gz ZECBYIOQWQBNJC-HIFRSBDPSA-N 0 3 321.417 3.002 20 10 DGCDHN CN1CCCc2cc(CNCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000057752407 431993339 /nfs/dbraw/zinc/99/33/39/431993339.db2.gz ZUODKCYIPVCZLM-UHFFFAOYSA-N 0 3 311.385 3.267 20 10 DGCDHN CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])CC(C)C ZINC000183401332 432290016 /nfs/dbraw/zinc/29/00/16/432290016.db2.gz FXDTXTDKCHUVSC-UONOGXRCSA-N 0 3 308.422 3.204 20 10 DGCDHN C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1[O-] ZINC000183430555 432293390 /nfs/dbraw/zinc/29/33/90/432293390.db2.gz ATTLWNYSDQCEIJ-HNNXBMFYSA-N 0 3 311.429 3.102 20 10 DGCDHN CCCOc1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c([O-])c1 ZINC000271190456 432348512 /nfs/dbraw/zinc/34/85/12/432348512.db2.gz LWLZWYQNBKPMPW-UHFFFAOYSA-N 0 3 315.417 3.284 20 10 DGCDHN CCC[N@H+](Cc1cccc(OC)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271214394 432354545 /nfs/dbraw/zinc/35/45/45/432354545.db2.gz WGKBRNBHSLDTCJ-BMGDILEWSA-N 0 3 319.445 3.426 20 10 DGCDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271214394 432354548 /nfs/dbraw/zinc/35/45/48/432354548.db2.gz WGKBRNBHSLDTCJ-BMGDILEWSA-N 0 3 319.445 3.426 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000271455818 432399115 /nfs/dbraw/zinc/39/91/15/432399115.db2.gz FKGWJOCHQOTHMD-CRAIPNDOSA-N 0 3 307.434 3.474 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCSC3(CCOCC3)C2)cc1C ZINC000184830766 432438764 /nfs/dbraw/zinc/43/87/64/432438764.db2.gz RTBMONZEMKFKMJ-UHFFFAOYSA-N 0 3 307.459 3.107 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCSC3(CCOCC3)C2)cc1C ZINC000184830766 432438768 /nfs/dbraw/zinc/43/87/68/432438768.db2.gz RTBMONZEMKFKMJ-UHFFFAOYSA-N 0 3 307.459 3.107 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000185026767 432456932 /nfs/dbraw/zinc/45/69/32/432456932.db2.gz XURUTKKASUEHHG-GFCCVEGCSA-N 0 3 304.356 3.235 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c([O-])c1 ZINC000185027027 432457895 /nfs/dbraw/zinc/45/78/95/432457895.db2.gz OFIXTASAKOLDJF-GFCCVEGCSA-N 0 3 304.356 3.235 20 10 DGCDHN COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000271539109 432419143 /nfs/dbraw/zinc/41/91/43/432419143.db2.gz PFHBEBZOBYJCCA-SCLBCKFNSA-N 0 3 301.386 3.267 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000271768530 432423637 /nfs/dbraw/zinc/42/36/37/432423637.db2.gz AZOFSYHUIPOGSZ-OAHLLOKOSA-N 0 3 305.418 3.372 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CC(C)(C)OC)c1[O-] ZINC000184709351 432424372 /nfs/dbraw/zinc/42/43/72/432424372.db2.gz LIPQOANDHXDPEE-JTQLQIEISA-N 0 3 301.814 3.347 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000271794043 432425337 /nfs/dbraw/zinc/42/53/37/432425337.db2.gz HLUOXRMNHCCOHL-ZWNOBZJWSA-N 0 3 314.223 3.120 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c([O-])c1 ZINC000185251855 432482505 /nfs/dbraw/zinc/48/25/05/432482505.db2.gz VEXRXJAHTUNDHP-HNNXBMFYSA-N 0 3 304.434 3.144 20 10 DGCDHN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000185418870 432499373 /nfs/dbraw/zinc/49/93/73/432499373.db2.gz BQQCPPQKMLJQLE-UGSOOPFHSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000185443456 432500834 /nfs/dbraw/zinc/50/08/34/432500834.db2.gz CSCQZFRRENBZMA-CYBMUJFWSA-N 0 3 314.385 3.080 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442342 432501133 /nfs/dbraw/zinc/50/11/33/432501133.db2.gz CQFMXTSAMCDACV-KBPBESRZSA-N 0 3 320.433 3.361 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)c1 ZINC000185119783 432468930 /nfs/dbraw/zinc/46/89/30/432468930.db2.gz XBLSJDNAVXCFLR-CHWSQXEVSA-N 0 3 301.386 3.305 20 10 DGCDHN C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1[O-] ZINC000154065922 432470555 /nfs/dbraw/zinc/47/05/55/432470555.db2.gz IJOLHODKAIXZIT-YJBOKZPZSA-N 0 3 324.424 3.407 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136358 432562226 /nfs/dbraw/zinc/56/22/26/432562226.db2.gz OYHOBVWRQLINDC-GDZNZVCISA-N 0 3 323.458 3.106 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000194619383 432562636 /nfs/dbraw/zinc/56/26/36/432562636.db2.gz ABTCGMNCJTUZNQ-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)c1 ZINC000186157647 432563688 /nfs/dbraw/zinc/56/36/88/432563688.db2.gz NYSYMQMYMJXKDU-MNOVXSKESA-N 0 3 304.390 3.460 20 10 DGCDHN C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185673635 432522621 /nfs/dbraw/zinc/52/26/21/432522621.db2.gz CFHCFJITWLJPTD-GRDNDAEWSA-N 0 3 319.445 3.116 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c1[O-] ZINC000185677584 432523701 /nfs/dbraw/zinc/52/37/01/432523701.db2.gz IWDBPAWAICCXCR-KDOFPFPSSA-N 0 3 314.429 3.182 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CCCOCCOCc1ccccc1 ZINC000272560021 432525184 /nfs/dbraw/zinc/52/51/84/432525184.db2.gz NFKIXPRQMSMZSE-UHFFFAOYSA-N 0 3 315.413 3.105 20 10 DGCDHN CC[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccccc1[O-] ZINC000155246567 432546056 /nfs/dbraw/zinc/54/60/56/432546056.db2.gz UDRXEWFWOYHMRW-MRXNPFEDSA-N 0 3 304.434 3.272 20 10 DGCDHN COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c(OC)c1 ZINC000273364890 432591132 /nfs/dbraw/zinc/59/11/32/432591132.db2.gz DXHDYYRLDXGVDY-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273486759 432603614 /nfs/dbraw/zinc/60/36/14/432603614.db2.gz NHVYBQDZANUGEQ-BHVCSQLQSA-N 0 3 309.475 3.079 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1[O-] ZINC000273706742 432629638 /nfs/dbraw/zinc/62/96/38/432629638.db2.gz FHLPFJGBHYKCEP-OAHLLOKOSA-N 0 3 324.852 3.114 20 10 DGCDHN Oc1ccccc1CNCc1c(F)cccc1N1CCCC1 ZINC000264542524 432657950 /nfs/dbraw/zinc/65/79/50/432657950.db2.gz RPCIPANPCNTEIB-UHFFFAOYSA-N 0 3 300.377 3.421 20 10 DGCDHN CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187308722 432658156 /nfs/dbraw/zinc/65/81/56/432658156.db2.gz PKLIZWJANLRICO-CMPLNLGQSA-N 0 3 316.239 3.275 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000226647910 432708789 /nfs/dbraw/zinc/70/87/89/432708789.db2.gz JLJOLUGTMDAFPN-ZDUSSCGKSA-N 0 3 308.422 3.094 20 10 DGCDHN CN(C)c1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1F ZINC000275959122 432763406 /nfs/dbraw/zinc/76/34/06/432763406.db2.gz JZXLVGJGOSFQNO-GOSISDBHSA-N 0 3 306.425 3.283 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCCCC3)O1)OCO2 ZINC000276594651 432821235 /nfs/dbraw/zinc/82/12/35/432821235.db2.gz FCMVIRVYLDTXHT-CQSZACIVSA-N 0 3 319.401 3.092 20 10 DGCDHN COc1ccc([C@@H](CCO)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296865840 432932622 /nfs/dbraw/zinc/93/26/22/432932622.db2.gz NTEGVVCYVKQPAQ-SJORKVTESA-N 0 3 313.397 3.101 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000279172320 432941808 /nfs/dbraw/zinc/94/18/08/432941808.db2.gz BYIQQGZBVBCESJ-UHFFFAOYSA-N 0 3 311.429 3.305 20 10 DGCDHN Cc1nc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])n[nH]1 ZINC000278637096 432898033 /nfs/dbraw/zinc/89/80/33/432898033.db2.gz HHQFMZMPQDGKRV-ZETCQYMHSA-N 0 3 315.204 3.019 20 10 DGCDHN Cc1nnc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC000278637096 432898036 /nfs/dbraw/zinc/89/80/36/432898036.db2.gz HHQFMZMPQDGKRV-ZETCQYMHSA-N 0 3 315.204 3.019 20 10 DGCDHN Cc1ccc([O-])c(C[NH+]2CCC(Oc3ccncc3C)CC2)c1 ZINC000278787186 432900779 /nfs/dbraw/zinc/90/07/79/432900779.db2.gz WHMKAECFPXUPFM-UHFFFAOYSA-N 0 3 312.413 3.447 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000289861141 432977372 /nfs/dbraw/zinc/97/73/72/432977372.db2.gz VKBKYNMBRAZKCA-YIONKMFJSA-N 0 3 324.852 3.111 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000289861141 432977377 /nfs/dbraw/zinc/97/73/77/432977377.db2.gz VKBKYNMBRAZKCA-YIONKMFJSA-N 0 3 324.852 3.111 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cn[nH]c2)c1[O-] ZINC000290011496 432983011 /nfs/dbraw/zinc/98/30/11/432983011.db2.gz ZUUBAZJECBHURG-JTQLQIEISA-N 0 3 324.222 3.080 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(C)cc1[O-] ZINC000280062209 433002355 /nfs/dbraw/zinc/00/23/55/433002355.db2.gz KMAJECFWZULCLQ-VYDXJSESSA-N 0 3 318.461 3.388 20 10 DGCDHN Cc1cccc(CC2(O)CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC000279818347 432992381 /nfs/dbraw/zinc/99/23/81/432992381.db2.gz PEGNVLQCOWGCLH-UHFFFAOYSA-N 0 3 311.425 3.270 20 10 DGCDHN CC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(C)cc1[O-] ZINC000280026643 432999688 /nfs/dbraw/zinc/99/96/88/432999688.db2.gz HTKSMLARWODEMM-VMBOVVBDSA-N 0 3 304.434 3.189 20 10 DGCDHN CC[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(C)cc1[O-] ZINC000280073922 433000973 /nfs/dbraw/zinc/00/09/73/433000973.db2.gz LDXBCKSDMBKQJT-RDJZCZTQSA-N 0 3 308.491 3.179 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000280126258 433003863 /nfs/dbraw/zinc/00/38/63/433003863.db2.gz ORETTXZTZBXNQP-HKUYNNGSSA-N 0 3 315.413 3.484 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H](O)c1ccc(F)cc1 ZINC000297909319 433030652 /nfs/dbraw/zinc/03/06/52/433030652.db2.gz WPBWQKXIZKDYIH-BKGUAONASA-N 0 3 301.361 3.230 20 10 DGCDHN Cc1cccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000290361475 433038330 /nfs/dbraw/zinc/03/83/30/433038330.db2.gz GVMKJLGCYPYSMY-KRWDZBQOSA-N 0 3 302.393 3.232 20 10 DGCDHN CCOc1ccc(O)c(CN2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000373175195 433113315 /nfs/dbraw/zinc/11/33/15/433113315.db2.gz FQEIHOYAMHGNKU-KRWDZBQOSA-N 0 3 315.417 3.170 20 10 DGCDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[O-] ZINC000374996536 433329852 /nfs/dbraw/zinc/32/98/52/433329852.db2.gz UEHLCUHTAVQWFH-CVEARBPZSA-N 0 3 313.376 3.085 20 10 DGCDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[O-] ZINC000374996536 433329861 /nfs/dbraw/zinc/32/98/61/433329861.db2.gz UEHLCUHTAVQWFH-CVEARBPZSA-N 0 3 313.376 3.085 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000375301377 433415598 /nfs/dbraw/zinc/41/55/98/433415598.db2.gz GHFHITNXWRFDKY-INIZCTEOSA-N 0 3 311.809 3.057 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000375301377 433415606 /nfs/dbraw/zinc/41/56/06/433415606.db2.gz GHFHITNXWRFDKY-INIZCTEOSA-N 0 3 311.809 3.057 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1C ZINC000292490590 433568556 /nfs/dbraw/zinc/56/85/56/433568556.db2.gz BOFWVGDUWGNZDS-KRWDZBQOSA-N 0 3 305.805 3.486 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1[O-] ZINC000282827853 433632936 /nfs/dbraw/zinc/63/29/36/433632936.db2.gz BLSNGBYBJQDMJF-CQSZACIVSA-N 0 3 305.809 3.255 20 10 DGCDHN CCC(CC)(CCO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000282984942 433642108 /nfs/dbraw/zinc/64/21/08/433642108.db2.gz JOXCKJDHGRMBJI-UHFFFAOYSA-N 0 3 301.814 3.085 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1C[C@H](c3ccc(F)cc3)C1)OCO2 ZINC000292822310 433597158 /nfs/dbraw/zinc/59/71/58/433597158.db2.gz XCMFXUUBSBIULF-NNUKFRKNSA-N 0 3 315.344 3.296 20 10 DGCDHN CCCCN(Cc1cn2cccnc2n1)Cc1ccccc1O ZINC000282476192 433612568 /nfs/dbraw/zinc/61/25/68/433612568.db2.gz OGZCFBJNFPBUEW-UHFFFAOYSA-N 0 3 310.401 3.237 20 10 DGCDHN CCCN1CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293506764 433761251 /nfs/dbraw/zinc/76/12/51/433761251.db2.gz AHEAZXFAQQILFP-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN CCC[N@@H+]1CC[C@@H](CNCc2cc(Cl)c(F)cc2[O-])C1 ZINC000293506764 433761258 /nfs/dbraw/zinc/76/12/58/433761258.db2.gz AHEAZXFAQQILFP-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN CCC[N@H+]1CC[C@@H](CNCc2cc(Cl)c(F)cc2[O-])C1 ZINC000293506764 433761268 /nfs/dbraw/zinc/76/12/68/433761268.db2.gz AHEAZXFAQQILFP-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN CN(C)c1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1F ZINC000293678941 433823853 /nfs/dbraw/zinc/82/38/53/433823853.db2.gz POSUEFVKKAETSJ-SFHVURJKSA-N 0 3 318.436 3.283 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c([O-])c1 ZINC000293724893 433842513 /nfs/dbraw/zinc/84/25/13/433842513.db2.gz MQPGYQABEGPSSO-MRXNPFEDSA-N 0 3 318.461 3.452 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c([O-])c1 ZINC000294063821 433982460 /nfs/dbraw/zinc/98/24/60/433982460.db2.gz HJFSPUIZASGMRZ-ZDUSSCGKSA-N 0 3 317.458 3.205 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000285609395 434013227 /nfs/dbraw/zinc/01/32/27/434013227.db2.gz JAXHVWATHKHQTA-NSHDSACASA-N 0 3 324.222 3.010 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000377836163 434017497 /nfs/dbraw/zinc/01/74/97/434017497.db2.gz ZGRTZDRQUNOPCC-CABCVRRESA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000377836163 434017504 /nfs/dbraw/zinc/01/75/04/434017504.db2.gz ZGRTZDRQUNOPCC-CABCVRRESA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc(N2CCCN(Cc3cnc(C)s3)CC2)cc1 ZINC000363373456 434031701 /nfs/dbraw/zinc/03/17/01/434031701.db2.gz QGLOALATPVSBSU-UHFFFAOYSA-N 0 3 317.458 3.172 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCc2ncccc2C)c1 ZINC000294937357 434153085 /nfs/dbraw/zinc/15/30/85/434153085.db2.gz GPSWSAGJWYUZEB-AWEZNQCLSA-N 0 3 300.402 3.388 20 10 DGCDHN Cc1ccc([C@@H](C)NCc2ccc(-n3ccnc3)nc2)c(O)c1C ZINC000363862773 434168275 /nfs/dbraw/zinc/16/82/75/434168275.db2.gz ZCTUTRCVNIHOTP-OAHLLOKOSA-N 0 3 322.412 3.441 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c([O-])c1C ZINC000363862773 434168285 /nfs/dbraw/zinc/16/82/85/434168285.db2.gz ZCTUTRCVNIHOTP-OAHLLOKOSA-N 0 3 322.412 3.441 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccccc1[O-] ZINC000295105754 434202695 /nfs/dbraw/zinc/20/26/95/434202695.db2.gz KZIZMQCHZODWBQ-RDJZCZTQSA-N 0 3 303.377 3.176 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CCCCO)c1[O-] ZINC000295121308 434215462 /nfs/dbraw/zinc/21/54/62/434215462.db2.gz WOTTXBRPWCUIHG-LLVKDONJSA-N 0 3 316.239 3.104 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCN(c3ccccc3)C1)CC2 ZINC000295989349 434465362 /nfs/dbraw/zinc/46/53/62/434465362.db2.gz NPYWSVLNKVUKAC-YJBOKZPZSA-N 0 3 308.425 3.496 20 10 DGCDHN Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296126444 434514400 /nfs/dbraw/zinc/51/44/00/434514400.db2.gz VOXURFMGPSPXPE-MRXNPFEDSA-N 0 3 307.397 3.327 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CC2 ZINC000296147116 434522636 /nfs/dbraw/zinc/52/26/36/434522636.db2.gz WOOLTXPRJMZWNM-INIZCTEOSA-N 0 3 309.413 3.165 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000367880213 434559795 /nfs/dbraw/zinc/55/97/95/434559795.db2.gz SSSINGMSCNZJGO-UHFFFAOYSA-N 0 3 309.772 3.218 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282954482 295167522 /nfs/dbraw/zinc/16/75/22/295167522.db2.gz ZITNCIJWLRFBKS-DYVFJYSZSA-N 0 3 305.418 3.401 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000370725248 434618594 /nfs/dbraw/zinc/61/85/94/434618594.db2.gz QKNRSEOBZYGNBZ-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000370725248 434618601 /nfs/dbraw/zinc/61/86/01/434618601.db2.gz QKNRSEOBZYGNBZ-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC3(CCOC3=O)CC2)cc1 ZINC000371334196 434673451 /nfs/dbraw/zinc/67/34/51/434673451.db2.gz XWOBHBYNFCJNFE-UHFFFAOYSA-N 0 3 316.445 3.062 20 10 DGCDHN COc1cccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])OC)c1 ZINC000527920593 435017461 /nfs/dbraw/zinc/01/74/61/435017461.db2.gz NYSBLEYQLMETAZ-FZKQIMNGSA-N 0 3 301.386 3.439 20 10 DGCDHN COc1ccc(O)c(CN[C@@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000529687523 435039538 /nfs/dbraw/zinc/03/95/38/435039538.db2.gz FVCCMFWTPITQFT-GOSISDBHSA-N 0 3 314.385 3.045 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000529687523 435039543 /nfs/dbraw/zinc/03/95/43/435039543.db2.gz FVCCMFWTPITQFT-GOSISDBHSA-N 0 3 314.385 3.045 20 10 DGCDHN C[C@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCCC1 ZINC000530109161 313321246 /nfs/dbraw/zinc/32/12/46/313321246.db2.gz WTVOKDWRFHKUPO-FZKQIMNGSA-N 0 3 319.445 3.466 20 10 DGCDHN C[C@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCCC1 ZINC000530109161 313321249 /nfs/dbraw/zinc/32/12/49/313321249.db2.gz WTVOKDWRFHKUPO-FZKQIMNGSA-N 0 3 319.445 3.466 20 10 DGCDHN COc1cccc([C@@H](C[NH2+]Cc2cc(C)c(C)cc2[O-])OC)c1 ZINC000527736452 337759870 /nfs/dbraw/zinc/75/98/70/337759870.db2.gz LWICRJSLWWMIJW-LJQANCHMSA-N 0 3 315.413 3.495 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCSC(F)(F)F)c1[O-] ZINC000184706177 533952537 /nfs/dbraw/zinc/95/25/37/533952537.db2.gz NZHDDYJLOGBXDZ-UHFFFAOYSA-N 0 3 315.744 3.397 20 10 DGCDHN CC(C)N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1=O ZINC000265262478 519687887 /nfs/dbraw/zinc/68/78/87/519687887.db2.gz ZJYIAFKTOBBTCW-GOSISDBHSA-N 0 3 324.424 3.158 20 10 DGCDHN CCCOc1ccc(C[NH2+]CCC2CC(OCC)C2)c([O-])c1 ZINC000188781736 520365352 /nfs/dbraw/zinc/36/53/52/520365352.db2.gz XOHWDVCDZBZLOX-UHFFFAOYSA-N 0 3 307.434 3.476 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000236820650 520365966 /nfs/dbraw/zinc/36/59/66/520365966.db2.gz JBESSKCRVFSINS-IBGZPJMESA-N 0 3 315.413 3.313 20 10 DGCDHN CCCOc1ccc(CN[C@H](CO)c2ccc(F)cc2)c(O)c1 ZINC000265220110 520375471 /nfs/dbraw/zinc/37/54/71/520375471.db2.gz GRFWZUYHIBTKKB-QGZVFWFLSA-N 0 3 319.376 3.143 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@H](CCO)c2ccccc2)c([O-])c1 ZINC000124440060 520375696 /nfs/dbraw/zinc/37/56/96/520375696.db2.gz APDAMFITJAOUME-GOSISDBHSA-N 0 3 315.413 3.394 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179938281 520662789 /nfs/dbraw/zinc/66/27/89/520662789.db2.gz MZJLKAXHTZRSFD-NVXWUHKLSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179938281 520662796 /nfs/dbraw/zinc/66/27/96/520662796.db2.gz MZJLKAXHTZRSFD-NVXWUHKLSA-N 0 3 318.461 3.217 20 10 DGCDHN CCN(CC)[C@H](C[NH2+]Cc1cc(OC)ccc1[O-])c1ccco1 ZINC000181256130 520866673 /nfs/dbraw/zinc/86/66/73/520866673.db2.gz AFELSSTZAVJPBQ-MRXNPFEDSA-N 0 3 318.417 3.167 20 10 DGCDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000188289677 521142326 /nfs/dbraw/zinc/14/23/26/521142326.db2.gz SZCXFRNCOYEUQU-SFHVURJKSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1[O-] ZINC000188275275 521336237 /nfs/dbraw/zinc/33/62/37/521336237.db2.gz LJDRQNRGHYDFOF-INIZCTEOSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1[O-] ZINC000189844519 521366020 /nfs/dbraw/zinc/36/60/20/521366020.db2.gz VFZOWEIMBDCGLN-LJQANCHMSA-N 0 3 315.413 3.178 20 10 DGCDHN CC[C@H](C[NH2+]Cc1cc(C)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227713497 522194367 /nfs/dbraw/zinc/19/43/67/522194367.db2.gz YAEGLEJFJWYGPB-CQSZACIVSA-N 0 3 308.422 3.094 20 10 DGCDHN CC[C@@H](C[NH2+]Cc1cc(C)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227713493 522548581 /nfs/dbraw/zinc/54/85/81/522548581.db2.gz YAEGLEJFJWYGPB-AWEZNQCLSA-N 0 3 308.422 3.094 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1[O-] ZINC000156780772 522724880 /nfs/dbraw/zinc/72/48/80/522724880.db2.gz NNRFVIFKOUESMJ-UKPHBRMFSA-N 0 3 307.459 3.488 20 10 DGCDHN CC[C@](C)(CCO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000182626535 523461288 /nfs/dbraw/zinc/46/12/88/523461288.db2.gz HUFUAPKUSRXFJA-CQSZACIVSA-N 0 3 316.239 3.104 20 10 DGCDHN Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000191603496 524466227 /nfs/dbraw/zinc/46/62/27/524466227.db2.gz GLYHVAAXLANYKJ-CJNGLKHVSA-N 0 3 303.377 3.094 20 10 DGCDHN Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000191603510 524470453 /nfs/dbraw/zinc/47/04/53/524470453.db2.gz GLYHVAAXLANYKJ-CZUORRHYSA-N 0 3 303.377 3.094 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000182324636 524762197 /nfs/dbraw/zinc/76/21/97/524762197.db2.gz VUIBCCZHEGMWLE-FZKQIMNGSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000187909862 524764650 /nfs/dbraw/zinc/76/46/50/524764650.db2.gz YKZUGNAXFRYVSM-AUUYWEPGSA-N 0 3 315.413 3.349 20 10 DGCDHN C[C@H](NC[C@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000268767387 525409633 /nfs/dbraw/zinc/40/96/33/525409633.db2.gz CLSCURWQLZSVMA-UGSOOPFHSA-N 0 3 302.393 3.276 20 10 DGCDHN C[C@@](O)(CNCc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000266133743 525777013 /nfs/dbraw/zinc/77/70/13/525777013.db2.gz DPKNWYOMCLCCCY-LJQANCHMSA-N 0 3 314.429 3.267 20 10 DGCDHN CC[C@@H](C)NC(=O)CCN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000178715045 529361728 /nfs/dbraw/zinc/36/17/28/529361728.db2.gz QHYZOBWHJOTJSM-HUUCEWRRSA-N 0 3 305.466 3.098 20 10 DGCDHN CCOc1cccc(CNCc2cc(C)cc(Cl)n2)c1O ZINC000281901686 535459807 /nfs/dbraw/zinc/45/98/07/535459807.db2.gz FPSUGWPWPUYILR-UHFFFAOYSA-N 0 3 306.793 3.438 20 10 DGCDHN COC[C@H](CN[C@@H](C)c1ccc(N2CCCCCC2)cc1)OC ZINC000272699688 536853928 /nfs/dbraw/zinc/85/39/28/536853928.db2.gz RTMVZLNDPAEKRP-LPHOPBHVSA-N 0 3 320.477 3.379 20 10 DGCDHN Cn1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1=O ZINC000731848460 574560211 /nfs/dbraw/zinc/56/02/11/574560211.db2.gz YLEUEDCRDKYIPH-UHFFFAOYSA-N 0 3 312.413 3.036 20 10 DGCDHN Cn1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1=O ZINC000731848460 574560213 /nfs/dbraw/zinc/56/02/13/574560213.db2.gz YLEUEDCRDKYIPH-UHFFFAOYSA-N 0 3 312.413 3.036 20 10 DGCDHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733806638 574639041 /nfs/dbraw/zinc/63/90/41/574639041.db2.gz GMTDNZZYXNRQRA-ZIAGYGMSSA-N 0 3 322.474 3.180 20 10 DGCDHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733806638 574639043 /nfs/dbraw/zinc/63/90/43/574639043.db2.gz GMTDNZZYXNRQRA-ZIAGYGMSSA-N 0 3 322.474 3.180 20 10 DGCDHN CCOc1ccc(C[NH2+][C@](C)(CO)C2CCCCC2)c([O-])c1 ZINC000740014066 574918312 /nfs/dbraw/zinc/91/83/12/574918312.db2.gz LXQIQIDZXMEONY-GOSISDBHSA-N 0 3 307.434 3.212 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC000729322417 575234243 /nfs/dbraw/zinc/23/42/43/575234243.db2.gz ZZLHPACIXMIZIS-GOSISDBHSA-N 0 3 317.477 3.023 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC000729322419 575234278 /nfs/dbraw/zinc/23/42/78/575234278.db2.gz ZZLHPACIXMIZIS-SFHVURJKSA-N 0 3 317.477 3.023 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H](COC)Cc2ccccc2)c1[O-] ZINC000747100909 575496328 /nfs/dbraw/zinc/49/63/28/575496328.db2.gz XZVHDKYOOQTTCG-KRWDZBQOSA-N 0 3 315.413 3.138 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000749129648 575628896 /nfs/dbraw/zinc/62/88/96/575628896.db2.gz RZAMYQNJXUJBMZ-WBMJQRKESA-N 0 3 308.853 3.398 20 10 DGCDHN Cn1cc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000725848135 575929710 /nfs/dbraw/zinc/92/97/10/575929710.db2.gz VZHNIDZTLRQSJB-UHFFFAOYSA-N 0 3 307.397 3.125 20 10 DGCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000725847999 575929717 /nfs/dbraw/zinc/92/97/17/575929717.db2.gz MDYHDFJGQRTMMR-ZDUSSCGKSA-N 0 3 312.369 3.200 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)COc2ccccc2)c1 ZINC000725849291 575930654 /nfs/dbraw/zinc/93/06/54/575930654.db2.gz JXNDPJRMSOEEPD-AWEZNQCLSA-N 0 3 301.386 3.348 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)COc2ccccc2)c1 ZINC000725849292 575930658 /nfs/dbraw/zinc/93/06/58/575930658.db2.gz JXNDPJRMSOEEPD-CQSZACIVSA-N 0 3 301.386 3.348 20 10 DGCDHN COc1ccccc1N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000725850012 575931545 /nfs/dbraw/zinc/93/15/45/575931545.db2.gz CPUITDFKORRZOX-UHFFFAOYSA-N 0 3 312.413 3.159 20 10 DGCDHN COCC(C)(C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727471569 576127637 /nfs/dbraw/zinc/12/76/37/576127637.db2.gz HFAVKNMFCIIUSO-UHFFFAOYSA-N 0 3 321.421 3.100 20 10 DGCDHN CC(=O)Nc1cccc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000727645189 576136028 /nfs/dbraw/zinc/13/60/28/576136028.db2.gz SOXKTNXAEGLQTI-UHFFFAOYSA-N 0 3 323.440 3.317 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H](C)COc2ccccc2)c1[O-] ZINC000728782305 576201766 /nfs/dbraw/zinc/20/17/66/576201766.db2.gz JEQAXQSGOQLLAZ-CQSZACIVSA-N 0 3 301.386 3.348 20 10 DGCDHN COc1cc(CN2CC3(CCCC3)OC[C@H]2C)c(O)cc1C ZINC000853576621 620711442 /nfs/dbraw/zinc/71/14/42/620711442.db2.gz CUIAWJUFWKDPQU-CQSZACIVSA-N 0 3 305.418 3.243 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4COC[C@H]4C3)c2c1 ZINC000853586650 620712846 /nfs/dbraw/zinc/71/28/46/620712846.db2.gz VTJKDPBAAZVXIK-LSDHHAIUSA-N 0 3 313.397 3.022 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4COC[C@H]4C3)c2c1 ZINC000853586650 620712847 /nfs/dbraw/zinc/71/28/47/620712847.db2.gz VTJKDPBAAZVXIK-LSDHHAIUSA-N 0 3 313.397 3.022 20 10 DGCDHN CC[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccccc1[O-] ZINC000154891379 620735964 /nfs/dbraw/zinc/73/59/64/620735964.db2.gz WHOASYBNOZMFKL-MRXNPFEDSA-N 0 3 304.434 3.226 20 10 DGCDHN COc1ccc(CN2CCC[C@H]2c2ccc[nH]2)c(O)c1OC ZINC000891404784 617793417 /nfs/dbraw/zinc/79/34/17/617793417.db2.gz OAKKMWHOTTZMHQ-AWEZNQCLSA-N 0 3 302.374 3.075 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2c1c(F)ccc2[O-] ZINC000840886657 618129268 /nfs/dbraw/zinc/12/92/68/618129268.db2.gz KQHXSBSUPMVGRN-DOKDZLDGSA-N 0 3 315.335 3.218 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017199 620785730 /nfs/dbraw/zinc/78/57/30/620785730.db2.gz NYMJNZBFCOPNNC-CHWSQXEVSA-N 0 3 315.244 3.415 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017199 620785734 /nfs/dbraw/zinc/78/57/34/620785734.db2.gz NYMJNZBFCOPNNC-CHWSQXEVSA-N 0 3 315.244 3.415 20 10 DGCDHN COc1c(C)cnc(CN(C)Cc2cc(F)cc(F)c2[O-])c1C ZINC000894450524 618337559 /nfs/dbraw/zinc/33/75/59/618337559.db2.gz KCNHZPVVLCPUEP-UHFFFAOYSA-N 0 3 322.355 3.323 20 10 DGCDHN COc1c(C)cnc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])c1C ZINC000894450524 618337568 /nfs/dbraw/zinc/33/75/68/618337568.db2.gz KCNHZPVVLCPUEP-UHFFFAOYSA-N 0 3 322.355 3.323 20 10 DGCDHN COc1c(C)cnc(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])c1C ZINC000894450524 618337575 /nfs/dbraw/zinc/33/75/75/618337575.db2.gz KCNHZPVVLCPUEP-UHFFFAOYSA-N 0 3 322.355 3.323 20 10 DGCDHN COC(=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000894451726 618338429 /nfs/dbraw/zinc/33/84/29/618338429.db2.gz HEBHCAPHSJBLPS-UHFFFAOYSA-N 0 3 311.381 3.088 20 10 DGCDHN CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc([O-])cs1 ZINC000854455472 620806139 /nfs/dbraw/zinc/80/61/39/620806139.db2.gz UCOABTRDWWTMKR-UHFFFAOYSA-N 0 3 310.463 3.180 20 10 DGCDHN C[C@@H](NC[C@@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 ZINC000925855846 618647153 /nfs/dbraw/zinc/64/71/53/618647153.db2.gz IFDXQPUQLIDSTE-IUODEOHRSA-N 0 3 315.383 3.088 20 10 DGCDHN COc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)c([O-])c1 ZINC000894186477 618725861 /nfs/dbraw/zinc/72/58/61/618725861.db2.gz XEKAFJHRQHXCHA-BBRMVZONSA-N 0 3 313.397 3.130 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)c([O-])c1 ZINC000894185235 618725950 /nfs/dbraw/zinc/72/59/50/618725950.db2.gz KKPMYPOEEJCEOH-RDJZCZTQSA-N 0 3 319.445 3.476 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)c([O-])c1 ZINC000894185233 618726130 /nfs/dbraw/zinc/72/61/30/618726130.db2.gz KKPMYPOEEJCEOH-DOTOQJQBSA-N 0 3 319.445 3.476 20 10 DGCDHN Cc1noc2ncc(CNCc3ccc4c(c3)CCCN4C)cc12 ZINC000894209212 618730657 /nfs/dbraw/zinc/73/06/57/618730657.db2.gz QVVZMPODXOGPQZ-UHFFFAOYSA-N 0 3 322.412 3.203 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896227019 618888412 /nfs/dbraw/zinc/88/84/12/618888412.db2.gz JYOFNLYMNNIZNU-CYBMUJFWSA-N 0 3 319.298 3.267 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896227019 618888414 /nfs/dbraw/zinc/88/84/14/618888414.db2.gz JYOFNLYMNNIZNU-CYBMUJFWSA-N 0 3 319.298 3.267 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@H](c3noc(C)n3)C2)cc1 ZINC000896239805 618892138 /nfs/dbraw/zinc/89/21/38/618892138.db2.gz LYJKBYYCVKGRMQ-MRXNPFEDSA-N 0 3 314.433 3.214 20 10 DGCDHN CO[C@]12CCC[C@@]1(NC/C=C/c1ccc(N(C)C)cc1)CCO2 ZINC000896411449 618909104 /nfs/dbraw/zinc/90/91/04/618909104.db2.gz AASWOMNJEKSAMK-MPTZACGUSA-N 0 3 316.445 3.041 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896810595 618964315 /nfs/dbraw/zinc/96/43/15/618964315.db2.gz WVYJBYRELMMVDV-RISCZKNCSA-N 0 3 303.324 3.290 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC000896824012 618965503 /nfs/dbraw/zinc/96/55/03/618965503.db2.gz RAJVPERWBGJDOL-JSGCOSHPSA-N 0 3 303.324 3.290 20 10 DGCDHN CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000897517958 619143800 /nfs/dbraw/zinc/14/38/00/619143800.db2.gz FRWBIQNGBYYVLW-AWEZNQCLSA-N 0 3 305.340 3.274 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](CCO)C2CCCC2)c1[O-] ZINC000897885442 619191656 /nfs/dbraw/zinc/19/16/56/619191656.db2.gz KIBAVXSDWWJUTN-CQSZACIVSA-N 0 3 313.825 3.085 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2cccnc2)c1[O-] ZINC000897969250 619200616 /nfs/dbraw/zinc/20/06/16/619200616.db2.gz HRGQDNUHCUFWNC-LLVKDONJSA-N 0 3 306.793 3.170 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC000926914756 619248272 /nfs/dbraw/zinc/24/82/72/619248272.db2.gz JAZJYSNJDPWIOL-YRGRVCCFSA-N 0 3 315.335 3.469 20 10 DGCDHN CC[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccccc1[O-] ZINC000926966217 619254016 /nfs/dbraw/zinc/25/40/16/619254016.db2.gz ZFLKBVJPDDOCPS-JSGCOSHPSA-N 0 3 304.356 3.316 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C/C=C/Cl)c1[O-] ZINC000898435582 619275820 /nfs/dbraw/zinc/27/58/20/619275820.db2.gz JMFBVRYWOSWKJZ-NSCUHMNNSA-N 0 3 306.587 3.005 20 10 DGCDHN C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902470394 619642330 /nfs/dbraw/zinc/64/23/30/619642330.db2.gz WMMMXWPBOXYUQX-LDDIKCJXSA-N 0 3 301.217 3.243 20 10 DGCDHN CCO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000902527131 619649330 /nfs/dbraw/zinc/64/93/30/619649330.db2.gz AKCVDQSFCNFCGD-HNNXBMFYSA-N 0 3 301.386 3.165 20 10 DGCDHN CCO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000902527131 619649331 /nfs/dbraw/zinc/64/93/31/619649331.db2.gz AKCVDQSFCNFCGD-HNNXBMFYSA-N 0 3 301.386 3.165 20 10 DGCDHN CCN1CCC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1=O ZINC000903389781 619771039 /nfs/dbraw/zinc/77/10/39/619771039.db2.gz XFUPDQGOGNNIQX-RISCZKNCSA-N 0 3 310.825 3.016 20 10 DGCDHN C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1 ZINC000903447833 619778304 /nfs/dbraw/zinc/77/83/04/619778304.db2.gz CWYJLXUHWLVXBY-DYVFJYSZSA-N 0 3 318.490 3.163 20 10 DGCDHN C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1 ZINC000903447835 619778337 /nfs/dbraw/zinc/77/83/37/619778337.db2.gz CWYJLXUHWLVXBY-SUMWQHHRSA-N 0 3 318.490 3.163 20 10 DGCDHN CCN(CC)c1ccc(CNCc2c3c(nn2C)CCC3)cc1 ZINC000921552362 620907346 /nfs/dbraw/zinc/90/73/46/620907346.db2.gz DCRDEXHRFAOYRD-UHFFFAOYSA-N 0 3 312.461 3.045 20 10 DGCDHN CCn1ncc2c1CCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921794554 620950520 /nfs/dbraw/zinc/95/05/20/620950520.db2.gz VTQZUDRBMGIWSG-QGZVFWFLSA-N 0 3 311.429 3.395 20 10 DGCDHN Cc1ccsc1[C@H](CO)NCc1ccc2c(c1)CCCO2 ZINC000921817214 620953887 /nfs/dbraw/zinc/95/38/87/620953887.db2.gz JSPJQVNPVHWZKS-HNNXBMFYSA-N 0 3 303.427 3.205 20 10 DGCDHN CCOc1cncc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000856767847 621017941 /nfs/dbraw/zinc/01/79/41/621017941.db2.gz FHQGJHKFSJSIQI-UHFFFAOYSA-N 0 3 311.429 3.153 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@H](C)[C@@H](CO)C2)cc1F ZINC000857061896 621053111 /nfs/dbraw/zinc/05/31/11/621053111.db2.gz WIQPMBMSOPGPBK-GDBMZVCRSA-N 0 3 308.441 3.122 20 10 DGCDHN c1ccc([C@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)nc1 ZINC000922585705 621061763 /nfs/dbraw/zinc/06/17/63/621061763.db2.gz NTRDAIWANAYFKS-HXUWFJFHSA-N 0 3 323.440 3.159 20 10 DGCDHN CN(C)Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547436 621095026 /nfs/dbraw/zinc/09/50/26/621095026.db2.gz DGIRYXHODRMVTF-UHFFFAOYSA-N 0 3 318.804 3.037 20 10 DGCDHN CC(C)(C)c1cc(CNCc2cn[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000858197380 621163947 /nfs/dbraw/zinc/16/39/47/621163947.db2.gz CEPAFMOMNXWNBC-UHFFFAOYSA-N 0 3 316.449 3.395 20 10 DGCDHN CC(C)(C)c1cc(CNCc2c[nH]nn2)c(O)c(C(C)(C)C)c1 ZINC000858197380 621163948 /nfs/dbraw/zinc/16/39/48/621163948.db2.gz CEPAFMOMNXWNBC-UHFFFAOYSA-N 0 3 316.449 3.395 20 10 DGCDHN C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000858448561 621192528 /nfs/dbraw/zinc/19/25/28/621192528.db2.gz CKKAYOBUKAKWDY-ZANVPECISA-N 0 3 317.286 3.182 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(C)cc1[O-] ZINC000858479362 621196175 /nfs/dbraw/zinc/19/61/75/621196175.db2.gz PQYWSQBNPANRNB-ZFWWWQNUSA-N 0 3 312.404 3.471 20 10 DGCDHN CCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000839192027 621347073 /nfs/dbraw/zinc/34/70/73/621347073.db2.gz GEVGYHZQQCUVQR-ZDUSSCGKSA-N 0 3 323.433 3.201 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000839192027 621347076 /nfs/dbraw/zinc/34/70/76/621347076.db2.gz GEVGYHZQQCUVQR-ZDUSSCGKSA-N 0 3 323.433 3.201 20 10 DGCDHN CCOc1ccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c(O)c1 ZINC000752923785 621416073 /nfs/dbraw/zinc/41/60/73/621416073.db2.gz GSQOIAUURAILSG-RYUDHWBXSA-N 0 3 318.421 3.273 20 10 DGCDHN CCOc1ccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c(O)c1 ZINC000752923784 621416222 /nfs/dbraw/zinc/41/62/22/621416222.db2.gz GSQOIAUURAILSG-NWDGAFQWSA-N 0 3 318.421 3.273 20 10 DGCDHN CO[C@@]1(C)CCCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862351970 621577095 /nfs/dbraw/zinc/57/70/95/621577095.db2.gz XJSIEBZFUUVNLU-KRWDZBQOSA-N 0 3 312.404 3.422 20 10 DGCDHN CN(C)c1cc(F)c(CNCC[C@@H](O)c2ccccc2)cc1F ZINC000862367890 621580257 /nfs/dbraw/zinc/58/02/57/621580257.db2.gz YPWXGSUPHBRBLF-GOSISDBHSA-N 0 3 320.383 3.244 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC000862540492 621598833 /nfs/dbraw/zinc/59/88/33/621598833.db2.gz GRPTYRXHMFWXPW-OAHLLOKOSA-N 0 3 313.397 3.486 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC000862540492 621598835 /nfs/dbraw/zinc/59/88/35/621598835.db2.gz GRPTYRXHMFWXPW-OAHLLOKOSA-N 0 3 313.397 3.486 20 10 DGCDHN COCC(C)(C)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000756077726 621614020 /nfs/dbraw/zinc/61/40/20/621614020.db2.gz SOJNUSJMWMXHKP-MRXNPFEDSA-N 0 3 307.434 3.046 20 10 DGCDHN COCC(C)(C)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000756077726 621614022 /nfs/dbraw/zinc/61/40/22/621614022.db2.gz SOJNUSJMWMXHKP-MRXNPFEDSA-N 0 3 307.434 3.046 20 10 DGCDHN C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1[O-] ZINC000756342806 621629310 /nfs/dbraw/zinc/62/93/10/621629310.db2.gz LDMAQFXVIHADTD-YOEHRIQHSA-N 0 3 316.420 3.355 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)c2c1c(F)ccc2[O-] ZINC000756368883 621631923 /nfs/dbraw/zinc/63/19/23/621631923.db2.gz RJZKQXXINGVUTA-IAQYHMDHSA-N 0 3 304.409 3.296 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)c2c1c(F)ccc2[O-] ZINC000756403757 621636090 /nfs/dbraw/zinc/63/60/90/621636090.db2.gz QYQKQIFGOPJZOY-LERXQTSPSA-N 0 3 315.392 3.480 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)c2c1c(F)ccc2[O-] ZINC000756431625 621638232 /nfs/dbraw/zinc/63/82/32/621638232.db2.gz OHSBVKYHPKXZSW-UNQGMJICSA-N 0 3 304.409 3.296 20 10 DGCDHN COCCOc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000756429331 621638403 /nfs/dbraw/zinc/63/84/03/621638403.db2.gz GLIJBEJJULKYJK-ZDUSSCGKSA-N 0 3 319.376 3.407 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCOc2cccnc2)c2c1c(F)ccc2[O-] ZINC000756570959 621650341 /nfs/dbraw/zinc/65/03/41/621650341.db2.gz GWJSSXYAOHXGCL-SMDDNHRTSA-N 0 3 302.349 3.143 20 10 DGCDHN COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756638643 621655158 /nfs/dbraw/zinc/65/51/58/621655158.db2.gz VKEOMNGQKBFDFL-XJKSGUPXSA-N 0 3 303.377 3.440 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756653823 621656071 /nfs/dbraw/zinc/65/60/71/621656071.db2.gz HDTJTWQPBFDWFW-GLQYFDAESA-N 0 3 301.361 3.403 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(F)ccc1[O-] ZINC000756702573 621658986 /nfs/dbraw/zinc/65/89/86/621658986.db2.gz ARHLFMUGKLYKRB-LLVKDONJSA-N 0 3 303.333 3.153 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCCOC2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756734786 621661225 /nfs/dbraw/zinc/66/12/25/621661225.db2.gz ZNWOCXMHIKFWDK-DOMZBBRYSA-N 0 3 323.408 3.255 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCOc2ncccc2F)c2c1c(F)ccc2[O-] ZINC000756761892 621662989 /nfs/dbraw/zinc/66/29/89/621662989.db2.gz RQZOUXDYTWPEIJ-MFKMUULPSA-N 0 3 320.339 3.282 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c([O-])c1 ZINC000756765784 621663560 /nfs/dbraw/zinc/66/35/60/621663560.db2.gz RBPUWQBWIMVGIV-GJZGRUSLSA-N 0 3 305.418 3.079 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccccc1[O-] ZINC000839540999 621693131 /nfs/dbraw/zinc/69/31/31/621693131.db2.gz QDILYQPEJPKNPS-RDJZCZTQSA-N 0 3 310.397 3.386 20 10 DGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCOCC3(CCC3)C2)c1 ZINC000758975081 621815898 /nfs/dbraw/zinc/81/58/98/621815898.db2.gz YZISOOUSJYVLGX-UHFFFAOYSA-N 0 3 319.445 3.398 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1F ZINC000760448791 621941441 /nfs/dbraw/zinc/94/14/41/621941441.db2.gz ABOVJPULMKJTQL-CQSZACIVSA-N 0 3 322.346 3.075 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000865653594 621972054 /nfs/dbraw/zinc/97/20/54/621972054.db2.gz HLPCIWNYYWDPKV-HNNXBMFYSA-N 0 3 309.768 3.398 20 10 DGCDHN C[C@H](NCc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)(F)F ZINC000865712214 621981692 /nfs/dbraw/zinc/98/16/92/621981692.db2.gz YADMNMJLJUHEQE-WFASDCNBSA-N 0 3 316.367 3.078 20 10 DGCDHN CN(C)Cc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000866100402 622045803 /nfs/dbraw/zinc/04/58/03/622045803.db2.gz UCADQOOLRHDGOX-UHFFFAOYSA-N 0 3 311.385 3.002 20 10 DGCDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000765794505 622287893 /nfs/dbraw/zinc/28/78/93/622287893.db2.gz CTLACDVCANISMH-ZWKOTPCHSA-N 0 3 324.424 3.064 20 10 DGCDHN C[C@H](N[C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765834806 622290203 /nfs/dbraw/zinc/29/02/03/622290203.db2.gz HTKGCIFPXDUGMX-KBPBESRZSA-N 0 3 324.852 3.006 20 10 DGCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c([O-])cccc1OC ZINC000768134752 622440964 /nfs/dbraw/zinc/44/09/64/622440964.db2.gz UFXLHOZVYTUYQZ-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c([O-])cccc1OC ZINC000768134752 622440966 /nfs/dbraw/zinc/44/09/66/622440966.db2.gz UFXLHOZVYTUYQZ-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CCN(CCOC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768252592 622447472 /nfs/dbraw/zinc/44/74/72/622447472.db2.gz UVLFXIXHJOAYOZ-UHFFFAOYSA-N 0 3 321.421 3.053 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000768251565 622447844 /nfs/dbraw/zinc/44/78/44/622447844.db2.gz OTXQXRLZTWACLL-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN CCc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768437966 622455735 /nfs/dbraw/zinc/45/57/35/622455735.db2.gz LOHDTICFSOIXGA-SFHVURJKSA-N 0 3 313.397 3.012 20 10 DGCDHN CCc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768437966 622455736 /nfs/dbraw/zinc/45/57/36/622455736.db2.gz LOHDTICFSOIXGA-SFHVURJKSA-N 0 3 313.397 3.012 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccs1)[C@@H](O)CO2 ZINC000768442096 622455956 /nfs/dbraw/zinc/45/59/56/622455956.db2.gz OUXNDXDYGKQGSR-HIFRSBDPSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccs1)[C@@H](O)CO2 ZINC000768442096 622455958 /nfs/dbraw/zinc/45/59/58/622455958.db2.gz OUXNDXDYGKQGSR-HIFRSBDPSA-N 0 3 317.410 3.217 20 10 DGCDHN C[C@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccccc1 ZINC000768449042 622456946 /nfs/dbraw/zinc/45/69/46/622456946.db2.gz DARQYBBEQLIJHF-FZKQIMNGSA-N 0 3 313.397 3.054 20 10 DGCDHN C[C@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccccc1 ZINC000768449042 622456948 /nfs/dbraw/zinc/45/69/48/622456948.db2.gz DARQYBBEQLIJHF-FZKQIMNGSA-N 0 3 313.397 3.054 20 10 DGCDHN CC(C)CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462481 622457922 /nfs/dbraw/zinc/45/79/22/622457922.db2.gz LXBGOYKFDNJPAH-PBHICJAKSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)CC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462481 622457925 /nfs/dbraw/zinc/45/79/25/622457925.db2.gz LXBGOYKFDNJPAH-PBHICJAKSA-N 0 3 305.418 3.219 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768465607 622458118 /nfs/dbraw/zinc/45/81/18/622458118.db2.gz IVPKJZBORJKJBV-LLSQANQASA-N 0 3 311.381 3.011 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768465607 622458121 /nfs/dbraw/zinc/45/81/21/622458121.db2.gz IVPKJZBORJKJBV-LLSQANQASA-N 0 3 311.381 3.011 20 10 DGCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768465607 622458123 /nfs/dbraw/zinc/45/81/23/622458123.db2.gz IVPKJZBORJKJBV-LLSQANQASA-N 0 3 311.381 3.011 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1-n1cncn1 ZINC000769200946 622507323 /nfs/dbraw/zinc/50/73/23/622507323.db2.gz JWYRDJQEUJSXRC-UHFFFAOYSA-N 0 3 322.412 3.385 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1-n1cncn1 ZINC000769200946 622507324 /nfs/dbraw/zinc/50/73/24/622507324.db2.gz JWYRDJQEUJSXRC-UHFFFAOYSA-N 0 3 322.412 3.385 20 10 DGCDHN COc1ccccc1C[C@H](C)[N@H+](C)Cc1c([O-])cccc1OC ZINC000769326909 622518290 /nfs/dbraw/zinc/51/82/90/622518290.db2.gz QTNFMZMHVPFYKC-AWEZNQCLSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769326909 622518293 /nfs/dbraw/zinc/51/82/93/622518293.db2.gz QTNFMZMHVPFYKC-AWEZNQCLSA-N 0 3 315.413 3.472 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CCN(C)c2ccccc2)c([O-])c1 ZINC000769381665 622522886 /nfs/dbraw/zinc/52/28/86/622522886.db2.gz QZCBUKQESCUDFN-UHFFFAOYSA-N 0 3 314.429 3.359 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CCN(C)c2ccccc2)c([O-])c1 ZINC000769381665 622522889 /nfs/dbraw/zinc/52/28/89/622522889.db2.gz QZCBUKQESCUDFN-UHFFFAOYSA-N 0 3 314.429 3.359 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000769390162 622523903 /nfs/dbraw/zinc/52/39/03/622523903.db2.gz RBBATBHRJUIQIG-CYBMUJFWSA-N 0 3 301.386 3.169 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000769390162 622523906 /nfs/dbraw/zinc/52/39/06/622523906.db2.gz RBBATBHRJUIQIG-CYBMUJFWSA-N 0 3 301.386 3.169 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)c1[O-] ZINC000769472910 622531371 /nfs/dbraw/zinc/53/13/71/622531371.db2.gz KRVJSMPDFOSTOR-HZPDHXFCSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)c1[O-] ZINC000769472910 622531372 /nfs/dbraw/zinc/53/13/72/622531372.db2.gz KRVJSMPDFOSTOR-HZPDHXFCSA-N 0 3 307.434 3.426 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@H]2CC(=O)OC)cc1F ZINC000769485187 622532945 /nfs/dbraw/zinc/53/29/45/622532945.db2.gz ZGJRCSGHQRRRAY-HNNXBMFYSA-N 0 3 322.424 3.199 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000769504215 622535037 /nfs/dbraw/zinc/53/50/37/622535037.db2.gz QCSXFGGWJJUGSV-INIZCTEOSA-N 0 3 312.413 3.477 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000769504215 622535039 /nfs/dbraw/zinc/53/50/39/622535039.db2.gz QCSXFGGWJJUGSV-INIZCTEOSA-N 0 3 312.413 3.477 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c([O-])c1 ZINC000769519594 622537084 /nfs/dbraw/zinc/53/70/84/622537084.db2.gz TVFQIQODXAGOLX-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c([O-])c1 ZINC000769519594 622537090 /nfs/dbraw/zinc/53/70/90/622537090.db2.gz TVFQIQODXAGOLX-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(O)c1CN(C)CCOCc1ccccc1 ZINC000770307481 622619691 /nfs/dbraw/zinc/61/96/91/622619691.db2.gz YFOFJQXOSPUTMP-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c([O-])c1 ZINC000770305956 622619817 /nfs/dbraw/zinc/61/98/17/622619817.db2.gz WYFOHUIIQPRBJT-QGZVFWFLSA-N 0 3 315.417 3.170 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c([O-])c1 ZINC000770305956 622619819 /nfs/dbraw/zinc/61/98/19/622619819.db2.gz WYFOHUIIQPRBJT-QGZVFWFLSA-N 0 3 315.417 3.170 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c([O-])c1 ZINC000770319680 622621442 /nfs/dbraw/zinc/62/14/42/622621442.db2.gz AMDIVHWPQDWJTC-RHSMWYFYSA-N 0 3 315.417 3.071 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c([O-])c1 ZINC000770319680 622621448 /nfs/dbraw/zinc/62/14/48/622621448.db2.gz AMDIVHWPQDWJTC-RHSMWYFYSA-N 0 3 315.417 3.071 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000770510157 622640570 /nfs/dbraw/zinc/64/05/70/622640570.db2.gz ZPFZQIWZHNSDJD-LJQANCHMSA-N 0 3 310.441 3.489 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000770510157 622640574 /nfs/dbraw/zinc/64/05/74/622640574.db2.gz ZPFZQIWZHNSDJD-LJQANCHMSA-N 0 3 310.441 3.489 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c([O-])c1 ZINC000872108807 622811113 /nfs/dbraw/zinc/81/11/13/622811113.db2.gz DTDPDGJTASNEPG-LLVKDONJSA-N 0 3 313.323 3.267 20 10 DGCDHN CCCOc1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1C ZINC000873131262 623043607 /nfs/dbraw/zinc/04/36/07/623043607.db2.gz QSIPGTGXSLEOBS-IAGOWNOFSA-N 0 3 316.445 3.027 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccccc1[O-] ZINC000775491007 623279755 /nfs/dbraw/zinc/27/97/55/623279755.db2.gz XPTPDACUPFMNOM-WMLDXEAASA-N 0 3 319.376 3.012 20 10 DGCDHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000775580873 623293670 /nfs/dbraw/zinc/29/36/70/623293670.db2.gz MZWOIHPGDKBKAJ-KFWWJZLASA-N 0 3 320.433 3.218 20 10 DGCDHN Cn1ccnc1[C@H](NCCCSc1nccs1)C1CC1 ZINC000775635178 623299419 /nfs/dbraw/zinc/29/94/19/623299419.db2.gz UWXDQESWNYIHEK-GFCCVEGCSA-N 0 3 308.476 3.100 20 10 DGCDHN C[C@@H](NCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775829944 623338215 /nfs/dbraw/zinc/33/82/15/623338215.db2.gz BEMNUBYAXSGBMQ-OWCLPIDISA-N 0 3 317.477 3.193 20 10 DGCDHN COC(=O)c1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833610 623339257 /nfs/dbraw/zinc/33/92/57/623339257.db2.gz FJSHAHKLYOEIOD-AWEZNQCLSA-N 0 3 312.413 3.390 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c([O-])c1 ZINC000776948543 623478702 /nfs/dbraw/zinc/47/87/02/623478702.db2.gz FKSXFNCWOLXYMZ-DOTOQJQBSA-N 0 3 307.434 3.474 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1[O-] ZINC000777440478 623526208 /nfs/dbraw/zinc/52/62/08/623526208.db2.gz XKURIJNLYJGKSB-MRXNPFEDSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1[O-] ZINC000777440478 623526213 /nfs/dbraw/zinc/52/62/13/623526213.db2.gz XKURIJNLYJGKSB-MRXNPFEDSA-N 0 3 305.418 3.182 20 10 DGCDHN Cc1cccc(O)c1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000876571198 623647379 /nfs/dbraw/zinc/64/73/79/623647379.db2.gz HOSFSJHGSOUIQL-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000876894214 623738379 /nfs/dbraw/zinc/73/83/79/623738379.db2.gz MHEPTSWAEHKADJ-UHFFFAOYSA-N 0 3 310.441 3.455 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000876949506 623751958 /nfs/dbraw/zinc/75/19/58/623751958.db2.gz SDWHLPHLJZCPSW-QGZVFWFLSA-N 0 3 302.393 3.232 20 10 DGCDHN Cc1ccc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c([O-])c1 ZINC000876957343 623754992 /nfs/dbraw/zinc/75/49/92/623754992.db2.gz XXKDKIZEIITARI-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN COc1ccc(CC[NH2+]Cc2ccc(C)cc2[O-])c(OC)c1 ZINC000876989509 623761444 /nfs/dbraw/zinc/76/14/44/623761444.db2.gz WHCTXVXYRHGEKI-UHFFFAOYSA-N 0 3 301.386 3.050 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000877059324 623778624 /nfs/dbraw/zinc/77/86/24/623778624.db2.gz URWYMZIZOJUAHV-HNNXBMFYSA-N 0 3 320.433 3.094 20 10 DGCDHN Cc1ccc(CNCc2cccnc2OCC(F)F)c(O)c1 ZINC000877122845 623796121 /nfs/dbraw/zinc/79/61/21/623796121.db2.gz ASSPIHQBABBQAJ-UHFFFAOYSA-N 0 3 308.328 3.029 20 10 DGCDHN COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877175044 623818494 /nfs/dbraw/zinc/81/84/94/623818494.db2.gz XFOIXEQUCBVPJL-CQSZACIVSA-N 0 3 305.418 3.112 20 10 DGCDHN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877175044 623818503 /nfs/dbraw/zinc/81/85/03/623818503.db2.gz XFOIXEQUCBVPJL-CQSZACIVSA-N 0 3 305.418 3.112 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c([O-])c1 ZINC000877375005 623861545 /nfs/dbraw/zinc/86/15/45/623861545.db2.gz QVNJYYPPVKDBCT-QGZVFWFLSA-N 0 3 305.805 3.351 20 10 DGCDHN CCOc1cc(F)cc(C[NH2+]Cc2ccc(OC)cc2[O-])c1 ZINC000877493029 623910291 /nfs/dbraw/zinc/91/02/91/623910291.db2.gz BKAHZQJNVHFMHJ-UHFFFAOYSA-N 0 3 305.349 3.228 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000877494737 623910996 /nfs/dbraw/zinc/91/09/96/623910996.db2.gz SMVMNZPHRFKSGF-INIZCTEOSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000877494737 623910999 /nfs/dbraw/zinc/91/09/99/623910999.db2.gz SMVMNZPHRFKSGF-INIZCTEOSA-N 0 3 324.424 3.186 20 10 DGCDHN CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000877494096 623911010 /nfs/dbraw/zinc/91/10/10/623911010.db2.gz SNIPQBOFNIDZIW-QKVFXAPYSA-N 0 3 315.350 3.213 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000877517034 623919916 /nfs/dbraw/zinc/91/99/16/623919916.db2.gz KVUQEBVSWBFPKS-UHFFFAOYSA-N 0 3 323.396 3.425 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000877517034 623919917 /nfs/dbraw/zinc/91/99/17/623919917.db2.gz KVUQEBVSWBFPKS-UHFFFAOYSA-N 0 3 323.396 3.425 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000877567265 623944979 /nfs/dbraw/zinc/94/49/79/623944979.db2.gz HZGJJHKPAUTRNM-SJORKVTESA-N 0 3 301.430 3.482 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000877567265 623944984 /nfs/dbraw/zinc/94/49/84/623944984.db2.gz HZGJJHKPAUTRNM-SJORKVTESA-N 0 3 301.430 3.482 20 10 DGCDHN COc1ccc(N2CC[C@H]([NH2+]Cc3c(C)cccc3[O-])C2)cc1 ZINC000877620731 623965759 /nfs/dbraw/zinc/96/57/59/623965759.db2.gz MMTVNPMXMCUONC-HNNXBMFYSA-N 0 3 312.413 3.078 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000877641481 623974483 /nfs/dbraw/zinc/97/44/83/623974483.db2.gz VSBBVEGHGHZQAQ-ZDUSSCGKSA-N 0 3 308.422 3.046 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672647 623986775 /nfs/dbraw/zinc/98/67/75/623986775.db2.gz JOWUOEWHJZDJLD-SJORKVTESA-N 0 3 301.361 3.229 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672647 623986776 /nfs/dbraw/zinc/98/67/76/623986776.db2.gz JOWUOEWHJZDJLD-SJORKVTESA-N 0 3 301.361 3.229 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000877675450 623988269 /nfs/dbraw/zinc/98/82/69/623988269.db2.gz ZPLLJCHZKKMDDW-UHFFFAOYSA-N 0 3 306.406 3.443 20 10 DGCDHN CCc1cccc(CN2CCc3cccc(NC(C)=O)c3C2)c1O ZINC000877680939 623989452 /nfs/dbraw/zinc/98/94/52/623989452.db2.gz BKQXNYMGFCWMAZ-UHFFFAOYSA-N 0 3 324.424 3.471 20 10 DGCDHN COc1cc(O)c(CN[C@@H](C)c2cnc(C)s2)cc1OC ZINC000877684845 623991539 /nfs/dbraw/zinc/99/15/39/623991539.db2.gz AKRVMVRNCBGBNW-VIFPVBQESA-N 0 3 308.403 3.025 20 10 DGCDHN C[C@@H]([NH2+]CC1(CNC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000877755593 624022098 /nfs/dbraw/zinc/02/20/98/624022098.db2.gz HORXHBBDHZAFGU-CYBMUJFWSA-N 0 3 320.433 3.348 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@H]1C ZINC000877757055 624023396 /nfs/dbraw/zinc/02/33/96/624023396.db2.gz CZOWFVNGMCHQJQ-LXTVHRRPSA-N 0 3 305.418 3.411 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c1[O-] ZINC000877807517 624040499 /nfs/dbraw/zinc/04/04/99/624040499.db2.gz WTYDTUGKJOBCJA-DDTOSNHZSA-N 0 3 311.809 3.101 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000877811752 624043241 /nfs/dbraw/zinc/04/32/41/624043241.db2.gz VZEHJPFADSNVEN-HNNXBMFYSA-N 0 3 305.805 3.047 20 10 DGCDHN CN(C)c1ccc(CN(C)[C@H](CCO)c2ccccc2)cc1F ZINC000126885651 624162880 /nfs/dbraw/zinc/16/28/80/624162880.db2.gz GIWALDPTQJMAKO-GOSISDBHSA-N 0 3 316.420 3.447 20 10 DGCDHN C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000783244261 624330101 /nfs/dbraw/zinc/33/01/01/624330101.db2.gz FOSUAYNJBVDWKD-DAXOMENPSA-N 0 3 308.853 3.398 20 10 DGCDHN CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000783520682 624361205 /nfs/dbraw/zinc/36/12/05/624361205.db2.gz CTBNYFMUVCRUOM-ZDUSSCGKSA-N 0 3 306.406 3.052 20 10 DGCDHN Cc1ccc(CN(CCO)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000783602769 624373497 /nfs/dbraw/zinc/37/34/97/624373497.db2.gz LVOQTPWYWVUAQQ-UHFFFAOYSA-N 0 3 316.420 3.195 20 10 DGCDHN CC(C)N(C(=O)C[NH2+][C@H](C)c1ccccc1[O-])C1CCCC1 ZINC000879648262 624621300 /nfs/dbraw/zinc/62/13/00/624621300.db2.gz HDYLWIMHTNONAI-CQSZACIVSA-N 0 3 304.434 3.222 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N(C)Cc1ccccc1 ZINC000879649702 624622536 /nfs/dbraw/zinc/62/25/36/624622536.db2.gz SUBRVEJGMGVFDN-HUUCEWRRSA-N 0 3 312.413 3.090 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCC1CCCCC1 ZINC000879648794 624623147 /nfs/dbraw/zinc/62/31/47/624623147.db2.gz DXALRWGLFGHWFD-ZIAGYGMSSA-N 0 3 304.434 3.128 20 10 DGCDHN Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651663 624624057 /nfs/dbraw/zinc/62/40/57/624624057.db2.gz FVSABJYJMPTMMX-JKSUJKDBSA-N 0 3 315.413 3.100 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1[O-] ZINC000879650591 624624665 /nfs/dbraw/zinc/62/46/65/624624665.db2.gz IQRJSHRORDPNBH-ZFWWWQNUSA-N 0 3 312.369 3.068 20 10 DGCDHN CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879652260 624626068 /nfs/dbraw/zinc/62/60/68/624626068.db2.gz BOTGZJPNQAIDDV-LSDHHAIUSA-N 0 3 312.413 3.484 20 10 DGCDHN C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653759 624626584 /nfs/dbraw/zinc/62/65/84/624626584.db2.gz WHHKOAACEFWGJB-LSDHHAIUSA-N 0 3 312.413 3.262 20 10 DGCDHN COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653366 624626755 /nfs/dbraw/zinc/62/67/55/624626755.db2.gz PGYPXXNFRHLPPJ-STQMWFEESA-N 0 3 314.385 3.079 20 10 DGCDHN CC1(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000785468929 624671202 /nfs/dbraw/zinc/67/12/02/624671202.db2.gz MHUAMFQKAKPVBU-OAHLLOKOSA-N 0 3 308.853 3.400 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CC(F)(F)F)C1CCCC1 ZINC000787245669 624991529 /nfs/dbraw/zinc/99/15/29/624991529.db2.gz KNPKDDIBLPCYLZ-AWEZNQCLSA-N 0 3 317.351 3.450 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CC(F)(F)F)C1CCCC1 ZINC000787245669 624991533 /nfs/dbraw/zinc/99/15/33/624991533.db2.gz KNPKDDIBLPCYLZ-AWEZNQCLSA-N 0 3 317.351 3.450 20 10 DGCDHN CCN(C)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000790992264 625733675 /nfs/dbraw/zinc/73/36/75/625733675.db2.gz WBJAIFOXLWVIHT-OAHLLOKOSA-N 0 3 312.461 3.455 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000883085169 625921487 /nfs/dbraw/zinc/92/14/87/625921487.db2.gz KGOKKKSHFVCPSP-STQMWFEESA-N 0 3 324.415 3.413 20 10 DGCDHN C[C@H](NCc1ccc2oc(=O)oc2c1)c1ccc(N(C)C)cc1 ZINC000883092063 625924614 /nfs/dbraw/zinc/92/46/14/625924614.db2.gz FCKPPMIHYTZIOS-LBPRGKRZSA-N 0 3 312.369 3.303 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000883174494 625953494 /nfs/dbraw/zinc/95/34/94/625953494.db2.gz LOPNQVVDAXSKPN-CQSZACIVSA-N 0 3 310.388 3.167 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000883174494 625953497 /nfs/dbraw/zinc/95/34/97/625953497.db2.gz LOPNQVVDAXSKPN-CQSZACIVSA-N 0 3 310.388 3.167 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000883174493 625953643 /nfs/dbraw/zinc/95/36/43/625953643.db2.gz LOPNQVVDAXSKPN-AWEZNQCLSA-N 0 3 310.388 3.167 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000883174493 625953650 /nfs/dbraw/zinc/95/36/50/625953650.db2.gz LOPNQVVDAXSKPN-AWEZNQCLSA-N 0 3 310.388 3.167 20 10 DGCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc2[nH]c(=O)oc2c1 ZINC000796739061 626078069 /nfs/dbraw/zinc/07/80/69/626078069.db2.gz PCWXKRXDMHJVKI-NSHDSACASA-N 0 3 310.353 3.319 20 10 DGCDHN CCCCN(CC(=O)N1CCC[C@H](C)C1)Cc1ccccc1O ZINC000801596076 626411469 /nfs/dbraw/zinc/41/14/69/626411469.db2.gz NYRSEXYPWAUDLU-INIZCTEOSA-N 0 3 318.461 3.253 20 10 DGCDHN CCCC[N@H+](CCOC[C@@H]1CCCO1)Cc1ccccc1[O-] ZINC000801597161 626411652 /nfs/dbraw/zinc/41/16/52/626411652.db2.gz CPXQGINCDJHJMJ-KRWDZBQOSA-N 0 3 307.434 3.190 20 10 DGCDHN CCCC[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccccc1[O-] ZINC000801597161 626411654 /nfs/dbraw/zinc/41/16/54/626411654.db2.gz CPXQGINCDJHJMJ-KRWDZBQOSA-N 0 3 307.434 3.190 20 10 DGCDHN CCCCNC(=O)[C@H](C)[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801598514 626411930 /nfs/dbraw/zinc/41/19/30/626411930.db2.gz BGHBDEWWZKBWGI-HNNXBMFYSA-N 0 3 306.450 3.299 20 10 DGCDHN CCCCNC(=O)[C@H](C)[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801598514 626411931 /nfs/dbraw/zinc/41/19/31/626411931.db2.gz BGHBDEWWZKBWGI-HNNXBMFYSA-N 0 3 306.450 3.299 20 10 DGCDHN Cn1cc(-c2ccc(C[N@H+](C)Cc3ccccc3[O-])s2)cn1 ZINC000802637611 626564048 /nfs/dbraw/zinc/56/40/48/626564048.db2.gz FTXPJLFWRFFMCX-UHFFFAOYSA-N 0 3 313.426 3.486 20 10 DGCDHN Cn1cc(-c2ccc(C[N@@H+](C)Cc3ccccc3[O-])s2)cn1 ZINC000802637611 626564049 /nfs/dbraw/zinc/56/40/49/626564049.db2.gz FTXPJLFWRFFMCX-UHFFFAOYSA-N 0 3 313.426 3.486 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(N2CCCC2)nc1 ZINC000132702968 626735870 /nfs/dbraw/zinc/73/58/70/626735870.db2.gz DVIJANBFKZNHFP-UHFFFAOYSA-N 0 3 324.472 3.346 20 10 DGCDHN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808702199 626851074 /nfs/dbraw/zinc/85/10/74/626851074.db2.gz CPPIMRDUHSCWAZ-AAEUAGOBSA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1[O-] ZINC000808706553 626851682 /nfs/dbraw/zinc/85/16/82/626851682.db2.gz MRSOKLBOHNJPGW-SQWGHXPGSA-N 0 3 322.836 3.014 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1[O-] ZINC000808707525 626851928 /nfs/dbraw/zinc/85/19/28/626851928.db2.gz RHGMIQDQNVIJDE-AAEUAGOBSA-N 0 3 310.825 3.014 20 10 DGCDHN COC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])[C@H]1CCCO1 ZINC000808715492 626853037 /nfs/dbraw/zinc/85/30/37/626853037.db2.gz GWRHXEQGHZJMGA-BYCMXARLSA-N 0 3 313.825 3.199 20 10 DGCDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808714001 626853344 /nfs/dbraw/zinc/85/33/44/626853344.db2.gz LHXRQHLHHWJTNS-NILFDRSVSA-N 0 3 313.825 3.199 20 10 DGCDHN COCCn1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808717459 626853370 /nfs/dbraw/zinc/85/33/70/626853370.db2.gz IYMTZADZSKSUNG-LBPRGKRZSA-N 0 3 323.824 3.048 20 10 DGCDHN COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000809711369 626939732 /nfs/dbraw/zinc/93/97/32/626939732.db2.gz VOZSLGKPDUQUGK-INIZCTEOSA-N 0 3 313.397 3.444 20 10 DGCDHN COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000809711369 626939734 /nfs/dbraw/zinc/93/97/34/626939734.db2.gz VOZSLGKPDUQUGK-INIZCTEOSA-N 0 3 313.397 3.444 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000809722546 626941950 /nfs/dbraw/zinc/94/19/50/626941950.db2.gz BJYXCAGPBIZIRD-INIZCTEOSA-N 0 3 305.805 3.047 20 10 DGCDHN COc1cccc(CNCc2cnc(C(C)(C)C)s2)c1O ZINC000809740334 626944795 /nfs/dbraw/zinc/94/47/95/626944795.db2.gz ULONCJGJDLWNGK-UHFFFAOYSA-N 0 3 306.431 3.445 20 10 DGCDHN COc1cccc(CNCc2cnc(-c3ccco3)s2)c1O ZINC000809740285 626945091 /nfs/dbraw/zinc/94/50/91/626945091.db2.gz SETYLWNQVKWJFV-UHFFFAOYSA-N 0 3 316.382 3.407 20 10 DGCDHN COc1ccc(O)c(CNCc2ccccc2OCC(F)F)c1 ZINC000885986072 627076720 /nfs/dbraw/zinc/07/67/20/627076720.db2.gz XQMMQYTXPRAHQF-UHFFFAOYSA-N 0 3 323.339 3.335 20 10 DGCDHN C[C@H](N[C@@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000886513148 627155354 /nfs/dbraw/zinc/15/53/54/627155354.db2.gz VHPZPYJLJWCSHK-HNAYVOBHSA-N 0 3 323.440 3.256 20 10 DGCDHN COc1cc(C)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811781147 627321975 /nfs/dbraw/zinc/32/19/75/627321975.db2.gz YYTZGTAXFNGBIV-YOEHRIQHSA-N 0 3 305.418 3.099 20 10 DGCDHN Cc1[nH]c2ccccc2c1C1=CCN(c2cc(C)nc(N)n2)CC1 ZINC000811822649 627326257 /nfs/dbraw/zinc/32/62/57/627326257.db2.gz LBRYPUWTYKPMAO-UHFFFAOYSA-N 0 3 319.412 3.451 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](n4cccn4)C3)c2c1 ZINC000812294420 627367882 /nfs/dbraw/zinc/36/78/82/627367882.db2.gz MNOHEMDDPLBSGN-OAHLLOKOSA-N 0 3 323.396 3.198 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](n4cccn4)C3)c2c1 ZINC000812294420 627367884 /nfs/dbraw/zinc/36/78/84/627367884.db2.gz MNOHEMDDPLBSGN-OAHLLOKOSA-N 0 3 323.396 3.198 20 10 DGCDHN c1nnc([C@@H](NCc2ccc3c(c2)CCO3)C2CCCCC2)[nH]1 ZINC000813857495 627516180 /nfs/dbraw/zinc/51/61/80/627516180.db2.gz VSCFXQSMXBURJP-KRWDZBQOSA-N 0 3 312.417 3.151 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccc(F)cc1 ZINC000815055381 627619911 /nfs/dbraw/zinc/61/99/11/627619911.db2.gz YTBFCAOFMLZIBF-GOSISDBHSA-N 0 3 317.404 3.347 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccc(F)cc1 ZINC000815055381 627619912 /nfs/dbraw/zinc/61/99/12/627619912.db2.gz YTBFCAOFMLZIBF-GOSISDBHSA-N 0 3 317.404 3.347 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000815083371 627624718 /nfs/dbraw/zinc/62/47/18/627624718.db2.gz OIXRALKKSVCWOL-RDJZCZTQSA-N 0 3 303.377 3.176 20 10 DGCDHN Cc1ccsc1[C@H](CO)NCc1ccc(N(C)C)c(C)c1 ZINC000815096227 627626306 /nfs/dbraw/zinc/62/63/06/627626306.db2.gz ZAPGXFRGRYQTQV-HNNXBMFYSA-N 0 3 304.459 3.254 20 10 DGCDHN CN1CC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815576535 627686134 /nfs/dbraw/zinc/68/61/34/627686134.db2.gz SHYCMXCRKFBHHF-IEBWSBKVSA-N 0 3 310.441 3.360 20 10 DGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCN1CCC1 ZINC000815598262 627689759 /nfs/dbraw/zinc/68/97/59/627689759.db2.gz QGDJVXBYZSFRKU-LJQANCHMSA-N 0 3 310.441 3.361 20 10 DGCDHN COC(=O)N1CCC(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815626087 627692437 /nfs/dbraw/zinc/69/24/37/627692437.db2.gz VIOJCGSAOQYNJF-CQSZACIVSA-N 0 3 320.433 3.138 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCCNC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817941890 627969034 /nfs/dbraw/zinc/96/90/34/627969034.db2.gz SVYIAVYWXXFMHL-AAEUAGOBSA-N 0 3 302.340 3.204 20 10 DGCDHN CCCC[C@@H](CN)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000817961681 627975940 /nfs/dbraw/zinc/97/59/40/627975940.db2.gz CGVNXSPYRLWYEF-PWSUYJOCSA-N 0 3 315.255 3.323 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000926919820 627981283 /nfs/dbraw/zinc/98/12/83/627981283.db2.gz GCACKIPEOJFHFH-JQWIXIFHSA-N 0 3 320.330 3.209 20 10 DGCDHN CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000817980116 627982785 /nfs/dbraw/zinc/98/27/85/627982785.db2.gz IUUILYBMZUXUKA-WCQYABFASA-N 0 3 304.768 3.084 20 10 DGCDHN C[C@@H]([NH2+]CCCNC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984366 627983147 /nfs/dbraw/zinc/98/31/47/627983147.db2.gz RHFMFSKBWCSKLQ-SECBINFHSA-N 0 3 303.233 3.492 20 10 DGCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)n1 ZINC000927055628 628003657 /nfs/dbraw/zinc/00/36/57/628003657.db2.gz GLRLNZBOUDHOII-MGPQQGTHSA-N 0 3 313.401 3.251 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530183 628461713 /nfs/dbraw/zinc/46/17/13/628461713.db2.gz SSZNFAREGFQJOB-SFHVURJKSA-N 0 3 317.429 3.182 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530183 628461717 /nfs/dbraw/zinc/46/17/17/628461717.db2.gz SSZNFAREGFQJOB-SFHVURJKSA-N 0 3 317.429 3.182 20 10 DGCDHN CC/C=C/C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000824703242 628685837 /nfs/dbraw/zinc/68/58/37/628685837.db2.gz YNANWLXRJPYOAB-SNAWJCMRSA-N 0 3 300.196 3.219 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000824798371 628694751 /nfs/dbraw/zinc/69/47/51/628694751.db2.gz DBCAGJYTHCWSRT-KDOFPFPSSA-N 0 3 307.434 3.332 20 10 DGCDHN CCOc1ccc(O)c(CN2CCOCC23CCCCC3)c1 ZINC000825099076 628727666 /nfs/dbraw/zinc/72/76/66/628727666.db2.gz UCUMOKIFACBBJU-UHFFFAOYSA-N 0 3 305.418 3.326 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(Cl)c(OC)c2)c([O-])c1 ZINC000825143988 628732309 /nfs/dbraw/zinc/73/23/09/628732309.db2.gz IZGBGBVVUYNOTN-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000825900797 628809195 /nfs/dbraw/zinc/80/91/95/628809195.db2.gz RNZLFCJNTSEYCQ-XJKSGUPXSA-N 0 3 308.853 3.413 20 10 DGCDHN CCc1cccc(CNCc2cccnc2N2CCCC2)c1O ZINC000826899270 628900856 /nfs/dbraw/zinc/90/08/56/628900856.db2.gz IAMHZSUSWRLVSH-UHFFFAOYSA-N 0 3 311.429 3.240 20 10 DGCDHN COc1cc(Br)cc(CN2CC[C@@H]3C[C@@H]3C2)c1O ZINC000827507091 628966498 /nfs/dbraw/zinc/96/64/98/628966498.db2.gz UIJBBGPRNZTWAF-NXEZZACHSA-N 0 3 312.207 3.005 20 10 DGCDHN COc1cccc(O)c1CN[C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000827526139 628967816 /nfs/dbraw/zinc/96/78/16/628967816.db2.gz HKXBEHODUBRKQR-MOPGFXCFSA-N 0 3 315.413 3.249 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000827526139 628967819 /nfs/dbraw/zinc/96/78/19/628967819.db2.gz HKXBEHODUBRKQR-MOPGFXCFSA-N 0 3 315.413 3.249 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000827544516 628969035 /nfs/dbraw/zinc/96/90/35/628969035.db2.gz CZURLGSGTUYROR-MRXNPFEDSA-N 0 3 312.413 3.112 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000827544516 628969037 /nfs/dbraw/zinc/96/90/37/628969037.db2.gz CZURLGSGTUYROR-MRXNPFEDSA-N 0 3 312.413 3.112 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000827555424 628970141 /nfs/dbraw/zinc/97/01/41/628970141.db2.gz TYURQYSSRKQCFX-GFCCVEGCSA-N 0 3 324.852 3.091 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC(c3ccon3)CC2)c([O-])c1 ZINC000827629273 628978033 /nfs/dbraw/zinc/97/80/33/628978033.db2.gz GZIZNUHMYVIVNL-UHFFFAOYSA-N 0 3 302.374 3.159 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1[O-] ZINC000827856802 628997652 /nfs/dbraw/zinc/99/76/52/628997652.db2.gz SAIALNOWIMLRSX-MEDUHNTESA-N 0 3 321.804 3.266 20 10 DGCDHN Cc1cc(CN2CC[C@](O)(C(F)F)C2)ccc1N1CCCCC1 ZINC000831181792 629346782 /nfs/dbraw/zinc/34/67/82/629346782.db2.gz XMMNYNRXITVVKZ-GOSISDBHSA-N 0 3 324.415 3.187 20 10 DGCDHN CC(C)c1noc(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000834558203 629728685 /nfs/dbraw/zinc/72/86/85/629728685.db2.gz BUISUPKOCOQAKA-CYBMUJFWSA-N 0 3 301.390 3.108 20 10 DGCDHN CN(CC[NH2+][C@@H]1CCc2cccc([O-])c21)Cc1ccc(F)cc1 ZINC000834616256 629740420 /nfs/dbraw/zinc/74/04/20/629740420.db2.gz MSTSHDFQAWAIEQ-QGZVFWFLSA-N 0 3 314.404 3.240 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOc1ccc(F)cc1F)CC2 ZINC000834617405 629740725 /nfs/dbraw/zinc/74/07/25/629740725.db2.gz YDDZCKFANXALHR-AWEZNQCLSA-N 0 3 305.324 3.326 20 10 DGCDHN Oc1cccc2c1[C@@H](NCc1cccnc1OCC(F)F)CC2 ZINC000834696925 629760340 /nfs/dbraw/zinc/76/03/40/629760340.db2.gz BRZXFHBNOZHPKG-ZDUSSCGKSA-N 0 3 320.339 3.208 20 10 DGCDHN CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834698335 629760431 /nfs/dbraw/zinc/76/04/31/629760431.db2.gz YBMTYPXPZVTAGM-CQSZACIVSA-N 0 3 305.418 3.481 20 10 DGCDHN Cn1nc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC000834770025 629776748 /nfs/dbraw/zinc/77/67/48/629776748.db2.gz RTRIAZUJUFOJQU-MRXNPFEDSA-N 0 3 307.397 3.099 20 10 DGCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834845000 629789016 /nfs/dbraw/zinc/78/90/16/629789016.db2.gz XLBRABQVVSWGOR-NWDGAFQWSA-N 0 3 303.324 3.327 20 10 DGCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000834860944 629792984 /nfs/dbraw/zinc/79/29/84/629792984.db2.gz VYYFDTKWRUIDME-INIZCTEOSA-N 0 3 311.429 3.077 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])[C@@H](O)C(F)F ZINC000834875865 629795196 /nfs/dbraw/zinc/79/51/96/629795196.db2.gz UWSUOBDCVLTWSP-YDEJPDAXSA-N 0 3 307.768 3.409 20 10 DGCDHN Cc1cnc(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cn1 ZINC000834908690 629805919 /nfs/dbraw/zinc/80/59/19/629805919.db2.gz LGYCYWDQSMMROV-IINYFYTJSA-N 0 3 301.365 3.010 20 10 DGCDHN Cc1ccccc1[C@H](CO)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835042090 629832649 /nfs/dbraw/zinc/83/26/49/629832649.db2.gz GPWCQXMRAYUWFH-LZVBJTEYSA-N 0 3 310.441 3.397 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CC(C3CCOCC3)C2)cc1 ZINC000835049065 629835552 /nfs/dbraw/zinc/83/55/52/629835552.db2.gz FCNVJOBEEYSLMX-ONEGZZNKSA-N 0 3 300.446 3.124 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2cnc3n2CCCC3)cc1 ZINC000835050559 629836539 /nfs/dbraw/zinc/83/65/39/629836539.db2.gz UROSKQUPMPKQDJ-AATRIKPKSA-N 0 3 310.445 3.088 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@@H](CCO)c1cccs1 ZINC000840934120 630379935 /nfs/dbraw/zinc/37/99/35/630379935.db2.gz MJIAMMLWKVAYRH-INIZCTEOSA-N 0 3 304.459 3.336 20 10 DGCDHN CCN(Cc1occc1C)Cc1ccc(N2CCOCC2)cc1 ZINC000840969308 630388197 /nfs/dbraw/zinc/38/81/97/630388197.db2.gz BPSQVHJDMQCOLG-UHFFFAOYSA-N 0 3 314.429 3.447 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CC(C)C)OC)c1[O-] ZINC000841887958 630473160 /nfs/dbraw/zinc/47/31/60/630473160.db2.gz AYVYQAVHGRORIU-CYBMUJFWSA-N 0 3 301.814 3.205 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000842783567 630576079 /nfs/dbraw/zinc/57/60/79/630576079.db2.gz FTVYOOVKLDXIMN-QWHCGFSZSA-N 0 3 321.417 3.001 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1[O-] ZINC000842887584 630589664 /nfs/dbraw/zinc/58/96/64/630589664.db2.gz ZNZPSZVUQUXOHE-FZMZJTMJSA-N 0 3 324.852 3.404 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)c2c1c(F)ccc2[O-] ZINC000842885794 630589805 /nfs/dbraw/zinc/58/98/05/630589805.db2.gz PIFZSSQSHLQTEG-KGYLQXTDSA-N 0 3 320.408 3.069 20 10 DGCDHN CO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000842908468 630592776 /nfs/dbraw/zinc/59/27/76/630592776.db2.gz NDDUKHJIOKNXHU-KFKAGJAMSA-N 0 3 318.461 3.131 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCc1cccs1 ZINC000842907924 630592783 /nfs/dbraw/zinc/59/27/83/630592783.db2.gz IJPOVEKZYUSWRF-DOMZBBRYSA-N 0 3 318.442 3.199 20 10 DGCDHN OCC[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000842925206 630593994 /nfs/dbraw/zinc/59/39/94/630593994.db2.gz WVBMTDICQTXUNZ-HZPDHXFCSA-N 0 3 301.361 3.232 20 10 DGCDHN COc1ccc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)nc1 ZINC000845997499 631204990 /nfs/dbraw/zinc/20/49/90/631204990.db2.gz BUANKLJGLUYNHX-UHFFFAOYSA-N 0 3 316.376 3.315 20 10 DGCDHN COc1cccc([C@H](C)N[C@H](CCO)c2ccccc2F)c1O ZINC000846175144 631213452 /nfs/dbraw/zinc/21/34/52/631213452.db2.gz XFEQSVWBKVQCOD-BLLLJJGKSA-N 0 3 319.376 3.314 20 10 DGCDHN C[C@H](O)[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000846181560 631213872 /nfs/dbraw/zinc/21/38/72/631213872.db2.gz CFEARDPGCRTEHO-POHZPAGDSA-N 0 3 301.361 3.230 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c([O-])c1 ZINC000848559201 631693161 /nfs/dbraw/zinc/69/31/61/631693161.db2.gz QLOVLAPNQUDHAC-SUMWQHHRSA-N 0 3 310.397 3.305 20 10 DGCDHN CCc1cccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1O ZINC000848905290 631780391 /nfs/dbraw/zinc/78/03/91/631780391.db2.gz GGHJGJPEXCQRGX-NEPJUHHUSA-N 0 3 302.422 3.437 20 10 DGCDHN Oc1ccc(Cl)cc1CNc1ccc([C@H]2CNCCO2)cc1 ZINC000849351681 631902066 /nfs/dbraw/zinc/90/20/66/631902066.db2.gz BAVQWGSFMXQKSQ-QGZVFWFLSA-N 0 3 318.804 3.319 20 10 DGCDHN CCn1cc(CNCc2cc(OC)cc(C(C)(C)C)c2O)cn1 ZINC000850143861 632065121 /nfs/dbraw/zinc/06/51/21/632065121.db2.gz KBGFYACBHRLJOS-UHFFFAOYSA-N 0 3 317.433 3.205 20 10 DGCDHN COc1ccc(N2CC[C@@H](NCc3cccc(F)c3F)C2)cc1 ZINC000850347397 632121004 /nfs/dbraw/zinc/12/10/04/632121004.db2.gz RRYNXIDXZRBXIA-CQSZACIVSA-N 0 3 318.367 3.342 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c([O-])c1 ZINC000850382159 632134137 /nfs/dbraw/zinc/13/41/37/632134137.db2.gz OQXDXHVUKXOEQT-HNNXBMFYSA-N 0 3 317.360 3.023 20 10 DGCDHN CC(C)[C@@H](O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000850395844 632138904 /nfs/dbraw/zinc/13/89/04/632138904.db2.gz ZVTYMIKZVGKMPR-VQTJNVASSA-N 0 3 311.425 3.469 20 10 DGCDHN COC[C@H](CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])OC ZINC000850487204 632167851 /nfs/dbraw/zinc/16/78/51/632167851.db2.gz YEUPBCKESMVKQG-YPMHNXCESA-N 0 3 301.814 3.056 20 10 DGCDHN COC[C@@H](CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])OC ZINC000850487199 632167892 /nfs/dbraw/zinc/16/78/92/632167892.db2.gz YEUPBCKESMVKQG-DGCLKSJQSA-N 0 3 301.814 3.056 20 10 DGCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(F)cn3)C2)cc1 ZINC000850489654 632168422 /nfs/dbraw/zinc/16/84/22/632168422.db2.gz WGSKIIBSVLBGFD-ZFWWWQNUSA-N 0 3 315.392 3.159 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1[O-] ZINC000850500235 632172703 /nfs/dbraw/zinc/17/27/03/632172703.db2.gz DTGHJCARVDGUCN-IAGOWNOFSA-N 0 3 324.424 3.329 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(C)cc1[O-] ZINC000850503751 632174448 /nfs/dbraw/zinc/17/44/48/632174448.db2.gz YTEHHWVWKVJTIB-YOEYTUCGSA-N 0 3 309.475 3.431 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(C)cc1[O-] ZINC000850503748 632174497 /nfs/dbraw/zinc/17/44/97/632174497.db2.gz YTEHHWVWKVJTIB-PBOVLVJJSA-N 0 3 309.475 3.431 20 10 DGCDHN Cc1cncc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000850548780 632189046 /nfs/dbraw/zinc/18/90/46/632189046.db2.gz AANVRQIIWRZDFK-LBPRGKRZSA-N 0 3 305.809 3.346 20 10 DGCDHN C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(F)ccc1[O-] ZINC000850551295 632190078 /nfs/dbraw/zinc/19/00/78/632190078.db2.gz QMCQTLNMVWEULE-NSHDSACASA-N 0 3 303.381 3.383 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c([O-])c1 ZINC000185164404 660205573 /nfs/dbraw/zinc/20/55/73/660205573.db2.gz YFHVFKAGILHVRG-LSDHHAIUSA-N 0 3 310.397 3.157 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1[O-] ZINC000186134771 660269849 /nfs/dbraw/zinc/26/98/49/660269849.db2.gz OLDZWANXHZWIQG-PBHICJAKSA-N 0 3 310.397 3.238 20 10 DGCDHN CO[C@](C)(C[NH2+]Cc1ccccc1[O-])COCc1ccccc1 ZINC000702820088 660742233 /nfs/dbraw/zinc/74/22/33/660742233.db2.gz SBDKMFOVCYHANP-LJQANCHMSA-N 0 3 315.413 3.104 20 10 DGCDHN COC[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792824628 660987114 /nfs/dbraw/zinc/98/71/14/660987114.db2.gz OEPAQNBSMWMCJF-LBPRGKRZSA-N 0 3 316.367 3.240 20 10 DGCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cc(C)nn2C)cc1 ZINC000793519886 661040732 /nfs/dbraw/zinc/04/07/32/661040732.db2.gz DQLAWEYLZKXJOC-HNNXBMFYSA-N 0 3 300.450 3.426 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cnc3n2CCCC3)c2c1c(F)ccc2[O-] ZINC000793566235 661046207 /nfs/dbraw/zinc/04/62/07/661046207.db2.gz SPQDRZPCXPHACJ-RISCZKNCSA-N 0 3 315.392 3.402 20 10 DGCDHN CN1CCN(c2ccc(CNC3(C(F)F)CCCC3)cc2)CC1 ZINC000808451352 661090904 /nfs/dbraw/zinc/09/09/04/661090904.db2.gz JCOHRYYCOYAUNE-UHFFFAOYSA-N 0 3 323.431 3.106 20 10 DGCDHN CC[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc(C)cc1[O-] ZINC000794809907 661106476 /nfs/dbraw/zinc/10/64/76/661106476.db2.gz RUOWIXPCXCOIEU-INIZCTEOSA-N 0 3 304.434 3.144 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000794815721 661107185 /nfs/dbraw/zinc/10/71/85/661107185.db2.gz LDKMQLQDFWQSMV-NVXWUHKLSA-N 0 3 319.445 3.470 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000179879622 656088966 /nfs/dbraw/zinc/08/89/66/656088966.db2.gz WVBLZSHYOPDSAR-ZIAGYGMSSA-N 0 3 320.433 3.442 20 10 DGCDHN Cc1ncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000123412937 656179241 /nfs/dbraw/zinc/17/92/41/656179241.db2.gz UKVKCLAARCQWNN-CYBMUJFWSA-N 0 3 317.458 3.139 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(Cl)c1 ZINC000840945997 656580700 /nfs/dbraw/zinc/58/07/00/656580700.db2.gz FELNHNXLAMFXCT-CZUORRHYSA-N 0 3 308.853 3.413 20 10 DGCDHN C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000317536498 656629006 /nfs/dbraw/zinc/62/90/06/656629006.db2.gz KXOWZZOBFOXUKX-LRDDRELGSA-N 0 3 305.397 3.493 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321328303 658164942 /nfs/dbraw/zinc/16/49/42/658164942.db2.gz JBNHCRWPDACELV-UWVGGRQHSA-N 0 3 315.348 3.113 20 10 DGCDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccncc1 ZINC000156470464 658924595 /nfs/dbraw/zinc/92/45/95/658924595.db2.gz UACHKOSPRINPCG-HNNXBMFYSA-N 0 3 313.470 3.486 20 10 DGCDHN COc1ccc(N2CCN(CCc3ccccc3)CC2)cc1F ZINC000059569865 659147228 /nfs/dbraw/zinc/14/72/28/659147228.db2.gz BMTOPEHIBBYPGA-UHFFFAOYSA-N 0 3 314.404 3.199 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](SC)C2)c1[O-] ZINC000230934996 659357683 /nfs/dbraw/zinc/35/76/83/659357683.db2.gz QHPLAPLMDYHWSZ-NWDGAFQWSA-N 0 3 301.839 3.428 20 10 DGCDHN CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1ccccc1[O-] ZINC000230950811 659360097 /nfs/dbraw/zinc/36/00/97/659360097.db2.gz CMCIGFGVXKKAHH-HNNXBMFYSA-N 0 3 322.449 3.279 20 10 DGCDHN CCN(Cc1ccccc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000179574448 659933268 /nfs/dbraw/zinc/93/32/68/659933268.db2.gz KILPYDIEGXBXFU-KRWDZBQOSA-N 0 3 310.397 3.020 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(CC)CC ZINC000076074117 660086953 /nfs/dbraw/zinc/08/69/53/660086953.db2.gz CVJDXSTVTCSARS-AWEZNQCLSA-N 0 3 306.450 3.298 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(CC)CC ZINC000076074117 660086954 /nfs/dbraw/zinc/08/69/54/660086954.db2.gz CVJDXSTVTCSARS-AWEZNQCLSA-N 0 3 306.450 3.298 20 10 DGCDHN C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccccc1[O-] ZINC000183415222 660109856 /nfs/dbraw/zinc/10/98/56/660109856.db2.gz QTJVLLNPYCAVJV-OAHLLOKOSA-N 0 3 320.502 3.404 20 10 DGCDHN CCCCOCCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000076274225 660157660 /nfs/dbraw/zinc/15/76/60/660157660.db2.gz ZUTWJBBQMUPEBC-UHFFFAOYSA-N 0 3 301.814 3.351 20 10 DGCDHN COc1ccc(N(C)CCN(C)[C@@H](C)c2ccc(F)nc2)cc1 ZINC000930852063 661434585 /nfs/dbraw/zinc/43/45/85/661434585.db2.gz GEUCVYFVXLNIGK-AWEZNQCLSA-N 0 3 317.408 3.359 20 10 DGCDHN COCCO[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000193417216 662133642 /nfs/dbraw/zinc/13/36/42/662133642.db2.gz XOKBOKYKCROIOH-INIZCTEOSA-N 0 3 315.413 3.173 20 10 DGCDHN COCCO[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000193417216 662133643 /nfs/dbraw/zinc/13/36/43/662133643.db2.gz XOKBOKYKCROIOH-INIZCTEOSA-N 0 3 315.413 3.173 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H](O)Cc1ccccc1 ZINC000248534327 662352046 /nfs/dbraw/zinc/35/20/46/662352046.db2.gz ZRVABIVGMVORPY-JCGVRSQUSA-N 0 3 303.377 3.174 20 10 DGCDHN CC[C@H](C)[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000381338131 685156597 /nfs/dbraw/zinc/15/65/97/685156597.db2.gz AXGTXBWHFDFFIO-HZMBPMFUSA-N 0 3 301.814 3.205 20 10 DGCDHN CC[C@@H](C)[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000381338138 685156616 /nfs/dbraw/zinc/15/66/16/685156616.db2.gz AXGTXBWHFDFFIO-YGRLFVJLSA-N 0 3 301.814 3.205 20 10 DGCDHN COc1ccc(C[NH2+][C@@H](C)CCOCc2ccccc2)c([O-])c1 ZINC000389971279 685198543 /nfs/dbraw/zinc/19/85/43/685198543.db2.gz VCOHNJZFKBCUIH-HNNXBMFYSA-N 0 3 315.413 3.486 20 10 DGCDHN CC[C@@H](C)C[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001576972537 1191877812 /nfs/dbraw/zinc/87/78/12/1191877812.db2.gz VWXBLBPIMJIDKM-KDOFPFPSSA-N 0 3 317.477 3.007 20 10 DGCDHN Cc1cc([O-])c(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1Cl ZINC001579638454 1191983661 /nfs/dbraw/zinc/98/36/61/1191983661.db2.gz XWESSPODWIJRPS-DOTOQJQBSA-N 0 3 316.832 3.199 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c(O)c1C ZINC001592136028 1192595094 /nfs/dbraw/zinc/59/50/94/1192595094.db2.gz QWGYQKZQLKQHHL-ZDUSSCGKSA-N 0 3 323.400 3.040 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c(O)c1C ZINC001592136028 1192595098 /nfs/dbraw/zinc/59/50/98/1192595098.db2.gz QWGYQKZQLKQHHL-ZDUSSCGKSA-N 0 3 323.400 3.040 20 10 DGCDHN Cc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC001592230124 1192603231 /nfs/dbraw/zinc/60/32/31/1192603231.db2.gz LYVZEULRRYLRGJ-ZDUSSCGKSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1cccc(C[N@H+](C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC001592230124 1192603233 /nfs/dbraw/zinc/60/32/33/1192603233.db2.gz LYVZEULRRYLRGJ-ZDUSSCGKSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001592230124 1192603236 /nfs/dbraw/zinc/60/32/36/1192603236.db2.gz LYVZEULRRYLRGJ-ZDUSSCGKSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1cccc(C[N@H+](C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001592230124 1192603246 /nfs/dbraw/zinc/60/32/46/1192603246.db2.gz LYVZEULRRYLRGJ-ZDUSSCGKSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@@H](CC(N)=O)c1ccccc1 ZINC001620950494 1192645003 /nfs/dbraw/zinc/64/50/03/1192645003.db2.gz CTUWIDWZLILWRP-KRWDZBQOSA-N 0 3 321.424 3.193 20 10 DGCDHN CC[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccccc1[O-] ZINC001334889194 1178822651 /nfs/dbraw/zinc/82/26/51/1178822651.db2.gz HVJUTFWAWPJYES-GFCCVEGCSA-N 0 3 313.323 3.385 20 10 DGCDHN Nc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC001335287832 1178886601 /nfs/dbraw/zinc/88/66/01/1178886601.db2.gz BXRIYVYYEMEQRS-AWEZNQCLSA-N 0 3 324.350 3.321 20 10 DGCDHN COc1cc(CNCc2ccc(N(C)C)cc2C)ccc1F ZINC001200376906 1180586767 /nfs/dbraw/zinc/58/67/67/1180586767.db2.gz HMKJLXGPTKCQCY-UHFFFAOYSA-N 0 3 302.393 3.499 20 10 DGCDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](c1nncn1C)C(C)C ZINC001353932178 1180687010 /nfs/dbraw/zinc/68/70/10/1180687010.db2.gz GXVYTGFVVAFUKS-IGCXYCKISA-N 0 3 314.433 3.364 20 10 DGCDHN COc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)c(O)c1OC ZINC001355321783 1181036005 /nfs/dbraw/zinc/03/60/05/1181036005.db2.gz SOTKNTCHENWCIH-BZNIZROVSA-N 0 3 315.369 3.021 20 10 DGCDHN COc1ccc(C(=O)C2CCN(Cc3ccc(N)cc3)CC2)cc1 ZINC001356083655 1181139026 /nfs/dbraw/zinc/13/90/26/1181139026.db2.gz WZHDDAVIHGPWAQ-UHFFFAOYSA-N 0 3 324.424 3.372 20 10 DGCDHN Cn1cc(CNCc2ccc3c(c2)CCO3)c(-c2ccccc2)n1 ZINC001461128750 1182772143 /nfs/dbraw/zinc/77/21/43/1182772143.db2.gz JOSOKIRVIKIKKX-UHFFFAOYSA-N 0 3 319.408 3.312 20 10 DGCDHN CC(C)c1ccc(O)c(CN2C[C@@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC001462179269 1182919102 /nfs/dbraw/zinc/91/91/02/1182919102.db2.gz NACHXLOEFQMLTE-VCBZYWHSSA-N 0 3 319.445 3.284 20 10 DGCDHN CO[C@@]1(C)C[C@H](NCc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001474022519 1183852712 /nfs/dbraw/zinc/85/27/12/1183852712.db2.gz XQYZTRBRERCVJC-RDJZCZTQSA-N 0 3 312.404 3.324 20 10 DGCDHN Cc1csc(N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)n1 ZINC001474253083 1183890715 /nfs/dbraw/zinc/89/07/15/1183890715.db2.gz IOHIACJRVYKDNC-ZDUSSCGKSA-N 0 3 317.458 3.477 20 10 DGCDHN CC[C@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001616858753 1193549717 /nfs/dbraw/zinc/54/97/17/1193549717.db2.gz SLEUARWQWJGAPT-YJBOKZPZSA-N 0 3 319.493 3.298 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001560360764 1189318529 /nfs/dbraw/zinc/31/85/29/1189318529.db2.gz YWSNTPPOXABTQH-HNNXBMFYSA-N 0 3 310.388 3.025 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001560360764 1189318534 /nfs/dbraw/zinc/31/85/34/1189318534.db2.gz YWSNTPPOXABTQH-HNNXBMFYSA-N 0 3 310.388 3.025 20 10 DGCDHN CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001560679237 1189359829 /nfs/dbraw/zinc/35/98/29/1189359829.db2.gz GYLQPKSCKBTJSQ-RDJZCZTQSA-N 0 3 318.461 3.217 20 10 DGCDHN CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001560679237 1189359833 /nfs/dbraw/zinc/35/98/33/1189359833.db2.gz GYLQPKSCKBTJSQ-RDJZCZTQSA-N 0 3 318.461 3.217 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)c([O-])c1 ZINC001560710707 1189365607 /nfs/dbraw/zinc/36/56/07/1189365607.db2.gz SHJPHMIZDYJKTK-CRPOECCBSA-N 0 3 305.418 3.112 20 10 DGCDHN COc1ccc2nc(C[NH2+]Cc3c([O-])cccc3F)sc2c1 ZINC001561015968 1189420606 /nfs/dbraw/zinc/42/06/06/1189420606.db2.gz LSPJFJJGEWEALT-UHFFFAOYSA-N 0 3 318.373 3.439 20 10 DGCDHN CCOC(=O)/C=C\C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001641730963 1194868870 /nfs/dbraw/zinc/86/88/70/1194868870.db2.gz BPPGTDUOBARNMP-GHXNOFRVSA-N 0 3 303.402 3.256 20 10 DGCDHN CCOC(=O)/C=C\C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001641730963 1194868873 /nfs/dbraw/zinc/86/88/73/1194868873.db2.gz BPPGTDUOBARNMP-GHXNOFRVSA-N 0 3 303.402 3.256 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1[O-] ZINC001648053752 1195273882 /nfs/dbraw/zinc/27/38/82/1195273882.db2.gz GHWJGQBQWSVYSQ-SNVBAGLBSA-N 0 3 322.767 3.474 20 10 DGCDHN COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1F ZINC001648054642 1195273985 /nfs/dbraw/zinc/27/39/85/1195273985.db2.gz YQSNTZYUAVZTMV-NSHDSACASA-N 0 3 303.333 3.169 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c([O-])c1 ZINC001652744532 1195645478 /nfs/dbraw/zinc/64/54/78/1195645478.db2.gz CEJQMEWXOFIHMV-OAHLLOKOSA-N 0 3 305.418 3.243 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c([O-])c1 ZINC001652744532 1195645483 /nfs/dbraw/zinc/64/54/83/1195645483.db2.gz CEJQMEWXOFIHMV-OAHLLOKOSA-N 0 3 305.418 3.243 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@](O)(CC)C(F)(F)F ZINC001653476045 1195726540 /nfs/dbraw/zinc/72/65/40/1195726540.db2.gz NNHMNQAFZUQPQZ-AWEZNQCLSA-N 0 3 305.340 3.308 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@](O)(CC)C(F)(F)F ZINC001653476045 1195726541 /nfs/dbraw/zinc/72/65/41/1195726541.db2.gz NNHMNQAFZUQPQZ-AWEZNQCLSA-N 0 3 305.340 3.308 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2Cc3ccccc3O2)cc1F ZINC001657120792 1196107706 /nfs/dbraw/zinc/10/77/06/1196107706.db2.gz RHXDMQZGVZWVDH-AWEZNQCLSA-N 0 3 318.367 3.124 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN1CCN(Cc2ccccc2)CC1 ZINC001657173000 1196114591 /nfs/dbraw/zinc/11/45/91/1196114591.db2.gz GVOMXOHJGBBFAY-UHFFFAOYSA-N 0 3 323.484 3.379 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001657230457 1196120790 /nfs/dbraw/zinc/12/07/90/1196120790.db2.gz ZZDBQLOLUXCZOS-YVEFUNNKSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001657230457 1196120791 /nfs/dbraw/zinc/12/07/91/1196120791.db2.gz ZZDBQLOLUXCZOS-YVEFUNNKSA-N 0 3 322.399 3.119 20 10 DGCDHN CCCN(CCC)c1ccc(CNC(C)(C)C(=O)NCC)cc1 ZINC001657484595 1196147731 /nfs/dbraw/zinc/14/77/31/1196147731.db2.gz WRSSGEVNXVTXMD-UHFFFAOYSA-N 0 3 319.493 3.317 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cnc3c(F)cccc3c2)c([O-])c1 ZINC001657896588 1196191527 /nfs/dbraw/zinc/19/15/27/1196191527.db2.gz AYGHJSXTLXONFM-UHFFFAOYSA-N 0 3 312.344 3.378 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1cc(N(C)C)ccn1 ZINC001658003510 1196200887 /nfs/dbraw/zinc/20/08/87/1196200887.db2.gz PMBOOQXNGDXHFI-UHFFFAOYSA-N 0 3 308.429 3.238 20 10 DGCDHN COc1ccc(Cl)cc1[C@H](O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC001658104944 1196212451 /nfs/dbraw/zinc/21/24/51/1196212451.db2.gz MFIDMRPPDVEUSG-MRXNPFEDSA-N 0 3 321.804 3.186 20 10 DGCDHN COc1cc(C)c(CNCc2ccc3c(n2)CCCC3)c(O)c1 ZINC001659022534 1196333855 /nfs/dbraw/zinc/33/38/55/1196333855.db2.gz UCDLGVNYGIFCKV-UHFFFAOYSA-N 0 3 312.413 3.273 20 10 DGCDHN CC(C)c1ccc(O)c(CN[C@](C)(CO)c2cccc(O)c2)c1 ZINC001660327344 1196471750 /nfs/dbraw/zinc/47/17/50/1196471750.db2.gz MMRPFLHOWGFQAL-LJQANCHMSA-N 0 3 315.413 3.219 20 10 DGCDHN CCc1cccc(CN2CC3(CN(Cc4ccccc4)C3)C2)c1O ZINC001660479713 1196488885 /nfs/dbraw/zinc/48/88/85/1196488885.db2.gz YZFCYJQZKGIKKM-UHFFFAOYSA-N 0 3 322.452 3.272 20 10 DGCDHN CCc1cccc(CN2CCN(c3cccc(F)c3)CC2)c1O ZINC001660512698 1196492483 /nfs/dbraw/zinc/49/24/83/1196492483.db2.gz BQJFBYOHSLTGEF-UHFFFAOYSA-N 0 3 314.404 3.416 20 10 DGCDHN CC[C@@H](C)[C@@H](CNCc1cc(F)c(N(C)C)cc1F)OC ZINC001662495340 1196725215 /nfs/dbraw/zinc/72/52/15/1196725215.db2.gz HGGUHYRGUYBEDK-BDJLRTHQSA-N 0 3 300.393 3.182 20 10 DGCDHN CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C12CCC2 ZINC001663821120 1196948292 /nfs/dbraw/zinc/94/82/92/1196948292.db2.gz CVSBZEUZMLHIKM-MSOLQXFVSA-N 0 3 319.445 3.489 20 10 DGCDHN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C12CCC2 ZINC001663821120 1196948295 /nfs/dbraw/zinc/94/82/95/1196948295.db2.gz CVSBZEUZMLHIKM-MSOLQXFVSA-N 0 3 319.445 3.489 20 10 DGCDHN COc1ccc(CNC/C=C/CNC(=O)CC(C)(C)C)cc1C ZINC001699233133 1201765612 /nfs/dbraw/zinc/76/56/12/1201765612.db2.gz PDLLVWXGKIXIDL-VOTSOKGWSA-N 0 3 318.461 3.202 20 10 DGCDHN C[C@H]1CCCCN1c1cccc(NCc2ccc(O)c(O)c2)n1 ZINC001169993338 1081806538 /nfs/dbraw/zinc/80/65/38/1081806538.db2.gz UJPXMXWZUDWTCO-ZDUSSCGKSA-N 0 3 313.401 3.484 20 10 DGCDHN COc1ccc([C@@H]2CC[N@H+](Cc3ccc(OC)cc3[O-])C2)cc1 ZINC000092783652 1084727531 /nfs/dbraw/zinc/72/75/31/1084727531.db2.gz UYWZYDAGYJEYHQ-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)cc1 ZINC000092783652 1084727541 /nfs/dbraw/zinc/72/75/41/1084727541.db2.gz UYWZYDAGYJEYHQ-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)CCOC(C)(C)C)c1[O-] ZINC000689895708 1087538814 /nfs/dbraw/zinc/53/88/14/1087538814.db2.gz NHOOQHMEAWXVOT-UHFFFAOYSA-N 0 3 301.814 3.301 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCOC(C)(C)C)c1[O-] ZINC000689895708 1087538816 /nfs/dbraw/zinc/53/88/16/1087538816.db2.gz NHOOQHMEAWXVOT-UHFFFAOYSA-N 0 3 301.814 3.301 20 10 DGCDHN Cc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])[nH+]c1N ZINC001168527144 1090342446 /nfs/dbraw/zinc/34/24/46/1090342446.db2.gz DHOMDQMOHPENPW-UHFFFAOYSA-N 0 3 314.776 3.492 20 10 DGCDHN CCOc1ccc(N2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001203561403 1090756974 /nfs/dbraw/zinc/75/69/74/1090756974.db2.gz VGHJHYXENKPGRR-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c([O-])c1 ZINC001203628775 1090769386 /nfs/dbraw/zinc/76/93/86/1090769386.db2.gz FHWRTADXOTZXNG-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c([O-])c1 ZINC001203628775 1090769389 /nfs/dbraw/zinc/76/93/89/1090769389.db2.gz FHWRTADXOTZXNG-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN Cc1c[nH+]ccc1N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203665643 1090776241 /nfs/dbraw/zinc/77/62/41/1090776241.db2.gz QXOOHVOJOHGIED-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN Oc1ccc(CN2CCC3(CC(OCC4CC4)C3)CC2)cc1O ZINC001203879651 1090826644 /nfs/dbraw/zinc/82/66/44/1090826644.db2.gz WMRQEUFURAETCA-UHFFFAOYSA-N 0 3 317.429 3.269 20 10 DGCDHN CN(C)c1ccc(CN2CCC3(CC(F)(F)CO3)CC2)cc1 ZINC001203930642 1090842006 /nfs/dbraw/zinc/84/20/06/1090842006.db2.gz BJTNGDDBMDCUBH-UHFFFAOYSA-N 0 3 310.388 3.143 20 10 DGCDHN CCOC(=O)C1(CC)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203937604 1090844339 /nfs/dbraw/zinc/84/43/39/1090844339.db2.gz ZMTXBNFHINGDJZ-UHFFFAOYSA-N 0 3 318.461 3.308 20 10 DGCDHN CCc1nc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)no1 ZINC001203937616 1090844663 /nfs/dbraw/zinc/84/46/63/1090844663.db2.gz HJJZNYYKWXKBRG-UHFFFAOYSA-N 0 3 314.433 3.078 20 10 DGCDHN Oc1ccc(CN2CC[C@@H](Oc3cc(F)ccc3F)C2)c(O)c1 ZINC001204274679 1090938000 /nfs/dbraw/zinc/93/80/00/1090938000.db2.gz FPJFACKLYXILRK-CQSZACIVSA-N 0 3 321.323 3.029 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001204275519 1090938306 /nfs/dbraw/zinc/93/83/06/1090938306.db2.gz UVMPTSCBOSHAEP-UHFFFAOYSA-N 0 3 317.429 3.269 20 10 DGCDHN CCOC(=O)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327668 1090950120 /nfs/dbraw/zinc/95/01/20/1090950120.db2.gz DTKSERBNYVOBGA-UHFFFAOYSA-N 0 3 316.445 3.062 20 10 DGCDHN c1cc(N2CCCCC2)ccc1CN1CC(N2CCCCC2)C1 ZINC001138220402 1091119609 /nfs/dbraw/zinc/11/96/09/1091119609.db2.gz BAIAFAWPNMRRRP-UHFFFAOYSA-N 0 3 313.489 3.347 20 10 DGCDHN CN(Cc1ccccn1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337636 1091145557 /nfs/dbraw/zinc/14/55/57/1091145557.db2.gz CFLVYBPSEQTJER-UHFFFAOYSA-N 0 3 323.440 3.118 20 10 DGCDHN CCN(CC)c1ccc(CN2CCCO[C@H](C)C2)c(OC)c1 ZINC001138386192 1091161238 /nfs/dbraw/zinc/16/12/38/1091161238.db2.gz IXTHRXVJYXQKBU-OAHLLOKOSA-N 0 3 306.450 3.152 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC(O)(CC)CC2)c(OC)c1 ZINC001138388965 1091162808 /nfs/dbraw/zinc/16/28/08/1091162808.db2.gz CSSADGPVBRAVHL-UHFFFAOYSA-N 0 3 320.477 3.278 20 10 DGCDHN CCCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@H]2OC)cc1C ZINC001205298572 1091170989 /nfs/dbraw/zinc/17/09/89/1091170989.db2.gz GLTQKQOBTMZWFL-NJAFHUGGSA-N 0 3 307.434 3.066 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC[C@](C)(O)c2ccccc2)c([O-])c1 ZINC001205491675 1091234685 /nfs/dbraw/zinc/23/46/85/1091234685.db2.gz BMEAKLKPEURWHY-IBGZPJMESA-N 0 3 315.413 3.097 20 10 DGCDHN C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001205916171 1091411183 /nfs/dbraw/zinc/41/11/83/1091411183.db2.gz SGYMDEUOKFJRHH-NXEZZACHSA-N 0 3 303.233 3.258 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cc(=O)n(C)c2ccccc12 ZINC001139762202 1091665621 /nfs/dbraw/zinc/66/56/21/1091665621.db2.gz XYGMTZHCOBKMFN-UHFFFAOYSA-N 0 3 322.408 3.266 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cc(=O)n(C)c2ccccc12 ZINC001139762202 1091665631 /nfs/dbraw/zinc/66/56/31/1091665631.db2.gz XYGMTZHCOBKMFN-UHFFFAOYSA-N 0 3 322.408 3.266 20 10 DGCDHN C[C@H](C[NH+](C)C)[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001206800504 1091746158 /nfs/dbraw/zinc/74/61/58/1091746158.db2.gz KTYMWBSRYNNLJV-MLGOLLRUSA-N 0 3 312.404 3.223 20 10 DGCDHN CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140059194 1091754939 /nfs/dbraw/zinc/75/49/39/1091754939.db2.gz YDSMLNHXZVOPCY-CQSZACIVSA-N 0 3 309.381 3.228 20 10 DGCDHN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140059194 1091754945 /nfs/dbraw/zinc/75/49/45/1091754945.db2.gz YDSMLNHXZVOPCY-CQSZACIVSA-N 0 3 309.381 3.228 20 10 DGCDHN CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060050 1091755058 /nfs/dbraw/zinc/75/50/58/1091755058.db2.gz IPHBHABCMHZVOD-LBPRGKRZSA-N 0 3 309.381 3.085 20 10 DGCDHN CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060050 1091755061 /nfs/dbraw/zinc/75/50/61/1091755061.db2.gz IPHBHABCMHZVOD-LBPRGKRZSA-N 0 3 309.381 3.085 20 10 DGCDHN C[N@H+](Cc1ccc(Br)cc1N)Cc1ccccc1[O-] ZINC001140224834 1091804256 /nfs/dbraw/zinc/80/42/56/1091804256.db2.gz FEPGVYCODHFKCC-UHFFFAOYSA-N 0 3 321.218 3.369 20 10 DGCDHN C[N@@H+](Cc1ccc(Br)cc1N)Cc1ccccc1[O-] ZINC001140224834 1091804262 /nfs/dbraw/zinc/80/42/62/1091804262.db2.gz FEPGVYCODHFKCC-UHFFFAOYSA-N 0 3 321.218 3.369 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140468368 1091879442 /nfs/dbraw/zinc/87/94/42/1091879442.db2.gz IJFMEMAMYCLAPR-LSDHHAIUSA-N 0 3 312.816 3.054 20 10 DGCDHN COC(=O)c1ccc2c(c1)CCN(Cc1cc(C)ccc1O)C2 ZINC001140619877 1091935447 /nfs/dbraw/zinc/93/54/47/1091935447.db2.gz STTSWHYQPWUTCX-UHFFFAOYSA-N 0 3 311.381 3.046 20 10 DGCDHN CCN(CC)c1ccc(CN2CCCC[C@@H]2C(C)=O)c(O)c1 ZINC001140855776 1092030264 /nfs/dbraw/zinc/03/02/64/1092030264.db2.gz JYSLMDJVAFTDDQ-QGZVFWFLSA-N 0 3 304.434 3.182 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001140921761 1092063619 /nfs/dbraw/zinc/06/36/19/1092063619.db2.gz OXHDJEULWBTTTL-RHSMWYFYSA-N 0 3 308.853 3.407 20 10 DGCDHN Cc1ccc(C[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC001140950900 1092077472 /nfs/dbraw/zinc/07/74/72/1092077472.db2.gz OJHNRFXDEFVSIP-UHFFFAOYSA-N 0 3 322.449 3.436 20 10 DGCDHN Cc1ccc(C[N@H+](CCNC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC001140950900 1092077479 /nfs/dbraw/zinc/07/74/79/1092077479.db2.gz OJHNRFXDEFVSIP-UHFFFAOYSA-N 0 3 322.449 3.436 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c([O-])c1 ZINC001140957824 1092081928 /nfs/dbraw/zinc/08/19/28/1092081928.db2.gz OMIHRIUNXJPSRP-UHFFFAOYSA-N 0 3 311.429 3.116 20 10 DGCDHN Cc1ccc(C[N@H+]2CCCN(c3cccc(C)n3)CC2)c([O-])c1 ZINC001140957824 1092081935 /nfs/dbraw/zinc/08/19/35/1092081935.db2.gz OMIHRIUNXJPSRP-UHFFFAOYSA-N 0 3 311.429 3.116 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2OCc3ccccc32)c1[O-] ZINC001207805831 1092106494 /nfs/dbraw/zinc/10/64/94/1092106494.db2.gz KVXWFQKMIHRVTN-MRXNPFEDSA-N 0 3 319.788 3.415 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCc2cccc(C)c2)c(OC)c1 ZINC001141028168 1092110594 /nfs/dbraw/zinc/11/05/94/1092110594.db2.gz DLCNHMJGPVKHGC-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2cccc(C)c2)c(OC)c1 ZINC001141028168 1092110606 /nfs/dbraw/zinc/11/06/06/1092110606.db2.gz DLCNHMJGPVKHGC-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(OC)c1 ZINC001141030881 1092113162 /nfs/dbraw/zinc/11/31/62/1092113162.db2.gz OZHWJYLHFCLDCQ-ZIAGYGMSSA-N 0 3 305.418 3.422 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(OC)c1 ZINC001141030881 1092113164 /nfs/dbraw/zinc/11/31/64/1092113164.db2.gz OZHWJYLHFCLDCQ-ZIAGYGMSSA-N 0 3 305.418 3.422 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(OC)c1 ZINC001141031876 1092113416 /nfs/dbraw/zinc/11/34/16/1092113416.db2.gz NAVUFPBPEQCHKK-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(OC)c1 ZINC001141031876 1092113421 /nfs/dbraw/zinc/11/34/21/1092113421.db2.gz NAVUFPBPEQCHKK-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc(N2CCN(CC[C@H](C)SC)CC2)c(C)c1 ZINC001208149976 1092220977 /nfs/dbraw/zinc/22/09/77/1092220977.db2.gz OPQUMOHVYRNFLU-HNNXBMFYSA-N 0 3 308.491 3.267 20 10 DGCDHN C[C@@H](CN(C)Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC001208893130 1092570754 /nfs/dbraw/zinc/57/07/54/1092570754.db2.gz FVMXAKRTWAWANP-ZDUSSCGKSA-N 0 3 316.367 3.153 20 10 DGCDHN CC(C)(C)c1cccc(CN2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC001143103811 1092614908 /nfs/dbraw/zinc/61/49/08/1092614908.db2.gz KRESNQRHKNATIN-HNNXBMFYSA-N 0 3 317.351 3.189 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)CN(C)CC(C)(C)C ZINC001149880367 1092739630 /nfs/dbraw/zinc/73/96/30/1092739630.db2.gz IQTDGPTWFVHJDR-UHFFFAOYSA-N 0 3 306.450 3.109 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC000183212119 1093995312 /nfs/dbraw/zinc/99/53/12/1093995312.db2.gz DKDIGJVHTCPONS-QGZVFWFLSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC000183212119 1093995314 /nfs/dbraw/zinc/99/53/14/1093995314.db2.gz DKDIGJVHTCPONS-QGZVFWFLSA-N 0 3 317.360 3.193 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(OC)c(C)c1 ZINC001137009338 1095283730 /nfs/dbraw/zinc/28/37/30/1095283730.db2.gz BRTLWZGOFDIYAL-UHFFFAOYSA-N 0 3 313.445 3.487 20 10 DGCDHN COc1cc([O-])c(CN2CCC[C@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222277704 1095525179 /nfs/dbraw/zinc/52/51/79/1095525179.db2.gz QQGVRTJRMHWGDR-KRWDZBQOSA-N 0 3 324.852 3.020 20 10 DGCDHN Cc1cc(CN2CCN(c3ccccc3)CC2)ccc1N(C)C ZINC001139669786 1095613484 /nfs/dbraw/zinc/61/34/84/1095613484.db2.gz NXNMGWYILDNXSQ-UHFFFAOYSA-N 0 3 309.457 3.383 20 10 DGCDHN CC[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC001116674230 1095631157 /nfs/dbraw/zinc/63/11/57/1095631157.db2.gz WDYFKAUSHVDCAP-ZBFHGGJFSA-N 0 3 304.434 3.082 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c([O-])c1 ZINC001116865161 1095684522 /nfs/dbraw/zinc/68/45/22/1095684522.db2.gz IZDOBEPXVXDSQZ-UHFFFAOYSA-N 0 3 312.413 3.291 20 10 DGCDHN CC[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(C)cc1[O-] ZINC001116889983 1095692664 /nfs/dbraw/zinc/69/26/64/1095692664.db2.gz LUYGCSIBOAHMDP-RDJZCZTQSA-N 0 3 318.461 3.390 20 10 DGCDHN CC[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(C)cc1[O-] ZINC001116889981 1095692730 /nfs/dbraw/zinc/69/27/30/1095692730.db2.gz LUYGCSIBOAHMDP-DOTOQJQBSA-N 0 3 318.461 3.390 20 10 DGCDHN Oc1cc(O)c(CN2CCc3cccc(Cl)c3C2)c(O)c1 ZINC001144515646 1095700563 /nfs/dbraw/zinc/70/05/63/1095700563.db2.gz UFWOVWQPVQLOOW-UHFFFAOYSA-N 0 3 305.761 3.015 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1cccc(-c3cncnc3)c1)CC2 ZINC001137771339 1095738304 /nfs/dbraw/zinc/73/83/04/1095738304.db2.gz APNPPSUHFUYSNL-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1cccc(-c3cncnc3)c1)CC2 ZINC001137771339 1095738316 /nfs/dbraw/zinc/73/83/16/1095738316.db2.gz APNPPSUHFUYSNL-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN COCCN(CCOC)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137854175 1095766252 /nfs/dbraw/zinc/76/62/52/1095766252.db2.gz LBCZNQKYEPZOHI-UHFFFAOYSA-N 0 3 316.445 3.189 20 10 DGCDHN Cc1cccc([C@@H](O)CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC001118853167 1096091902 /nfs/dbraw/zinc/09/19/02/1096091902.db2.gz YABQYMLHUPILIG-SFHVURJKSA-N 0 3 320.383 3.162 20 10 DGCDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccccc1[O-])CC2 ZINC001172899571 1097267347 /nfs/dbraw/zinc/26/73/47/1097267347.db2.gz OEYCAPRONPVWKS-MRXNPFEDSA-N 0 3 312.369 3.338 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1COc2cccc(OC)c2C1 ZINC001173165951 1097342250 /nfs/dbraw/zinc/34/22/50/1097342250.db2.gz QABWYOZJDDASCF-OAHLLOKOSA-N 0 3 313.397 3.226 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1COc2cccc(OC)c2C1 ZINC001173165951 1097342253 /nfs/dbraw/zinc/34/22/53/1097342253.db2.gz QABWYOZJDDASCF-OAHLLOKOSA-N 0 3 313.397 3.226 20 10 DGCDHN COc1ccc(Br)c(CN(C)C2CC(C)C2)c1O ZINC001231547737 1097778083 /nfs/dbraw/zinc/77/80/83/1097778083.db2.gz HYCAVHWRLSWQGT-UHFFFAOYSA-N 0 3 314.223 3.394 20 10 DGCDHN O=C1CC[C@]2(CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC001231590572 1097786136 /nfs/dbraw/zinc/78/61/36/1097786136.db2.gz IAWKWIQESYOGCK-IBGZPJMESA-N 0 3 311.381 3.217 20 10 DGCDHN O=C1CC[C@]2(CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC001231590572 1097786140 /nfs/dbraw/zinc/78/61/40/1097786140.db2.gz IAWKWIQESYOGCK-IBGZPJMESA-N 0 3 311.381 3.217 20 10 DGCDHN Cc1cccc(CN2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC001231591003 1097786778 /nfs/dbraw/zinc/78/67/78/1097786778.db2.gz OHKNARNTMVPCLT-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN COc1cc([O-])c(CN2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC001232264445 1097987266 /nfs/dbraw/zinc/98/72/66/1097987266.db2.gz IUFRUAYEVSOCSP-UHFFFAOYSA-N 0 3 324.852 3.114 20 10 DGCDHN Oc1cc(CN2CCC[C@H](Cc3ccccc3)C2)cc(O)c1O ZINC001233012076 1098204275 /nfs/dbraw/zinc/20/42/75/1098204275.db2.gz IUOTVEZUJJRIEF-OAHLLOKOSA-N 0 3 313.397 3.258 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1[O-] ZINC001233110137 1098228476 /nfs/dbraw/zinc/22/84/76/1098228476.db2.gz VQFKNLWHFJENNQ-XYYAHUGASA-N 0 3 314.198 3.110 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1[O-] ZINC001233110137 1098228479 /nfs/dbraw/zinc/22/84/79/1098228479.db2.gz VQFKNLWHFJENNQ-XYYAHUGASA-N 0 3 314.198 3.110 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c1[O-] ZINC001233287831 1098278014 /nfs/dbraw/zinc/27/80/14/1098278014.db2.gz JCQDULHTRRYGST-ZBEGNZNMSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)c1[O-] ZINC001233287831 1098278021 /nfs/dbraw/zinc/27/80/21/1098278021.db2.gz JCQDULHTRRYGST-ZBEGNZNMSA-N 0 3 313.825 3.037 20 10 DGCDHN CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455669 1098340828 /nfs/dbraw/zinc/34/08/28/1098340828.db2.gz UADKVALQSGGRFU-CQSZACIVSA-N 0 3 316.367 3.326 20 10 DGCDHN CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455669 1098340829 /nfs/dbraw/zinc/34/08/29/1098340829.db2.gz UADKVALQSGGRFU-CQSZACIVSA-N 0 3 316.367 3.326 20 10 DGCDHN CC[NH+](CC)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233454671 1098341788 /nfs/dbraw/zinc/34/17/88/1098341788.db2.gz FCSODAYKGGZAED-AWEZNQCLSA-N 0 3 316.367 3.327 20 10 DGCDHN COc1ccccc1[C@@H]1CCCN1Cc1cc(O)c(O)cc1O ZINC001233484881 1098345719 /nfs/dbraw/zinc/34/57/19/1098345719.db2.gz AMPGFAPJEKLTGR-AWEZNQCLSA-N 0 3 315.369 3.149 20 10 DGCDHN COc1ccc([C@H](C)N(C)Cc2cc(O)c(O)cc2O)cc1 ZINC001233486412 1098348015 /nfs/dbraw/zinc/34/80/15/1098348015.db2.gz MCNSPTLKAJOBLN-NSHDSACASA-N 0 3 303.358 3.005 20 10 DGCDHN C[C@H]1C[NH2+]CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001206286779 1098445872 /nfs/dbraw/zinc/44/58/72/1098445872.db2.gz URMKUOKWVCWPCK-LBPRGKRZSA-N 0 3 310.869 3.384 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@](C)(O)C3)c2c1 ZINC001234526456 1098580354 /nfs/dbraw/zinc/58/03/54/1098580354.db2.gz WALJYEVQKHSIJC-IBGZPJMESA-N 0 3 315.413 3.291 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@](C)(O)C3)c2c1 ZINC001234526456 1098580365 /nfs/dbraw/zinc/58/03/65/1098580365.db2.gz WALJYEVQKHSIJC-IBGZPJMESA-N 0 3 315.413 3.291 20 10 DGCDHN CC[C@@]12C[C@@H](CO1)[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234562966 1098602109 /nfs/dbraw/zinc/60/21/09/1098602109.db2.gz YYSIJDSYUVZRDW-LIRRHRJNSA-N 0 3 313.397 3.307 20 10 DGCDHN CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234562966 1098602117 /nfs/dbraw/zinc/60/21/17/1098602117.db2.gz YYSIJDSYUVZRDW-LIRRHRJNSA-N 0 3 313.397 3.307 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCN(C)C(C)(C)C3)c2c1 ZINC001234562157 1098602716 /nfs/dbraw/zinc/60/27/16/1098602716.db2.gz IYHMMZXGDMJDCZ-UHFFFAOYSA-N 0 3 314.429 3.080 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCN(C)C(C)(C)C3)c2c1 ZINC001234562157 1098602718 /nfs/dbraw/zinc/60/27/18/1098602718.db2.gz IYHMMZXGDMJDCZ-UHFFFAOYSA-N 0 3 314.429 3.080 20 10 DGCDHN CCOC(=O)C1CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997088 1098741128 /nfs/dbraw/zinc/74/11/28/1098741128.db2.gz RMIGGJDJGGJSSJ-UHFFFAOYSA-N 0 3 311.381 3.054 20 10 DGCDHN CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235002222 1098744862 /nfs/dbraw/zinc/74/48/62/1098744862.db2.gz YQKLYRFBQZYLDJ-SFHVURJKSA-N 0 3 324.424 3.160 20 10 DGCDHN CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235002222 1098744873 /nfs/dbraw/zinc/74/48/73/1098744873.db2.gz YQKLYRFBQZYLDJ-SFHVURJKSA-N 0 3 324.424 3.160 20 10 DGCDHN Cc1noc([C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C2)n1 ZINC001235677746 1099120155 /nfs/dbraw/zinc/12/01/55/1099120155.db2.gz GZCHRJLDDXZJFN-CQSZACIVSA-N 0 3 315.417 3.371 20 10 DGCDHN Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C2)n1 ZINC001235677746 1099120160 /nfs/dbraw/zinc/12/01/60/1099120160.db2.gz GZCHRJLDDXZJFN-CQSZACIVSA-N 0 3 315.417 3.371 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c([O-])c1 ZINC001235677717 1099120636 /nfs/dbraw/zinc/12/06/36/1099120636.db2.gz GMDJSLURVKVODV-MRXNPFEDSA-N 0 3 314.433 3.118 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c([O-])c1 ZINC001235677717 1099120638 /nfs/dbraw/zinc/12/06/38/1099120638.db2.gz GMDJSLURVKVODV-MRXNPFEDSA-N 0 3 314.433 3.118 20 10 DGCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679433 1099121562 /nfs/dbraw/zinc/12/15/62/1099121562.db2.gz ONGXJBUANXOLEA-UKRRQHHQSA-N 0 3 319.445 3.321 20 10 DGCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679433 1099121566 /nfs/dbraw/zinc/12/15/66/1099121566.db2.gz ONGXJBUANXOLEA-UKRRQHHQSA-N 0 3 319.445 3.321 20 10 DGCDHN [O-]c1ccc(F)cc1CN1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001235815867 1099193384 /nfs/dbraw/zinc/19/33/84/1099193384.db2.gz PMTBSGOOZSFJDE-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN CN(Cc1cc(Cl)c(Cl)cc1[O-])C[C@@H]1CCC[NH2+]C1 ZINC001235958213 1099289678 /nfs/dbraw/zinc/28/96/78/1099289678.db2.gz ZBQHSEYDTJXMSJ-SNVBAGLBSA-N 0 3 303.233 3.130 20 10 DGCDHN CCCN(Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C1CC1 ZINC001180326822 1099385486 /nfs/dbraw/zinc/38/54/86/1099385486.db2.gz SQWFNVKOTUMTKD-UHFFFAOYSA-N 0 3 318.392 3.478 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236115675 1099403237 /nfs/dbraw/zinc/40/32/37/1099403237.db2.gz GDFGHEBIBVBNMX-CYBMUJFWSA-N 0 3 308.834 3.254 20 10 DGCDHN CCCC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CC[NH2+]1 ZINC001236140360 1099426712 /nfs/dbraw/zinc/42/67/12/1099426712.db2.gz DUXCFGFRFRLWSK-CQSZACIVSA-N 0 3 316.367 3.375 20 10 DGCDHN COc1cc([O-])c(CN(CC[NH3+])Cc2ccccc2)cc1Cl ZINC001236523535 1099658639 /nfs/dbraw/zinc/65/86/39/1099658639.db2.gz GGTWJISUGVRSCJ-UHFFFAOYSA-N 0 3 320.820 3.015 20 10 DGCDHN CCC[N@H+](CC)Cc1cc(OC)c(Br)cc1[O-] ZINC001236745550 1099770258 /nfs/dbraw/zinc/77/02/58/1099770258.db2.gz PXVVWSRLRZGWJR-UHFFFAOYSA-N 0 3 302.212 3.395 20 10 DGCDHN CCC[N@@H+](CC)Cc1cc(OC)c(Br)cc1[O-] ZINC001236745550 1099770265 /nfs/dbraw/zinc/77/02/65/1099770265.db2.gz PXVVWSRLRZGWJR-UHFFFAOYSA-N 0 3 302.212 3.395 20 10 DGCDHN COc1cc(C[N@H+](C)CC2CCC2)c([O-])cc1Br ZINC001236753364 1099771212 /nfs/dbraw/zinc/77/12/12/1099771212.db2.gz MPZMEPKESDCPFG-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1cc(C[N@@H+](C)CC2CCC2)c([O-])cc1Br ZINC001236753364 1099771224 /nfs/dbraw/zinc/77/12/24/1099771224.db2.gz MPZMEPKESDCPFG-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC001236782294 1099781802 /nfs/dbraw/zinc/78/18/02/1099781802.db2.gz AFQAUOWQXDCUEF-HNNXBMFYSA-N 0 3 301.390 3.026 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC001236782294 1099781811 /nfs/dbraw/zinc/78/18/11/1099781811.db2.gz AFQAUOWQXDCUEF-HNNXBMFYSA-N 0 3 301.390 3.026 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC001236815890 1099804145 /nfs/dbraw/zinc/80/41/45/1099804145.db2.gz PGSFYTVAFRKICK-INIZCTEOSA-N 0 3 313.397 3.145 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC001236815890 1099804155 /nfs/dbraw/zinc/80/41/55/1099804155.db2.gz PGSFYTVAFRKICK-INIZCTEOSA-N 0 3 313.397 3.145 20 10 DGCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1)C1CC1 ZINC001236836096 1099823883 /nfs/dbraw/zinc/82/38/83/1099823883.db2.gz XORJRCQWLYEJLZ-GOSISDBHSA-N 0 3 324.424 3.036 20 10 DGCDHN O=C(N[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1)C1CC1 ZINC001236836096 1099823896 /nfs/dbraw/zinc/82/38/96/1099823896.db2.gz XORJRCQWLYEJLZ-GOSISDBHSA-N 0 3 324.424 3.036 20 10 DGCDHN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920030 1099878039 /nfs/dbraw/zinc/87/80/39/1099878039.db2.gz DFYGYHWVUYOXAZ-JLJPHGGASA-N 0 3 324.827 3.109 20 10 DGCDHN CC1CC(N(C)Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236923857 1099879612 /nfs/dbraw/zinc/87/96/12/1099879612.db2.gz IAWYBRDZCWELCR-UHFFFAOYSA-N 0 3 308.853 3.407 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c([O-])c1 ZINC001237041885 1099939687 /nfs/dbraw/zinc/93/96/87/1099939687.db2.gz OUYJEWCRMGPDRU-KRWDZBQOSA-N 0 3 312.413 3.393 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c([O-])c1 ZINC001237041885 1099939698 /nfs/dbraw/zinc/93/96/98/1099939698.db2.gz OUYJEWCRMGPDRU-KRWDZBQOSA-N 0 3 312.413 3.393 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC(n3nccc3C)CC2)c([O-])c1 ZINC001237047406 1099942588 /nfs/dbraw/zinc/94/25/88/1099942588.db2.gz WUJWLINGOKYMAQ-UHFFFAOYSA-N 0 3 315.417 3.133 20 10 DGCDHN CC(C)c1ccc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001237054979 1099948634 /nfs/dbraw/zinc/94/86/34/1099948634.db2.gz KNIMUKONHHFFKT-INIZCTEOSA-N 0 3 305.418 3.243 20 10 DGCDHN CC(C)c1ccc(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001237054979 1099948638 /nfs/dbraw/zinc/94/86/38/1099948638.db2.gz KNIMUKONHHFFKT-INIZCTEOSA-N 0 3 305.418 3.243 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CC2CC(C2)C1 ZINC001237063576 1099953586 /nfs/dbraw/zinc/95/35/86/1099953586.db2.gz VOCXAIPHHHXWAN-UHFFFAOYSA-N 0 3 301.308 3.175 20 10 DGCDHN CCOC1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138765 1099988362 /nfs/dbraw/zinc/98/83/62/1099988362.db2.gz GDTHCNFAPROEHE-UHFFFAOYSA-N 0 3 303.324 3.412 20 10 DGCDHN CCOC1CC[NH+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237138765 1099988371 /nfs/dbraw/zinc/98/83/71/1099988371.db2.gz GDTHCNFAPROEHE-UHFFFAOYSA-N 0 3 303.324 3.412 20 10 DGCDHN O=C1CCC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]12 ZINC001237143794 1099991568 /nfs/dbraw/zinc/99/15/68/1099991568.db2.gz OLOLQTGYJDPRRJ-GWCFXTLKSA-N 0 3 313.319 3.212 20 10 DGCDHN O=C1CCC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]12 ZINC001237143794 1099991575 /nfs/dbraw/zinc/99/15/75/1099991575.db2.gz OLOLQTGYJDPRRJ-GWCFXTLKSA-N 0 3 313.319 3.212 20 10 DGCDHN COC(CN(Cc1ccccc1)Cc1c(C)cccc1O)OC ZINC001237484903 1100138921 /nfs/dbraw/zinc/13/89/21/1100138921.db2.gz JTIOQULEVBYPQZ-UHFFFAOYSA-N 0 3 315.413 3.322 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001237485747 1100139149 /nfs/dbraw/zinc/13/91/49/1100139149.db2.gz RTPABBMROXYIKO-UHFFFAOYSA-N 0 3 312.413 3.387 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@@H]1O ZINC001237641236 1100200000 /nfs/dbraw/zinc/20/00/00/1100200000.db2.gz OXASWFNWEHSVAV-ACJLOTCBSA-N 0 3 315.388 3.401 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@@H]1O ZINC001237641236 1100200006 /nfs/dbraw/zinc/20/00/06/1100200006.db2.gz OXASWFNWEHSVAV-ACJLOTCBSA-N 0 3 315.388 3.401 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@H]1O ZINC001237641238 1100200035 /nfs/dbraw/zinc/20/00/35/1100200035.db2.gz OXASWFNWEHSVAV-SCLBCKFNSA-N 0 3 315.388 3.401 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@H]1O ZINC001237641238 1100200037 /nfs/dbraw/zinc/20/00/37/1100200037.db2.gz OXASWFNWEHSVAV-SCLBCKFNSA-N 0 3 315.388 3.401 20 10 DGCDHN COc1cc(CN2CCC(C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237668157 1100210828 /nfs/dbraw/zinc/21/08/28/1100210828.db2.gz ADPGFCXBOFAWQH-UHFFFAOYSA-N 0 3 319.323 3.184 20 10 DGCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c1[O-] ZINC001237681062 1100212226 /nfs/dbraw/zinc/21/22/26/1100212226.db2.gz KUHAHHVUTMOGEU-CQSZACIVSA-N 0 3 309.837 3.339 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c1[O-] ZINC001237688111 1100213967 /nfs/dbraw/zinc/21/39/67/1100213967.db2.gz FSXUMGDRLSGKTM-AWEZNQCLSA-N 0 3 311.809 3.081 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c1[O-] ZINC001237688111 1100213970 /nfs/dbraw/zinc/21/39/70/1100213970.db2.gz FSXUMGDRLSGKTM-AWEZNQCLSA-N 0 3 311.809 3.081 20 10 DGCDHN CN(Cc1ccc(N2CCCC2)cc1)Cc1cccc(C(N)=O)c1 ZINC001237694328 1100216546 /nfs/dbraw/zinc/21/65/46/1100216546.db2.gz BBULAXPXULINHJ-UHFFFAOYSA-N 0 3 323.440 3.018 20 10 DGCDHN CN(CCC[NH+]1CCCC1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237937804 1100297769 /nfs/dbraw/zinc/29/77/69/1100297769.db2.gz VEQVSZVQKSLXPO-UHFFFAOYSA-N 0 3 300.805 3.102 20 10 DGCDHN CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238070848 1100349625 /nfs/dbraw/zinc/34/96/25/1100349625.db2.gz PZBWWYJEWGVJBW-CYBMUJFWSA-N 0 3 309.381 3.005 20 10 DGCDHN CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238070848 1100349636 /nfs/dbraw/zinc/34/96/36/1100349636.db2.gz PZBWWYJEWGVJBW-CYBMUJFWSA-N 0 3 309.381 3.005 20 10 DGCDHN CC1(C)CO[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC001192012754 1100560810 /nfs/dbraw/zinc/56/08/10/1100560810.db2.gz JXWSEVNAYDYOAR-SJORKVTESA-N 0 3 319.445 3.188 20 10 DGCDHN CC1(C)CO[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC001192012754 1100560816 /nfs/dbraw/zinc/56/08/16/1100560816.db2.gz JXWSEVNAYDYOAR-SJORKVTESA-N 0 3 319.445 3.188 20 10 DGCDHN CC[C@@H](C)COC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001194829825 1101018002 /nfs/dbraw/zinc/01/80/02/1101018002.db2.gz HRGAPVGPRQFZFE-CQSZACIVSA-N 0 3 320.433 3.129 20 10 DGCDHN CN1CCC=C(c2ncnc3c2ccn3Cc2ccccc2)C1 ZINC001241565252 1101550195 /nfs/dbraw/zinc/55/01/95/1101550195.db2.gz IJBXVXWLBNFOHO-UHFFFAOYSA-N 0 3 304.397 3.199 20 10 DGCDHN C[C@H]1CCc2nc(CNCCc3ccc(N)cc3)sc2C1 ZINC001326073919 1103200349 /nfs/dbraw/zinc/20/03/49/1103200349.db2.gz BFDTWRYEFSQJEL-LBPRGKRZSA-N 0 3 301.459 3.182 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)C2CCCCC2)cc1 ZINC001326371973 1103293495 /nfs/dbraw/zinc/29/34/95/1103293495.db2.gz UQJYTLHIEJJDNP-GOSISDBHSA-N 0 3 317.477 3.057 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C/C=C/C2CC2)c1[O-] ZINC001327869627 1103748964 /nfs/dbraw/zinc/74/89/64/1103748964.db2.gz YRUVZOKHTNOEOB-NSCUHMNNSA-N 0 3 312.207 3.219 20 10 DGCDHN Cc1cc(N(C)C)ccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245427780 1104049407 /nfs/dbraw/zinc/04/94/07/1104049407.db2.gz NODZMAHYFQVZIG-QGZVFWFLSA-N 0 3 300.446 3.329 20 10 DGCDHN O=c1[nH]c2cc(CNCc3ccc(N4CCCC4)cc3)ccc2o1 ZINC001330793279 1104648174 /nfs/dbraw/zinc/64/81/74/1104648174.db2.gz HSGGBASZNPSRAR-UHFFFAOYSA-N 0 3 323.396 3.423 20 10 DGCDHN CN1CC[C@H]([N@H+](C)Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883944 1105186661 /nfs/dbraw/zinc/18/66/61/1105186661.db2.gz TYXOIVYKVTYCCQ-ZDUSSCGKSA-N 0 3 310.869 3.479 20 10 DGCDHN CN1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883944 1105186663 /nfs/dbraw/zinc/18/66/63/1105186663.db2.gz TYXOIVYKVTYCCQ-ZDUSSCGKSA-N 0 3 310.869 3.479 20 10 DGCDHN C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224388 1105249242 /nfs/dbraw/zinc/24/92/42/1105249242.db2.gz YHQLYOURHXNJTC-KGLIPLIRSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224388 1105249248 /nfs/dbraw/zinc/24/92/48/1105249248.db2.gz YHQLYOURHXNJTC-KGLIPLIRSA-N 0 3 317.429 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@](C)(O)CC3)ccc2O1 ZINC001249223436 1105250020 /nfs/dbraw/zinc/25/00/20/1105250020.db2.gz GGJSPPUSECEJGM-IBGZPJMESA-N 0 3 317.429 3.313 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@](C)(O)CC3)ccc2O1 ZINC001249223436 1105250025 /nfs/dbraw/zinc/25/00/25/1105250025.db2.gz GGJSPPUSECEJGM-IBGZPJMESA-N 0 3 317.429 3.313 20 10 DGCDHN C[C@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)[C@@H]1CO ZINC001249223613 1105250036 /nfs/dbraw/zinc/25/00/36/1105250036.db2.gz JRGGNYVHBDPGNV-XJKSGUPXSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)[C@@H]1CO ZINC001249223613 1105250039 /nfs/dbraw/zinc/25/00/39/1105250039.db2.gz JRGGNYVHBDPGNV-XJKSGUPXSA-N 0 3 317.429 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCCC4(COC4)C3)ccc2O1 ZINC001249230385 1105251500 /nfs/dbraw/zinc/25/15/00/1105251500.db2.gz FOXABYGMOKSJMG-UHFFFAOYSA-N 0 3 315.413 3.189 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCCC4(COC4)C3)ccc2O1 ZINC001249230385 1105251503 /nfs/dbraw/zinc/25/15/03/1105251503.db2.gz FOXABYGMOKSJMG-UHFFFAOYSA-N 0 3 315.413 3.189 20 10 DGCDHN C[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)CC1(C)COC1 ZINC001249245120 1105256473 /nfs/dbraw/zinc/25/64/73/1105256473.db2.gz YAIOVLUOCSZHKW-UHFFFAOYSA-N 0 3 303.402 3.045 20 10 DGCDHN C[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)CC1(C)COC1 ZINC001249245120 1105256478 /nfs/dbraw/zinc/25/64/78/1105256478.db2.gz YAIOVLUOCSZHKW-UHFFFAOYSA-N 0 3 303.402 3.045 20 10 DGCDHN [NH3+][C@H](Cc1nc(-c2cccc3occc32)no1)c1ccccc1[O-] ZINC001249339491 1105271654 /nfs/dbraw/zinc/27/16/54/1105271654.db2.gz LKWVTVIJOZZUJE-CQSZACIVSA-N 0 3 321.336 3.431 20 10 DGCDHN COc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)c([O-])c1Cl ZINC001206574185 1105437605 /nfs/dbraw/zinc/43/76/05/1105437605.db2.gz QCAKBYWXLWNQOY-MRXNPFEDSA-N 0 3 312.841 3.005 20 10 DGCDHN CCCCC[C@@H](O)CN1CCN(c2ccc(OC)cc2C)CC1 ZINC001253540867 1105954717 /nfs/dbraw/zinc/95/47/17/1105954717.db2.gz ICWGAPJXNWLEMA-QGZVFWFLSA-N 0 3 320.477 3.067 20 10 DGCDHN C[C@H]([NH2+]CCc1ccc(N(C)C)cc1)c1cc(F)ccc1[O-] ZINC001320119236 1106884608 /nfs/dbraw/zinc/88/46/08/1106884608.db2.gz YICDRMXSQGATFV-ZDUSSCGKSA-N 0 3 302.393 3.491 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCCCC(=O)OC(C)(C)C)c([O-])c1 ZINC001474668014 1107624592 /nfs/dbraw/zinc/62/45/92/1107624592.db2.gz NXHNBUBOLNBPCQ-UHFFFAOYSA-N 0 3 323.433 3.311 20 10 DGCDHN FC(F)CN1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323741915 1108072675 /nfs/dbraw/zinc/07/26/75/1108072675.db2.gz XMTLWPFLYHUWEF-UHFFFAOYSA-N 0 3 323.431 3.060 20 10 DGCDHN CCN(Cc1cc(C)[nH]n1)Cc1cc(Br)ccc1O ZINC001319716315 1108607152 /nfs/dbraw/zinc/60/71/52/1108607152.db2.gz GEVPSRCVYVVCBN-UHFFFAOYSA-N 0 3 324.222 3.208 20 10 DGCDHN CCc1cccc(CN2CCN(Cc3ccccc3)CC2)c1O ZINC001308559663 1111444892 /nfs/dbraw/zinc/44/48/92/1111444892.db2.gz GHRCHZGCDPPYFE-UHFFFAOYSA-N 0 3 310.441 3.272 20 10 DGCDHN COc1cc(C)c(CN[C@@H]2CCOc3ccc(F)cc32)c(O)c1 ZINC001308690889 1111461105 /nfs/dbraw/zinc/46/11/05/1111461105.db2.gz HCOLFWLHZVRWNA-MRXNPFEDSA-N 0 3 317.360 3.462 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c([O-])c1 ZINC001308938650 1111496247 /nfs/dbraw/zinc/49/62/47/1111496247.db2.gz OVNZYFIUFHDECJ-UZLBHIALSA-N 0 3 309.409 3.483 20 10 DGCDHN COc1cc(C)c(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c([O-])c1 ZINC001308938650 1111496250 /nfs/dbraw/zinc/49/62/50/1111496250.db2.gz OVNZYFIUFHDECJ-UZLBHIALSA-N 0 3 309.409 3.483 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000103855004 432012919 /nfs/dbraw/zinc/01/29/19/432012919.db2.gz KCRGDHPHKLFOER-MRXNPFEDSA-N 0 3 300.402 3.220 20 10 DGCDHN CCOc1cccc(CNCc2cccc(OCC)c2O)c1 ZINC000236951210 202089553 /nfs/dbraw/zinc/08/95/53/202089553.db2.gz DDSDTGKNUVNBTN-UHFFFAOYSA-N 0 3 301.386 3.479 20 10 DGCDHN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1)CC(F)(F)F ZINC000179582394 432064217 /nfs/dbraw/zinc/06/42/17/432064217.db2.gz YXKPLTPXCBBZHD-ZDUSSCGKSA-N 0 3 316.367 3.098 20 10 DGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1)CC(F)(F)F ZINC000179582394 432064219 /nfs/dbraw/zinc/06/42/19/432064219.db2.gz YXKPLTPXCBBZHD-ZDUSSCGKSA-N 0 3 316.367 3.098 20 10 DGCDHN O=C1CCCN1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000104656535 194022798 /nfs/dbraw/zinc/02/27/98/194022798.db2.gz PPUJNXLTBHTQLT-UHFFFAOYSA-N 0 3 324.424 3.132 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CC1CC(F)(F)C1)C[C@H]1CCCO1 ZINC000294877864 285397564 /nfs/dbraw/zinc/39/75/64/285397564.db2.gz FRJVIPPAVDFANL-OAHLLOKOSA-N 0 3 311.372 3.419 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CC1CC(F)(F)C1)C[C@H]1CCCO1 ZINC000294877864 285397565 /nfs/dbraw/zinc/39/75/65/285397565.db2.gz FRJVIPPAVDFANL-OAHLLOKOSA-N 0 3 311.372 3.419 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(F)ccc1[O-] ZINC000176981018 533451010 /nfs/dbraw/zinc/45/10/10/533451010.db2.gz JMXKRMGSFOECBI-LLVKDONJSA-N 0 3 303.333 3.153 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(N(C)C)c2)c1 ZINC000271854005 129972391 /nfs/dbraw/zinc/97/23/91/129972391.db2.gz RYLAHIPKQFWYIL-ZDUSSCGKSA-N 0 3 300.402 3.318 20 10 DGCDHN CCOc1cccc(CN[C@H](CCOC)c2ccco2)c1O ZINC000272560053 130042754 /nfs/dbraw/zinc/04/27/54/130042754.db2.gz NFTGKDBMKVUVMK-CQSZACIVSA-N 0 3 305.374 3.251 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000273343753 130110070 /nfs/dbraw/zinc/11/00/70/130110070.db2.gz AFIGOOHEDGDIKT-QWRGUYRKSA-N 0 3 304.394 3.054 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000273386990 130115549 /nfs/dbraw/zinc/11/55/49/130115549.db2.gz JSVCRSXJYIQCBU-HOCLYGCPSA-N 0 3 317.404 3.342 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c([O-])c1 ZINC000273405883 130117862 /nfs/dbraw/zinc/11/78/62/130117862.db2.gz OJUCXYQBZZGBHK-CQSZACIVSA-N 0 3 312.413 3.253 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000273490342 130128357 /nfs/dbraw/zinc/12/83/57/130128357.db2.gz OBSNIAGUIQUWLM-VNBZBWLYSA-N 0 3 319.376 3.313 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1[O-] ZINC000273750126 130162025 /nfs/dbraw/zinc/16/20/25/130162025.db2.gz NJTUJRAGBHBAFT-NSHDSACASA-N 0 3 321.808 3.157 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1[O-] ZINC000273750126 130162026 /nfs/dbraw/zinc/16/20/26/130162026.db2.gz NJTUJRAGBHBAFT-NSHDSACASA-N 0 3 321.808 3.157 20 10 DGCDHN COCCCOc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000285605339 131185067 /nfs/dbraw/zinc/18/50/67/131185067.db2.gz PSWDNLXOCUXTOL-UHFFFAOYSA-N 0 3 301.386 3.097 20 10 DGCDHN Cc1cnn(C)c1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000289001600 131350768 /nfs/dbraw/zinc/35/07/68/131350768.db2.gz DZGTVFXSPGBCQM-UHFFFAOYSA-N 0 3 300.450 3.205 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)CC2 ZINC000297239859 132005492 /nfs/dbraw/zinc/00/54/92/132005492.db2.gz ILXBOYVIHHQWLN-GFCCVEGCSA-N 0 3 306.312 3.166 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cccc(N3CCOCC3)c1)CC2 ZINC000297368702 132012929 /nfs/dbraw/zinc/01/29/29/132012929.db2.gz QJMQHRDOXKCEFB-SFHVURJKSA-N 0 3 324.424 3.006 20 10 DGCDHN Cc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc(N2CCCC2)n1 ZINC000297482251 132018272 /nfs/dbraw/zinc/01/82/72/132018272.db2.gz ZJFSIQKVRGSPKY-QGZVFWFLSA-N 0 3 323.440 3.473 20 10 DGCDHN COC1(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCC1 ZINC000292909727 292107078 /nfs/dbraw/zinc/10/70/78/292107078.db2.gz WWSFWZIWKYRVLK-QGZVFWFLSA-N 0 3 319.445 3.332 20 10 DGCDHN COC1(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCC1 ZINC000292909727 292107080 /nfs/dbraw/zinc/10/70/80/292107080.db2.gz WWSFWZIWKYRVLK-QGZVFWFLSA-N 0 3 319.445 3.332 20 10 DGCDHN CCCOc1ccc(C[NH+]2CCC(CC)(CO)CC2)c([O-])c1 ZINC000093592281 400249925 /nfs/dbraw/zinc/24/99/25/400249925.db2.gz LUYXLXWURHAULJ-UHFFFAOYSA-N 0 3 307.434 3.166 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000185026784 292165844 /nfs/dbraw/zinc/16/58/44/292165844.db2.gz XURUTKKASUEHHG-LBPRGKRZSA-N 0 3 304.356 3.235 20 10 DGCDHN COc1ccc(N2CCCN(CCC(F)(F)F)CC2)cc1 ZINC000077268238 400702583 /nfs/dbraw/zinc/70/25/83/400702583.db2.gz FGFNJIUCHPXIGY-UHFFFAOYSA-N 0 3 302.340 3.160 20 10 DGCDHN CC[C@H](NC[C@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000269078462 432152432 /nfs/dbraw/zinc/15/24/32/432152432.db2.gz YWKVLLFEAZSKHO-IRXDYDNUSA-N 0 3 302.418 3.428 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NC[C@H](O)c2ccc(C)o2)cc1 ZINC000268997171 432151531 /nfs/dbraw/zinc/15/15/31/432151531.db2.gz OBDBBVZWHVLOGP-YOEHRIQHSA-N 0 3 302.418 3.428 20 10 DGCDHN Nc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000269121251 432153370 /nfs/dbraw/zinc/15/33/70/432153370.db2.gz JXOPFNODYOXNBF-UHFFFAOYSA-N 0 3 309.413 3.120 20 10 DGCDHN CC[C@@H](NC[C@@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000269078460 432153938 /nfs/dbraw/zinc/15/39/38/432153938.db2.gz YWKVLLFEAZSKHO-IAGOWNOFSA-N 0 3 302.418 3.428 20 10 DGCDHN COCc1ccc([C@H]2CCCN2Cc2cc(OC)ccc2O)o1 ZINC000137072874 432169197 /nfs/dbraw/zinc/16/91/97/432169197.db2.gz STWWLMMIXFCRSA-MRXNPFEDSA-N 0 3 317.385 3.477 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000270090843 432227786 /nfs/dbraw/zinc/22/77/86/432227786.db2.gz KRGGLWZNOGDDFQ-YEJXKQKISA-N 0 3 303.427 3.289 20 10 DGCDHN Cc1ccc(O)c(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000270090843 432227789 /nfs/dbraw/zinc/22/77/89/432227789.db2.gz KRGGLWZNOGDDFQ-YEJXKQKISA-N 0 3 303.427 3.289 20 10 DGCDHN C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183722824 228374943 /nfs/dbraw/zinc/37/49/43/228374943.db2.gz YXKZJNWMUJTIRC-ZDUSSCGKSA-N 0 3 308.422 3.348 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000184988484 228388011 /nfs/dbraw/zinc/38/80/11/228388011.db2.gz GOPXVSFJVVXUOM-AWEZNQCLSA-N 0 3 308.385 3.132 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1cnn(CC(F)F)c1 ZINC000353261364 229273332 /nfs/dbraw/zinc/27/33/32/229273332.db2.gz YYAWGHFGPRJKRS-UHFFFAOYSA-N 0 3 318.371 3.238 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1ccc2c(c1)nnn2C ZINC000355129890 229304248 /nfs/dbraw/zinc/30/42/48/229304248.db2.gz XKKQUSSFAKIHMI-UHFFFAOYSA-N 0 3 319.412 3.058 20 10 DGCDHN COc1ccc2c(c1)CC[N@@H+](Cc1cccc(OC)c1[O-])CC2 ZINC000375533928 274123457 /nfs/dbraw/zinc/12/34/57/274123457.db2.gz MFUVDDJCEMXMIA-UHFFFAOYSA-N 0 3 313.397 3.010 20 10 DGCDHN COc1ccc2c(c1)CC[N@H+](Cc1cccc(OC)c1[O-])CC2 ZINC000375533928 274123462 /nfs/dbraw/zinc/12/34/62/274123462.db2.gz MFUVDDJCEMXMIA-UHFFFAOYSA-N 0 3 313.397 3.010 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1ccncc1)C[C@H]1CCCO1 ZINC000112600312 275061618 /nfs/dbraw/zinc/06/16/18/275061618.db2.gz MOGKVKPDJPIMBF-GOSISDBHSA-N 0 3 312.413 3.011 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1ccncc1)C[C@H]1CCCO1 ZINC000112600312 275061619 /nfs/dbraw/zinc/06/16/19/275061619.db2.gz MOGKVKPDJPIMBF-GOSISDBHSA-N 0 3 312.413 3.011 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000292796028 276379582 /nfs/dbraw/zinc/37/95/82/276379582.db2.gz MWHHQNLLOJRYOT-INIZCTEOSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000292796028 276379585 /nfs/dbraw/zinc/37/95/85/276379585.db2.gz MWHHQNLLOJRYOT-INIZCTEOSA-N 0 3 305.418 3.039 20 10 DGCDHN C[C@@H](N[C@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000283376167 278389244 /nfs/dbraw/zinc/38/92/44/278389244.db2.gz OJHGVBVBWSVBLX-WBMJQRKESA-N 0 3 324.465 3.207 20 10 DGCDHN CC(C)(C)OCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000109761543 431177814 /nfs/dbraw/zinc/17/78/14/431177814.db2.gz RVQGVUDWUPTTJP-INIZCTEOSA-N 0 3 307.434 3.188 20 10 DGCDHN CC(C)(C)OCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000109761543 431177818 /nfs/dbraw/zinc/17/78/18/431177818.db2.gz RVQGVUDWUPTTJP-INIZCTEOSA-N 0 3 307.434 3.188 20 10 DGCDHN C[C@@H](N[C@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000112536850 431281895 /nfs/dbraw/zinc/28/18/95/431281895.db2.gz XCHZQODFEIIBPO-HZPDHXFCSA-N 0 3 311.429 3.330 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@](C)(CO)C2CCCCC2)c1[O-] ZINC000265760651 279970381 /nfs/dbraw/zinc/97/03/81/279970381.db2.gz JRUHUPJTSVZWTL-SFHVURJKSA-N 0 3 307.434 3.212 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000121091633 431743158 /nfs/dbraw/zinc/74/31/58/431743158.db2.gz GVVDJHLHXZTNDB-FUHWJXTLSA-N 0 3 301.386 3.175 20 10 DGCDHN Cc1cc(O)c(CN2CCNC(=O)C[C@@H]2c2ccccc2)cc1C ZINC000122031234 431810843 /nfs/dbraw/zinc/81/08/43/431810843.db2.gz CIGUSYWBRCSWEZ-GOSISDBHSA-N 0 3 324.424 3.072 20 10 DGCDHN CCOc1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1[O-] ZINC000093705031 431917174 /nfs/dbraw/zinc/91/71/74/431917174.db2.gz NCXVJKUWCMEVAB-UHFFFAOYSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc(O)c(CN(C)[C@H]2CCCc3c2cnn3C)c1 ZINC000093864282 431918936 /nfs/dbraw/zinc/91/89/36/431918936.db2.gz NWHXSLRPZAOTEY-INIZCTEOSA-N 0 3 315.417 3.034 20 10 DGCDHN CCN(CC)c1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000091856780 431906723 /nfs/dbraw/zinc/90/67/23/431906723.db2.gz KLOPYCHTQYNVQC-ROUUACIJSA-N 0 3 320.502 3.239 20 10 DGCDHN Cc1cc(O)c(CN2CCCN(CC(F)(F)F)CC2)cc1C ZINC000151783909 432275241 /nfs/dbraw/zinc/27/52/41/432275241.db2.gz NQHWHHLQLIYUIO-UHFFFAOYSA-N 0 3 316.367 3.079 20 10 DGCDHN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183568981 432303703 /nfs/dbraw/zinc/30/37/03/432303703.db2.gz SRWVAQSFTSHIFW-DYVFJYSZSA-N 0 3 301.386 3.175 20 10 DGCDHN CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183425995 432293330 /nfs/dbraw/zinc/29/33/30/432293330.db2.gz XCEVCMUTFLGSNU-AWEZNQCLSA-N 0 3 312.413 3.383 20 10 DGCDHN C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000183544339 432302480 /nfs/dbraw/zinc/30/24/80/432302480.db2.gz IVKJKFJGOTXFMM-CQSZACIVSA-N 0 3 302.393 3.314 20 10 DGCDHN CN(C)c1ccc(CN2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC000271147412 432337215 /nfs/dbraw/zinc/33/72/15/432337215.db2.gz IJPSDMHHBSUBTL-UHFFFAOYSA-N 0 3 318.461 3.306 20 10 DGCDHN CN(C)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271177724 432346332 /nfs/dbraw/zinc/34/63/32/432346332.db2.gz KSSSFMUQZYDWEB-MRXNPFEDSA-N 0 3 310.441 3.443 20 10 DGCDHN CN(C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271177724 432346335 /nfs/dbraw/zinc/34/63/35/432346335.db2.gz KSSSFMUQZYDWEB-MRXNPFEDSA-N 0 3 310.441 3.443 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)c1[O-] ZINC000271331575 432376497 /nfs/dbraw/zinc/37/64/97/432376497.db2.gz FQGDJBSWUDWAKD-XIKOKIGWSA-N 0 3 319.376 3.406 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000271440198 432396212 /nfs/dbraw/zinc/39/62/12/432396212.db2.gz RRJKIRJDOURHAF-UKRRQHHQSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000271440198 432396217 /nfs/dbraw/zinc/39/62/17/432396217.db2.gz RRJKIRJDOURHAF-UKRRQHHQSA-N 0 3 320.433 3.127 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NC[C@](C)(O)C(F)(F)F)cc1 ZINC000271491089 432406863 /nfs/dbraw/zinc/40/68/63/432406863.db2.gz KUBCALNAESEEDC-RISCZKNCSA-N 0 3 304.356 3.107 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c1 ZINC000184916168 432445407 /nfs/dbraw/zinc/44/54/07/432445407.db2.gz SWKUQKUKYGGNPG-GFCCVEGCSA-N 0 3 314.385 3.210 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(NC(C)=O)cc2)c1 ZINC000184916168 432445409 /nfs/dbraw/zinc/44/54/09/432445409.db2.gz SWKUQKUKYGGNPG-GFCCVEGCSA-N 0 3 314.385 3.210 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(F)ccc1[O-] ZINC000184984461 432453246 /nfs/dbraw/zinc/45/32/46/432453246.db2.gz CZVNAEGJMWDARV-ZDUSSCGKSA-N 0 3 315.392 3.377 20 10 DGCDHN C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000271640819 432421638 /nfs/dbraw/zinc/42/16/38/432421638.db2.gz DSYRLFOIGJJJOC-WMLDXEAASA-N 0 3 304.434 3.089 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccccc1[O-] ZINC000271689735 432421833 /nfs/dbraw/zinc/42/18/33/432421833.db2.gz KAPLHWMKPCLYFM-FUHWJXTLSA-N 0 3 301.386 3.175 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000185206724 432477194 /nfs/dbraw/zinc/47/71/94/432477194.db2.gz SFFWNLMLNYQFHO-IXDOHACOSA-N 0 3 320.477 3.241 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000185214959 432478118 /nfs/dbraw/zinc/47/81/18/432478118.db2.gz MJMNTUFRVWTSCR-HNNXBMFYSA-N 0 3 318.461 3.388 20 10 DGCDHN C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC(C)(C)C ZINC000185218011 432479670 /nfs/dbraw/zinc/47/96/70/432479670.db2.gz DJHKBUPALAPOAE-CHWSQXEVSA-N 0 3 318.461 3.225 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000185232425 432480693 /nfs/dbraw/zinc/48/06/93/432480693.db2.gz LNZLHXPXCQCHIB-LBPRGKRZSA-N 0 3 318.392 3.457 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000185232425 432480695 /nfs/dbraw/zinc/48/06/95/432480695.db2.gz LNZLHXPXCQCHIB-LBPRGKRZSA-N 0 3 318.392 3.457 20 10 DGCDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cc(C)ccc1O ZINC000185350542 432494484 /nfs/dbraw/zinc/49/44/84/432494484.db2.gz YHNCRXRWUDNDHA-LBPRGKRZSA-N 0 3 316.357 3.468 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185442628 432500968 /nfs/dbraw/zinc/50/09/68/432500968.db2.gz YSYQAWHYVZFTNH-UONOGXRCSA-N 0 3 320.433 3.361 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464154 432501969 /nfs/dbraw/zinc/50/19/69/432501969.db2.gz BWUFORWYRUTNCC-GDBMZVCRSA-N 0 3 324.424 3.436 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000185468488 432504190 /nfs/dbraw/zinc/50/41/90/432504190.db2.gz RFLODBQJAXSQFW-FMTVUPSXSA-N 0 3 319.376 3.313 20 10 DGCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000185129447 432470174 /nfs/dbraw/zinc/47/01/74/432470174.db2.gz YXORFANWWOHOKT-HOTGVXAUSA-N 0 3 315.413 3.100 20 10 DGCDHN C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000186166118 432565285 /nfs/dbraw/zinc/56/52/85/432565285.db2.gz FLUYDYBYOUISHH-KZULUSFZSA-N 0 3 301.361 3.016 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136236 432562066 /nfs/dbraw/zinc/56/20/66/432562066.db2.gz IXMSDKDPYGHRFX-GRDNDAEWSA-N 0 3 307.459 3.406 20 10 DGCDHN COc1cccc(CNCc2cccc(OC(C)C)c2)c1O ZINC000263660326 432562726 /nfs/dbraw/zinc/56/27/26/432562726.db2.gz HFEVZMWAQNEYOU-UHFFFAOYSA-N 0 3 301.386 3.478 20 10 DGCDHN CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000185582774 432513999 /nfs/dbraw/zinc/51/39/99/432513999.db2.gz UPKYNXXVGJZPMS-CYBMUJFWSA-N 0 3 309.381 3.085 20 10 DGCDHN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000185582774 432514002 /nfs/dbraw/zinc/51/40/02/432514002.db2.gz UPKYNXXVGJZPMS-CYBMUJFWSA-N 0 3 309.381 3.085 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000185812772 432535725 /nfs/dbraw/zinc/53/57/25/432535725.db2.gz KAACORXIBABBHC-PBHICJAKSA-N 0 3 310.397 3.157 20 10 DGCDHN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185827251 432537163 /nfs/dbraw/zinc/53/71/63/432537163.db2.gz OAIAEYVYEDYWBO-PXAZEXFGSA-N 0 3 319.376 3.314 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1 ZINC000155086813 432538189 /nfs/dbraw/zinc/53/81/89/432538189.db2.gz KFQUXQSHGHUNLZ-QGZVFWFLSA-N 0 3 321.804 3.052 20 10 DGCDHN CCc1nn(C)c(CC)c1CN[C@@H](C)c1cc(C)ccc1O ZINC000186176804 432565016 /nfs/dbraw/zinc/56/50/16/432565016.db2.gz FVOLDSFYPYOHDK-ZDUSSCGKSA-N 0 3 301.434 3.410 20 10 DGCDHN CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000186176804 432565017 /nfs/dbraw/zinc/56/50/17/432565017.db2.gz FVOLDSFYPYOHDK-ZDUSSCGKSA-N 0 3 301.434 3.410 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@H](CCO)c2ccccc2)c1 ZINC000273467165 432603072 /nfs/dbraw/zinc/60/30/72/432603072.db2.gz FAHJTUXWGVGPBL-SUMWQHHRSA-N 0 3 301.386 3.175 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000273467165 432603076 /nfs/dbraw/zinc/60/30/76/432603076.db2.gz FAHJTUXWGVGPBL-SUMWQHHRSA-N 0 3 301.386 3.175 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(C(C)C)CC2)c1[O-] ZINC000228670186 432719776 /nfs/dbraw/zinc/71/97/76/432719776.db2.gz OWAKEJNACBHQRV-UHFFFAOYSA-N 0 3 312.841 3.017 20 10 DGCDHN CN(C)c1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1F ZINC000275959126 432763395 /nfs/dbraw/zinc/76/33/95/432763395.db2.gz JZXLVGJGOSFQNO-SFHVURJKSA-N 0 3 306.425 3.283 20 10 DGCDHN Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2)n[nH]1 ZINC000275987982 432765108 /nfs/dbraw/zinc/76/51/08/432765108.db2.gz YXIQCJPKBJLABZ-AWEZNQCLSA-N 0 3 314.433 3.052 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]C(CC)(CC)CC(=O)OC)c1 ZINC000267223924 432824734 /nfs/dbraw/zinc/82/47/34/432824734.db2.gz DNFPIDHFAOAXEO-UHFFFAOYSA-N 0 3 309.406 3.002 20 10 DGCDHN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc2c(cc1O)OCO2 ZINC000276277839 432790869 /nfs/dbraw/zinc/79/08/69/432790869.db2.gz YWXMMMPSFKBNCK-ZDUSSCGKSA-N 0 3 317.307 3.284 20 10 DGCDHN Cc1noc(C[C@H](NCc2cc(C)ccc2O)c2ccccc2)n1 ZINC000277756633 432874456 /nfs/dbraw/zinc/87/44/56/432874456.db2.gz WTQDQCXYHDNKNO-KRWDZBQOSA-N 0 3 323.396 3.466 20 10 DGCDHN COCCOc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296200080 432882323 /nfs/dbraw/zinc/88/23/23/432882323.db2.gz YXPNDJFPOXCKIH-INIZCTEOSA-N 0 3 313.397 3.195 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)CC2 ZINC000296240654 432887606 /nfs/dbraw/zinc/88/76/06/432887606.db2.gz ATCKIEUGYGVTPQ-GOEBONIOSA-N 0 3 303.789 3.356 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)CC2 ZINC000296247275 432888807 /nfs/dbraw/zinc/88/88/07/432888807.db2.gz BCEYGGXIDIWEES-HOCLYGCPSA-N 0 3 321.779 3.495 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCC(O)(c3cccnc3)CC1)CC2 ZINC000296588555 432923207 /nfs/dbraw/zinc/92/32/07/432923207.db2.gz WSBPJEUXXXPUHG-OHTSDLOESA-N 0 3 324.424 3.195 20 10 DGCDHN CC[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)NC(=O)OC(C)(C)C ZINC000296571284 432923327 /nfs/dbraw/zinc/92/33/27/432923327.db2.gz SWXIDACTFLHHCO-KGLIPLIRSA-N 0 3 320.433 3.272 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOc1ccc(Cl)cn1)CC2 ZINC000296916204 432939115 /nfs/dbraw/zinc/93/91/15/432939115.db2.gz PMGUTPXHAYUIJV-ZDUSSCGKSA-N 0 3 304.777 3.097 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c([O-])c1C ZINC000278778204 432900794 /nfs/dbraw/zinc/90/07/94/432900794.db2.gz YECNSVDHBIZTHE-RDJZCZTQSA-N 0 3 320.477 3.161 20 10 DGCDHN CCOc1cccc(CN2CCC=C(c3ccncc3)C2)c1O ZINC000289634827 432970706 /nfs/dbraw/zinc/97/07/06/432970706.db2.gz MDNIBHQUPSBXGT-UHFFFAOYSA-N 0 3 310.397 3.475 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC=C(c3ccncc3)C2)c1[O-] ZINC000289634827 432970709 /nfs/dbraw/zinc/97/07/09/432970709.db2.gz MDNIBHQUPSBXGT-UHFFFAOYSA-N 0 3 310.397 3.475 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC=C(c3ccncc3)C2)c1[O-] ZINC000289634827 432970715 /nfs/dbraw/zinc/97/07/15/432970715.db2.gz MDNIBHQUPSBXGT-UHFFFAOYSA-N 0 3 310.397 3.475 20 10 DGCDHN CCC[N@H+](CCc1ccccn1)Cc1cc(OC)ccc1[O-] ZINC000289802330 432975079 /nfs/dbraw/zinc/97/50/79/432975079.db2.gz MVZWCDSOTYKXDW-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN CCC[N@@H+](CCc1ccccn1)Cc1cc(OC)ccc1[O-] ZINC000289802330 432975083 /nfs/dbraw/zinc/97/50/83/432975083.db2.gz MVZWCDSOTYKXDW-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[O-] ZINC000289915117 432978460 /nfs/dbraw/zinc/97/84/60/432978460.db2.gz VHVRPNVRUQAKPW-SWLSCSKDSA-N 0 3 324.852 3.113 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(NC(N)=O)cc1 ZINC000297581043 432998611 /nfs/dbraw/zinc/99/86/11/432998611.db2.gz HCXLWMASWJBAHC-XHDPSFHLSA-N 0 3 311.385 3.221 20 10 DGCDHN CC[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000280028722 432998927 /nfs/dbraw/zinc/99/89/27/432998927.db2.gz HYFPYDXDIDBHFQ-NVXWUHKLSA-N 0 3 307.434 3.327 20 10 DGCDHN CC[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(C)cc1[O-] ZINC000280207916 433014842 /nfs/dbraw/zinc/01/48/42/433014842.db2.gz TXKWLLOXJFGKOI-INIZCTEOSA-N 0 3 304.434 3.144 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CCOCc2ccccc2)c1 ZINC000290284990 433025520 /nfs/dbraw/zinc/02/55/20/433025520.db2.gz ZMMSHIBZEFRMHB-HNNXBMFYSA-N 0 3 315.413 3.486 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1[O-] ZINC000290347219 433036054 /nfs/dbraw/zinc/03/60/54/433036054.db2.gz FWECSNNYSJKZMH-HYVNUMGLSA-N 0 3 315.800 3.482 20 10 DGCDHN C=Cc1ccc(CC[NH2+]Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000291050450 433216042 /nfs/dbraw/zinc/21/60/42/433216042.db2.gz NCDXREZZGIJFPG-UHFFFAOYSA-N 0 3 313.397 3.385 20 10 DGCDHN CCOc1ccc(O)c(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000291542614 433265590 /nfs/dbraw/zinc/26/55/90/433265590.db2.gz LKLVJNYKPSCJCE-DLBZAZTESA-N 0 3 305.418 3.180 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000281158236 433268074 /nfs/dbraw/zinc/26/80/74/433268074.db2.gz BGIJTGIURHAGRH-CYBMUJFWSA-N 0 3 317.458 3.477 20 10 DGCDHN COC[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000375096242 433361179 /nfs/dbraw/zinc/36/11/79/433361179.db2.gz DKJGWQIOAHIKLD-LBPRGKRZSA-N 0 3 313.825 3.303 20 10 DGCDHN COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000375096242 433361188 /nfs/dbraw/zinc/36/11/88/433361188.db2.gz DKJGWQIOAHIKLD-LBPRGKRZSA-N 0 3 313.825 3.303 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3nccs3)CC2)c([O-])c1 ZINC000281648361 433336229 /nfs/dbraw/zinc/33/62/29/433336229.db2.gz PLQRFDHUNMQLGW-ZDUSSCGKSA-N 0 3 317.458 3.477 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1[O-] ZINC000375647668 433517354 /nfs/dbraw/zinc/51/73/54/433517354.db2.gz FKQXDQAUKITCCJ-WBVHZDCISA-N 0 3 311.429 3.397 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1[O-] ZINC000283374796 433711142 /nfs/dbraw/zinc/71/11/42/433711142.db2.gz OHCUTICLQFDTSP-UWWQBHOKSA-N 0 3 319.445 3.001 20 10 DGCDHN C[C@H](N[C@@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000283376160 433712335 /nfs/dbraw/zinc/71/23/35/433712335.db2.gz OJHGVBVBWSVBLX-BLLLJJGKSA-N 0 3 324.465 3.207 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)c([O-])c1 ZINC000293630681 433805490 /nfs/dbraw/zinc/80/54/90/433805490.db2.gz HNORCKDQGKGDFM-JKSUJKDBSA-N 0 3 307.434 3.245 20 10 DGCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293794845 433872153 /nfs/dbraw/zinc/87/21/53/433872153.db2.gz UPACSVFMBKLPKF-DZGCQCFKSA-N 0 3 306.450 3.212 20 10 DGCDHN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])cn1 ZINC000285400635 433936859 /nfs/dbraw/zinc/93/68/59/433936859.db2.gz XDRMGQDRQULCHZ-ZDUSSCGKSA-N 0 3 313.401 3.213 20 10 DGCDHN COCC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CCOCC1 ZINC000294400758 434110679 /nfs/dbraw/zinc/11/06/79/434110679.db2.gz SLXKUSADJKTYQC-HNNXBMFYSA-N 0 3 307.434 3.103 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c([O-])c1 ZINC000363870180 434173488 /nfs/dbraw/zinc/17/34/88/434173488.db2.gz VZAMCFUWPHTVRF-AWEZNQCLSA-N 0 3 308.385 3.132 20 10 DGCDHN CCOc1cccc(CN2CCC[C@H](OCC3CC3)C2)c1O ZINC000364462551 434271742 /nfs/dbraw/zinc/27/17/42/434271742.db2.gz LYTYBVHIRBYMSN-INIZCTEOSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1[O-] ZINC000364462551 434271755 /nfs/dbraw/zinc/27/17/55/434271755.db2.gz LYTYBVHIRBYMSN-INIZCTEOSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1[O-] ZINC000364462551 434271762 /nfs/dbraw/zinc/27/17/62/434271762.db2.gz LYTYBVHIRBYMSN-INIZCTEOSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000370725249 434619136 /nfs/dbraw/zinc/61/91/36/434619136.db2.gz QKNRSEOBZYGNBZ-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000370725249 434619145 /nfs/dbraw/zinc/61/91/45/434619145.db2.gz QKNRSEOBZYGNBZ-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CN(C)Cc3ccccc32)c1 ZINC000370376189 434610972 /nfs/dbraw/zinc/61/09/72/434610972.db2.gz XDDZTXHKNZYWNC-ACJLOTCBSA-N 0 3 312.413 3.238 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000371869752 434763669 /nfs/dbraw/zinc/76/36/69/434763669.db2.gz KEVJZJSOSWXRIO-SGTLLEGYSA-N 0 3 301.361 3.496 20 10 DGCDHN CCOc1cccc(CN[C@H]2CN(C)Cc3ccccc32)c1O ZINC000361171391 434820017 /nfs/dbraw/zinc/82/00/17/434820017.db2.gz UHPWUVRWJLPEMY-KRWDZBQOSA-N 0 3 312.413 3.067 20 10 DGCDHN COc1cccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])OC)c1 ZINC000527920595 435017339 /nfs/dbraw/zinc/01/73/39/435017339.db2.gz NYSBLEYQLMETAZ-UGSOOPFHSA-N 0 3 301.386 3.439 20 10 DGCDHN CCc1cccc2c1N(C(=O)c1cccc3c1CCNC3)CC2 ZINC000662548740 436361998 /nfs/dbraw/zinc/36/19/98/436361998.db2.gz KCJOVTYOYAGIMV-UHFFFAOYSA-N 0 3 306.409 3.098 20 10 DGCDHN CCN(C(=O)c1cccc2c1CCNC2)c1cccc(OC)c1 ZINC000662498694 436356751 /nfs/dbraw/zinc/35/67/51/436356751.db2.gz KOXXBCXOVQKEAB-UHFFFAOYSA-N 0 3 310.397 3.008 20 10 DGCDHN CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185177713 333204893 /nfs/dbraw/zinc/20/48/93/333204893.db2.gz KURPUGOVVSJWJP-LBPRGKRZSA-N 0 3 316.376 3.132 20 10 DGCDHN CCNC(=O)c1cccc(CN[C@H](C)c2cc(C)ccc2O)c1 ZINC000185177262 333204928 /nfs/dbraw/zinc/20/49/28/333204928.db2.gz NNPMCMSCINWFKU-CQSZACIVSA-N 0 3 312.413 3.301 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c([O-])c1 ZINC000185184393 333205213 /nfs/dbraw/zinc/20/52/13/333205213.db2.gz ZLBQVIREFXGLIN-LSDHHAIUSA-N 0 3 312.413 3.056 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c([O-])c1 ZINC000185184344 333205283 /nfs/dbraw/zinc/20/52/83/333205283.db2.gz ZLBQVIREFXGLIN-CABCVRRESA-N 0 3 312.413 3.056 20 10 DGCDHN CC(C)c1nc(C2CC[NH+](Cc3ccccc3[O-])CC2)no1 ZINC000272338230 334033497 /nfs/dbraw/zinc/03/34/97/334033497.db2.gz XZHQHKANSLPJNQ-UHFFFAOYSA-N 0 3 301.390 3.278 20 10 DGCDHN COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2[O-])c(C)c1OC ZINC000286244085 334152219 /nfs/dbraw/zinc/15/22/19/334152219.db2.gz UBPTZHZYRHTVHE-CYBMUJFWSA-N 0 3 315.413 3.439 20 10 DGCDHN Cc1ccc([C@H](C)N[C@@H]2Cc3ccccc3NC2=O)c(O)c1C ZINC000528001801 337779565 /nfs/dbraw/zinc/77/95/65/337779565.db2.gz PWUOJJHLIJFDGB-SUMWQHHRSA-N 0 3 310.397 3.223 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C12CCC2 ZINC000185551407 520434777 /nfs/dbraw/zinc/43/47/77/520434777.db2.gz XEDYHEJUJUTLFK-AFAVFJNCSA-N 0 3 305.418 3.399 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC(C3OCCO3)CC2)cc1 ZINC000130120185 520893058 /nfs/dbraw/zinc/89/30/58/520893058.db2.gz SOHVMYRMENMYMX-UHFFFAOYSA-N 0 3 318.461 3.118 20 10 DGCDHN CCc1nn(C)c(CC)c1C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156923405 522661267 /nfs/dbraw/zinc/66/12/67/522661267.db2.gz LSRDTWKYEBNVKO-HNNXBMFYSA-N 0 3 301.434 3.491 20 10 DGCDHN CO[C@H](C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000191204594 523884530 /nfs/dbraw/zinc/88/45/30/523884530.db2.gz NYRYPEDAEHJSAE-CQSZACIVSA-N 0 3 301.386 3.096 20 10 DGCDHN Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000180217973 524379871 /nfs/dbraw/zinc/37/98/71/524379871.db2.gz RMXIQKBXIQUVQQ-CYBMUJFWSA-N 0 3 308.422 3.046 20 10 DGCDHN Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000180217973 524379881 /nfs/dbraw/zinc/37/98/81/524379881.db2.gz RMXIQKBXIQUVQQ-CYBMUJFWSA-N 0 3 308.422 3.046 20 10 DGCDHN Cc1cccc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000180217973 524379888 /nfs/dbraw/zinc/37/98/88/524379888.db2.gz RMXIQKBXIQUVQQ-CYBMUJFWSA-N 0 3 308.422 3.046 20 10 DGCDHN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000156041257 524500925 /nfs/dbraw/zinc/50/09/25/524500925.db2.gz LWHWVBQDHMIGEF-CQSZACIVSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000156041257 524500930 /nfs/dbraw/zinc/50/09/30/524500930.db2.gz LWHWVBQDHMIGEF-CQSZACIVSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOc2cccc(F)c2)c1 ZINC000182366078 524769033 /nfs/dbraw/zinc/76/90/33/524769033.db2.gz MCDGARNMIWQNLE-LBPRGKRZSA-N 0 3 305.349 3.270 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cc1C ZINC000267251122 525323298 /nfs/dbraw/zinc/32/32/98/525323298.db2.gz ZLEKLLVGRZDITA-UGSOOPFHSA-N 0 3 303.377 3.360 20 10 DGCDHN C[C@@H](NCCC(=O)N1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000129050455 525428353 /nfs/dbraw/zinc/42/83/53/525428353.db2.gz FHERCNDYWQBVLK-MRXNPFEDSA-N 0 3 317.477 3.196 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000267061861 526337860 /nfs/dbraw/zinc/33/78/60/526337860.db2.gz PHLNRCIWRATYGC-GOSISDBHSA-N 0 3 315.438 3.017 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000180724226 526348045 /nfs/dbraw/zinc/34/80/45/526348045.db2.gz FYHYNKJRCWFPMC-UHFFFAOYSA-N 0 3 319.351 3.466 20 10 DGCDHN CC(=O)Nc1cccc2c1CCN(Cc1cc(C)ccc1O)C2 ZINC000179531802 527085854 /nfs/dbraw/zinc/08/58/54/527085854.db2.gz VJRCWEUFBWRHOP-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000730807119 574536501 /nfs/dbraw/zinc/53/65/01/574536501.db2.gz NJLQLOSPNIQXIK-INIZCTEOSA-N 0 3 311.429 3.001 20 10 DGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000730807119 574536502 /nfs/dbraw/zinc/53/65/02/574536502.db2.gz NJLQLOSPNIQXIK-INIZCTEOSA-N 0 3 311.429 3.001 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1cn2cccnc2n1)C1CCCC1 ZINC000732204986 574568009 /nfs/dbraw/zinc/56/80/09/574568009.db2.gz WTWXVWFTAACZQQ-UHFFFAOYSA-N 0 3 322.412 3.380 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1cn2cccnc2n1)C1CCCC1 ZINC000732204986 574568010 /nfs/dbraw/zinc/56/80/10/574568010.db2.gz WTWXVWFTAACZQQ-UHFFFAOYSA-N 0 3 322.412 3.380 20 10 DGCDHN CN(C)CCOc1ccc(N(C)Cc2ccc(Cl)nc2)cc1 ZINC000732410515 574573946 /nfs/dbraw/zinc/57/39/46/574573946.db2.gz CSKJIVDJDZFTEB-UHFFFAOYSA-N 0 3 319.836 3.312 20 10 DGCDHN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(CC)CC ZINC000736004372 574725693 /nfs/dbraw/zinc/72/56/93/574725693.db2.gz UCRKMZOICVJBMV-GOSISDBHSA-N 0 3 319.493 3.269 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCOC[C@@H]1CCCO1)C1CCCC1 ZINC000741248692 574954171 /nfs/dbraw/zinc/95/41/71/574954171.db2.gz BDSRIBQNZFBXAM-SFHVURJKSA-N 0 3 319.445 3.332 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCOC[C@@H]1CCCO1)C1CCCC1 ZINC000741248692 574954173 /nfs/dbraw/zinc/95/41/73/574954173.db2.gz BDSRIBQNZFBXAM-SFHVURJKSA-N 0 3 319.445 3.332 20 10 DGCDHN CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])C12CCCC2 ZINC000742390949 574995648 /nfs/dbraw/zinc/99/56/48/574995648.db2.gz WKLBOSWZXKEGGJ-HOTGVXAUSA-N 0 3 305.418 3.228 20 10 DGCDHN CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)C ZINC000746650631 575466109 /nfs/dbraw/zinc/46/61/09/575466109.db2.gz DGZIOJBLMYZQMN-UHFFFAOYSA-N 0 3 319.493 3.079 20 10 DGCDHN COC(=O)/C(C)=C/CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000749115919 575628370 /nfs/dbraw/zinc/62/83/70/575628370.db2.gz MAOOXNDIEXIBSU-RVDMUPIBSA-N 0 3 304.434 3.082 20 10 DGCDHN COc1ccc(N2CCCN([C@@H](C)c3ccccn3)CC2)cc1 ZINC000750039558 575699276 /nfs/dbraw/zinc/69/92/76/575699276.db2.gz PVXCKMZECQMUSW-INIZCTEOSA-N 0 3 311.429 3.364 20 10 DGCDHN CCCN(CC(=O)N(C)c1ccccc1)Cc1ccccc1O ZINC000750874694 575757113 /nfs/dbraw/zinc/75/71/13/575757113.db2.gz HBGIVDKQJLVIKM-UHFFFAOYSA-N 0 3 312.413 3.267 20 10 DGCDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc3c(c2)CCO3)o1 ZINC000725853826 575933216 /nfs/dbraw/zinc/93/32/16/575933216.db2.gz XVAPFYFTSCZNKM-UHFFFAOYSA-N 0 3 309.369 3.203 20 10 DGCDHN CN1CCCc2cc(CNC[C@@H](O)c3ccccc3F)ccc21 ZINC000727644190 576135804 /nfs/dbraw/zinc/13/58/04/576135804.db2.gz RLWFFUKRQBWVOM-LJQANCHMSA-N 0 3 314.404 3.031 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)c2cccc3c2CNC3)cc1 ZINC000852790026 620649000 /nfs/dbraw/zinc/64/90/00/620649000.db2.gz NMKSEMVHTUCBNR-UHFFFAOYSA-N 0 3 323.440 3.066 20 10 DGCDHN CN(C)c1ccc(CN2Cc3cnn(C)c3CC(C)(C)C2)cc1 ZINC000854058189 620765705 /nfs/dbraw/zinc/76/57/05/620765705.db2.gz HKJREKMPXBQJPZ-UHFFFAOYSA-N 0 3 312.461 3.071 20 10 DGCDHN C[C@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2c1c(F)ccc2[O-] ZINC000840886658 618129229 /nfs/dbraw/zinc/12/92/29/618129229.db2.gz KQHXSBSUPMVGRN-IGRCHAIXSA-N 0 3 315.335 3.218 20 10 DGCDHN CCOc1ccccc1CNCc1ccc(OC)c(OC)c1O ZINC000892663808 618129820 /nfs/dbraw/zinc/12/98/20/618129820.db2.gz XBWISOSQTMCOFY-UHFFFAOYSA-N 0 3 317.385 3.098 20 10 DGCDHN C[C@@H]([NH2+]CC1(N)CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000854222665 620785497 /nfs/dbraw/zinc/78/54/97/620785497.db2.gz JRMGZJQRBDPZRN-SNVBAGLBSA-N 0 3 302.340 3.333 20 10 DGCDHN C[C@@H](NCC12CC(C1)C[NH2+]2)c1cc(Cl)c(Cl)cc1[O-] ZINC000854228447 620786728 /nfs/dbraw/zinc/78/67/28/620786728.db2.gz WIMLJZYQJBTQRM-NQTXRORDSA-N 0 3 301.217 3.102 20 10 DGCDHN CC[C@@H](c1ccc(C)cc1O)N1CCc2sc(CN)nc2C1 ZINC000925751132 618594923 /nfs/dbraw/zinc/59/49/23/618594923.db2.gz KHEQNGLVCKKUAI-AWEZNQCLSA-N 0 3 317.458 3.125 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000840970348 618646388 /nfs/dbraw/zinc/64/63/88/618646388.db2.gz PWVBQPIRAZDRMB-KRWDZBQOSA-N 0 3 305.418 3.038 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000840970348 618646392 /nfs/dbraw/zinc/64/63/92/618646392.db2.gz PWVBQPIRAZDRMB-KRWDZBQOSA-N 0 3 305.418 3.038 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ncc(Cl)n1C ZINC000840975164 618651450 /nfs/dbraw/zinc/65/14/50/618651450.db2.gz DFQWMXVJESZAKW-ZDUSSCGKSA-N 0 3 320.868 3.169 20 10 DGCDHN COc1cc(C)cc(CN(C)Cc2ccccc2O)c1OC ZINC000893962923 618680841 /nfs/dbraw/zinc/68/08/41/618680841.db2.gz XBPROCHJAAPKBJ-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)c([O-])c1 ZINC000894185234 618725929 /nfs/dbraw/zinc/72/59/29/618725929.db2.gz KKPMYPOEEJCEOH-NVXWUHKLSA-N 0 3 319.445 3.476 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895843815 618838187 /nfs/dbraw/zinc/83/81/87/618838187.db2.gz CRULTQHQPLETIY-RISCZKNCSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895843815 618838191 /nfs/dbraw/zinc/83/81/91/618838191.db2.gz CRULTQHQPLETIY-RISCZKNCSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1ccc(CN2CC[C@](C)(C(F)(F)F)C2)c(O)c1OC ZINC000895938910 618852089 /nfs/dbraw/zinc/85/20/89/618852089.db2.gz NCJKTSHOVFHOCV-AWEZNQCLSA-N 0 3 319.323 3.184 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CCC[C@@H](c3ccn(C)n3)C2)cc1 ZINC000896488568 618917844 /nfs/dbraw/zinc/91/78/44/618917844.db2.gz IDISDKJYVNDMJM-WLPBJKJWSA-N 0 3 324.472 3.379 20 10 DGCDHN CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c([O-])cccc1F ZINC000896642461 618938043 /nfs/dbraw/zinc/93/80/43/618938043.db2.gz WZSDWGNFIPJVNO-UHFFFAOYSA-N 0 3 320.320 3.128 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000896820757 618964986 /nfs/dbraw/zinc/96/49/86/618964986.db2.gz BIODCTUUFFAHPO-BXUZGUMPSA-N 0 3 303.324 3.290 20 10 DGCDHN CCCN(CCC)c1ccc(CNC[C@H](O)C(F)(F)F)cc1 ZINC000788978606 625311040 /nfs/dbraw/zinc/31/10/40/625311040.db2.gz VRTLMXNZKOAKBI-HNNXBMFYSA-N 0 3 318.383 3.326 20 10 DGCDHN CCOc1cccc(CNCc2cnn(CC3CCC3)c2)c1O ZINC000897433212 619119094 /nfs/dbraw/zinc/11/90/94/619119094.db2.gz SBPAOVSYOZKKKK-UHFFFAOYSA-N 0 3 315.417 3.077 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c1[O-] ZINC000897507929 619141005 /nfs/dbraw/zinc/14/10/05/619141005.db2.gz HRKCJSJCGFYTRM-UONOGXRCSA-N 0 3 311.809 3.101 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000898516512 619283578 /nfs/dbraw/zinc/28/35/78/619283578.db2.gz UECUEHYAWNPEML-RDJZCZTQSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000898516512 619283581 /nfs/dbraw/zinc/28/35/81/619283581.db2.gz UECUEHYAWNPEML-RDJZCZTQSA-N 0 3 319.445 3.430 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CC[C@H]3OC)c2c1 ZINC000902639208 619660319 /nfs/dbraw/zinc/66/03/19/619660319.db2.gz PAKCXDYGFWQKMD-FUHWJXTLSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CC[C@H]3OC)c2c1 ZINC000902639208 619660320 /nfs/dbraw/zinc/66/03/20/619660320.db2.gz PAKCXDYGFWQKMD-FUHWJXTLSA-N 0 3 301.386 3.163 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCOC[C@@H]2CC2CCOCC2)c1 ZINC000902670275 619662722 /nfs/dbraw/zinc/66/27/22/619662722.db2.gz NFIBMRLMDRFHJW-SFHVURJKSA-N 0 3 319.445 3.027 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnn(CCF)c2)c1[O-] ZINC000903273650 619750558 /nfs/dbraw/zinc/75/05/58/619750558.db2.gz BXJAFUGBFWRRLF-NSHDSACASA-N 0 3 311.788 3.371 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)c2c1c(F)ccc2[O-] ZINC000903323243 619755825 /nfs/dbraw/zinc/75/58/25/619755825.db2.gz DICBIDUZHWYMGZ-XPTSAGLGSA-N 0 3 313.332 3.406 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(F)c2)c([O-])c1 ZINC000903310770 619757368 /nfs/dbraw/zinc/75/73/68/619757368.db2.gz QQEPNFJKKGSGND-SCLBCKFNSA-N 0 3 303.377 3.398 20 10 DGCDHN C[C@@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000903312297 619758147 /nfs/dbraw/zinc/75/81/47/619758147.db2.gz YQVFQDALIQHCSE-MAUKXSAKSA-N 0 3 301.361 3.016 20 10 DGCDHN C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(F)cc1[O-] ZINC000903380776 619768862 /nfs/dbraw/zinc/76/88/62/619768862.db2.gz PHVRYSKDKFLXLE-DYVFJYSZSA-N 0 3 317.408 3.270 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CCO)cc2)c2c1c(F)ccc2[O-] ZINC000903404255 619770811 /nfs/dbraw/zinc/77/08/11/619770811.db2.gz YZPGHRWSWOTEPB-MLGOLLRUSA-N 0 3 315.388 3.404 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)c2c1c(F)ccc2[O-] ZINC000903441153 619775759 /nfs/dbraw/zinc/77/57/59/619775759.db2.gz YGNKJFQXSIWOHS-MIBCPZNCSA-N 0 3 313.372 3.328 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1ccc(C)cc1[O-] ZINC000903449747 619778581 /nfs/dbraw/zinc/77/85/81/619778581.db2.gz BKNFHYPTVYEAJQ-SQWLQELKSA-N 0 3 305.418 3.473 20 10 DGCDHN CC(C)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000914581413 620543263 /nfs/dbraw/zinc/54/32/63/620543263.db2.gz CXEQFDSPVRHUMV-UHFFFAOYSA-N 0 3 301.478 3.203 20 10 DGCDHN CC(=O)Nc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921504914 620876252 /nfs/dbraw/zinc/87/62/52/620876252.db2.gz SMOZZCMPBVLDJA-UHFFFAOYSA-N 0 3 310.397 3.260 20 10 DGCDHN CC[C@H]([NH3+])CN[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817979321 620897627 /nfs/dbraw/zinc/89/76/27/620897627.db2.gz JMRUBEBPHQOYOJ-CBAPKCEASA-N 0 3 321.646 3.196 20 10 DGCDHN COc1ccc(CNCc2cc(C)ccc2O)c(OC)c1OC ZINC000113324267 620904226 /nfs/dbraw/zinc/90/42/26/620904226.db2.gz ALDSBPMJQOXARW-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccnn2C2CCC2)c1 ZINC000922217707 621007409 /nfs/dbraw/zinc/00/74/09/621007409.db2.gz VXRKBCMAXZDNGQ-GFCCVEGCSA-N 0 3 301.390 3.173 20 10 DGCDHN CCOc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c([O-])c1 ZINC000856806830 621024294 /nfs/dbraw/zinc/02/42/94/621024294.db2.gz JIUDTVRQUVMLTP-NSHDSACASA-N 0 3 304.217 3.464 20 10 DGCDHN CSC1CCC(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000922418984 621036657 /nfs/dbraw/zinc/03/66/57/621036657.db2.gz JQSSLXRDRDVMDJ-UHFFFAOYSA-N 0 3 309.431 3.132 20 10 DGCDHN CCOc1cccc(CNCc2nccc3c2CCCC3)c1O ZINC000922466852 621042000 /nfs/dbraw/zinc/04/20/00/621042000.db2.gz MNEXYXAXIYNANA-UHFFFAOYSA-N 0 3 312.413 3.355 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c([O-])c1 ZINC000922814531 621102741 /nfs/dbraw/zinc/10/27/41/621102741.db2.gz XFKSXNXSLKIIIW-INIZCTEOSA-N 0 3 305.418 3.372 20 10 DGCDHN COc1ccc(CNCc2ccc(N(C)C)cc2C)cc1F ZINC000115629347 621119101 /nfs/dbraw/zinc/11/91/01/621119101.db2.gz ZXUBDBOJYHTALH-UHFFFAOYSA-N 0 3 302.393 3.499 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c([O-])c1 ZINC000922893832 621121676 /nfs/dbraw/zinc/12/16/76/621121676.db2.gz JAQDLOBHCZYNOV-KRWDZBQOSA-N 0 3 303.406 3.011 20 10 DGCDHN Cc1ccccc1[C@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858134885 621156304 /nfs/dbraw/zinc/15/63/04/621156304.db2.gz JKRZULCLNQIARL-GOSISDBHSA-N 0 3 320.383 3.162 20 10 DGCDHN C[C@H](Cc1ccccn1)NCc1cc(F)c(N(C)C)cc1F ZINC000858185996 621162616 /nfs/dbraw/zinc/16/26/16/621162616.db2.gz NPHOFBUEDUBPPA-GFCCVEGCSA-N 0 3 305.372 3.147 20 10 DGCDHN CCSC1(CNCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858192897 621163665 /nfs/dbraw/zinc/16/36/65/621163665.db2.gz QBQAWRNSMUAEFF-UHFFFAOYSA-N 0 3 300.418 3.406 20 10 DGCDHN Cc1ccc(O)c(CNCc2ccc(F)c(F)c2N(C)C)c1 ZINC000858239477 621167260 /nfs/dbraw/zinc/16/72/60/621167260.db2.gz NZUOESFAMBDDJZ-UHFFFAOYSA-N 0 3 306.356 3.335 20 10 DGCDHN COc1cc(CNCc2ccc[nH]c2=O)c(O)c(C(C)(C)C)c1 ZINC000858304838 621173163 /nfs/dbraw/zinc/17/31/63/621173163.db2.gz JPJWUKIARDRIMV-UHFFFAOYSA-N 0 3 316.401 3.089 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)cc1)c1ccnc(CO)c1 ZINC000858327088 621176182 /nfs/dbraw/zinc/17/61/82/621176182.db2.gz LCWMGZRDUXNEQZ-UHFFFAOYSA-N 0 3 311.429 3.201 20 10 DGCDHN CC1CCN(c2ccc(CNc3ccnc(CO)c3)cc2)CC1 ZINC000858403264 621186369 /nfs/dbraw/zinc/18/63/69/621186369.db2.gz ZGHVLNYKJVBYCF-UHFFFAOYSA-N 0 3 311.429 3.422 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(C)cc1[O-] ZINC000858479360 621196214 /nfs/dbraw/zinc/19/62/14/621196214.db2.gz PQYWSQBNPANRNB-HIFRSBDPSA-N 0 3 312.404 3.471 20 10 DGCDHN CCOC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000858505484 621199293 /nfs/dbraw/zinc/19/92/93/621199293.db2.gz LCORRNSTACVUME-JKOKRWQUSA-N 0 3 319.376 3.321 20 10 DGCDHN Fc1cc(CNCc2ccccc2)cc(F)c1N1CCOCC1 ZINC000839146569 621333129 /nfs/dbraw/zinc/33/31/29/621333129.db2.gz MFADKFFMVIUETQ-UHFFFAOYSA-N 0 3 318.367 3.091 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CC(Cc2ccc(F)cc2)C1 ZINC000839135054 621339684 /nfs/dbraw/zinc/33/96/84/621339684.db2.gz UYRGXIALNYHZQT-UHFFFAOYSA-N 0 3 301.361 3.214 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000839184894 621345076 /nfs/dbraw/zinc/34/50/76/621345076.db2.gz MGXAUILXSDWXTB-MAUKXSAKSA-N 0 3 315.413 3.218 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1[O-] ZINC000753577381 621450385 /nfs/dbraw/zinc/45/03/85/621450385.db2.gz USAOUTTUXMMXGA-YGRLFVJLSA-N 0 3 314.223 3.120 20 10 DGCDHN C[C@@H](NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000753728561 621462046 /nfs/dbraw/zinc/46/20/46/621462046.db2.gz AICXTCJNYFNMNH-GFCCVEGCSA-N 0 3 310.401 3.185 20 10 DGCDHN c1csc(SCCCNCc2cnc3ccccc3n2)n1 ZINC000862281737 621571860 /nfs/dbraw/zinc/57/18/60/621571860.db2.gz UNVDFLQAEVHBRC-UHFFFAOYSA-N 0 3 316.455 3.358 20 10 DGCDHN COC[C@@H]1CCCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862333943 621575014 /nfs/dbraw/zinc/57/50/14/621575014.db2.gz PZQUTIURTXVINH-CYBMUJFWSA-N 0 3 312.404 3.279 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F ZINC000862384250 621582527 /nfs/dbraw/zinc/58/25/27/621582527.db2.gz SLNUBBDOWQUKMZ-XCRHUMRWSA-N 0 3 324.415 3.156 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]Cc2cc(C)ccc2O)c1[O-] ZINC000862476252 621593199 /nfs/dbraw/zinc/59/31/99/621593199.db2.gz NNTYXWKKJHCDQQ-UHFFFAOYSA-N 0 3 307.777 3.358 20 10 DGCDHN CN1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000862483042 621594227 /nfs/dbraw/zinc/59/42/27/621594227.db2.gz NWPRVKASDNXRRB-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862485140 621594965 /nfs/dbraw/zinc/59/49/65/621594965.db2.gz HSBDAWPSZCKOBZ-SWLSCSKDSA-N 0 3 323.408 3.331 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862485140 621594967 /nfs/dbraw/zinc/59/49/67/621594967.db2.gz HSBDAWPSZCKOBZ-SWLSCSKDSA-N 0 3 323.408 3.331 20 10 DGCDHN Cc1n[nH]cc1CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756398431 621635560 /nfs/dbraw/zinc/63/55/60/621635560.db2.gz GADXJZYNODZKHP-HZMBPMFUSA-N 0 3 303.381 3.334 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c2cnn3C)c2c1c(F)ccc2[O-] ZINC000756403745 621635971 /nfs/dbraw/zinc/63/59/71/621635971.db2.gz QYQKQIFGOPJZOY-DDTOSNHZSA-N 0 3 315.392 3.480 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCCCn2ccnc2)c2c1c(F)ccc2[O-] ZINC000756458247 621639396 /nfs/dbraw/zinc/63/93/96/621639396.db2.gz KQTADRPKFDZNAU-TZMCWYRMSA-N 0 3 303.381 3.346 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(F)ccc1[O-] ZINC000756702575 621659234 /nfs/dbraw/zinc/65/92/34/621659234.db2.gz ARHLFMUGKLYKRB-NSHDSACASA-N 0 3 303.333 3.153 20 10 DGCDHN COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(C)ccc1O ZINC000756711485 621659836 /nfs/dbraw/zinc/65/98/36/621659836.db2.gz LIRBZSWNJWOPHT-XJKSGUPXSA-N 0 3 301.386 3.093 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000756736448 621661657 /nfs/dbraw/zinc/66/16/57/621661657.db2.gz NWIMQEAFIMBAJS-NTZNESFSSA-N 0 3 320.408 3.069 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCCOC2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756734788 621661696 /nfs/dbraw/zinc/66/16/96/621661696.db2.gz ZNWOCXMHIKFWDK-SWLSCSKDSA-N 0 3 323.408 3.255 20 10 DGCDHN C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(F)ccc1[O-] ZINC000756768677 621663295 /nfs/dbraw/zinc/66/32/95/621663295.db2.gz FZYFXGYQBICMCX-NSHDSACASA-N 0 3 301.365 3.092 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c2c1c(F)ccc2[O-] ZINC000756783445 621664439 /nfs/dbraw/zinc/66/44/39/621664439.db2.gz YWNAAJKEUBBBMM-MCTLKSGKSA-N 0 3 321.392 3.007 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)c([O-])c1 ZINC000756997765 621678125 /nfs/dbraw/zinc/67/81/25/621678125.db2.gz YPNWAEBPIIGJJW-GOSISDBHSA-N 0 3 312.413 3.067 20 10 DGCDHN C[C@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000839562909 621697102 /nfs/dbraw/zinc/69/71/02/621697102.db2.gz FMIAGCKEWGVREQ-LIRRHRJNSA-N 0 3 323.440 3.357 20 10 DGCDHN COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000757653540 621731102 /nfs/dbraw/zinc/73/11/02/621731102.db2.gz JIHYGISANNIZBA-OCCSQVGLSA-N 0 3 307.365 3.423 20 10 DGCDHN CC1(C)OCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CO1 ZINC000758012232 621752620 /nfs/dbraw/zinc/75/26/20/621752620.db2.gz NDVNDBYZYRFTQG-UHFFFAOYSA-N 0 3 313.397 3.300 20 10 DGCDHN Cn1ccc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])n1 ZINC000760648293 621956075 /nfs/dbraw/zinc/95/60/75/621956075.db2.gz HRIJVSGYZQZLDT-UHFFFAOYSA-N 0 3 307.397 3.125 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865603824 621959935 /nfs/dbraw/zinc/95/99/35/621959935.db2.gz NAPCSSLUYDDHPS-HNNXBMFYSA-N 0 3 312.461 3.313 20 10 DGCDHN CN(C)c1ccc(CNCc2cccc3c2CCOC3)cc1F ZINC000865725523 621984168 /nfs/dbraw/zinc/98/41/68/621984168.db2.gz KGCZPJYAHZEYFJ-UHFFFAOYSA-N 0 3 314.404 3.254 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1[O-] ZINC000761203200 621993576 /nfs/dbraw/zinc/99/35/76/621993576.db2.gz KWYNMPPILHLFIQ-RISCZKNCSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1[O-] ZINC000761203200 621993577 /nfs/dbraw/zinc/99/35/77/621993577.db2.gz KWYNMPPILHLFIQ-RISCZKNCSA-N 0 3 311.809 3.055 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c([O-])c1 ZINC000789593770 625532042 /nfs/dbraw/zinc/53/20/42/625532042.db2.gz VTVDUVXZFDVKIS-GOSISDBHSA-N 0 3 307.434 3.164 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@]2(CO)CC(C)C)c([O-])c1 ZINC000789593770 625532044 /nfs/dbraw/zinc/53/20/44/625532044.db2.gz VTVDUVXZFDVKIS-GOSISDBHSA-N 0 3 307.434 3.164 20 10 DGCDHN COc1ccc(CNCc2cc3c([nH]c2=O)CCCC3)cc1C ZINC000865880467 622014772 /nfs/dbraw/zinc/01/47/72/622014772.db2.gz YGGXVLPWROPAJL-UHFFFAOYSA-N 0 3 312.413 3.273 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000762462304 622077541 /nfs/dbraw/zinc/07/75/41/622077541.db2.gz VQGYIXIKIHOWTE-UHFFFAOYSA-N 0 3 307.434 3.474 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)c([O-])c1 ZINC000866426807 622116272 /nfs/dbraw/zinc/11/62/72/622116272.db2.gz DWUCGZAOONZHGV-HIFRSBDPSA-N 0 3 307.434 3.449 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c2c1c(F)ccc2[O-] ZINC000866447136 622120075 /nfs/dbraw/zinc/12/00/75/622120075.db2.gz ZDBLWWZOVMRZPC-KWJSBODPSA-N 0 3 303.377 3.093 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000016075999 622122392 /nfs/dbraw/zinc/12/23/92/622122392.db2.gz UDKJLTDJDPJWGG-BETUJISGSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000016075999 622122395 /nfs/dbraw/zinc/12/23/95/622122395.db2.gz UDKJLTDJDPJWGG-BETUJISGSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc2ccc(O)c(CN3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000016075999 622122396 /nfs/dbraw/zinc/12/23/96/622122396.db2.gz UDKJLTDJDPJWGG-BETUJISGSA-N 0 3 301.386 3.163 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000763533070 622150306 /nfs/dbraw/zinc/15/03/06/622150306.db2.gz YYADCPKSIFBOFW-YOEHRIQHSA-N 0 3 307.434 3.474 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+](Cc1cccs1)C1CC1)[C@H](O)CO2 ZINC000768441232 622456228 /nfs/dbraw/zinc/45/62/28/622456228.db2.gz IMLUWCGVJIRMLC-MRXNPFEDSA-N 0 3 317.410 3.044 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1cccs1)C1CC1)[C@H](O)CO2 ZINC000768441232 622456229 /nfs/dbraw/zinc/45/62/29/622456229.db2.gz IMLUWCGVJIRMLC-MRXNPFEDSA-N 0 3 317.410 3.044 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccs1)[C@@H](O)CO2 ZINC000768442102 622456342 /nfs/dbraw/zinc/45/63/42/622456342.db2.gz OUXNDXDYGKQGSR-ZFWWWQNUSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccs1)[C@@H](O)CO2 ZINC000768442102 622456343 /nfs/dbraw/zinc/45/63/43/622456343.db2.gz OUXNDXDYGKQGSR-ZFWWWQNUSA-N 0 3 317.410 3.217 20 10 DGCDHN CC(C)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768463351 622458110 /nfs/dbraw/zinc/45/81/10/622458110.db2.gz HJJUMHVQEPPADC-GUYCJALGSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768463351 622458111 /nfs/dbraw/zinc/45/81/11/622458111.db2.gz HJJUMHVQEPPADC-GUYCJALGSA-N 0 3 305.418 3.076 20 10 DGCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCCCNC1=O ZINC000769200760 622507627 /nfs/dbraw/zinc/50/76/27/622507627.db2.gz CNPDLXIUSWZLHS-SFHVURJKSA-N 0 3 324.424 3.160 20 10 DGCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCCCNC1=O ZINC000769200760 622507628 /nfs/dbraw/zinc/50/76/28/622507628.db2.gz CNPDLXIUSWZLHS-SFHVURJKSA-N 0 3 324.424 3.160 20 10 DGCDHN CN(Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCCCNC1=O ZINC000769200760 622507631 /nfs/dbraw/zinc/50/76/31/622507631.db2.gz CNPDLXIUSWZLHS-SFHVURJKSA-N 0 3 324.424 3.160 20 10 DGCDHN COc1ccc([C@H]2CC[N@H+](Cc3c([O-])cccc3OC)C2)cc1 ZINC000769246268 622510039 /nfs/dbraw/zinc/51/00/39/622510039.db2.gz ZBNAAKMOZWNBQD-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc([C@H]2CC[N@@H+](Cc3c([O-])cccc3OC)C2)cc1 ZINC000769246268 622510040 /nfs/dbraw/zinc/51/00/40/622510040.db2.gz ZBNAAKMOZWNBQD-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN c1cc(N2CCCCC2)ccc1CN1CCN(C2CCC2)CC1 ZINC000769410828 622525596 /nfs/dbraw/zinc/52/55/96/622525596.db2.gz FHDPYINJMJKFJR-UHFFFAOYSA-N 0 3 313.489 3.347 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1[O-] ZINC000769471423 622531039 /nfs/dbraw/zinc/53/10/39/622531039.db2.gz UHPUGHQVPKIPNE-NXEZZACHSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@H]2C)c1[O-] ZINC000769471423 622531041 /nfs/dbraw/zinc/53/10/41/622531041.db2.gz UHPUGHQVPKIPNE-NXEZZACHSA-N 0 3 314.223 3.394 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([O-])c1 ZINC000770374375 622625751 /nfs/dbraw/zinc/62/57/51/622625751.db2.gz MXFJSPUFQPRGLD-ZBFHGGJFSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([O-])c1 ZINC000770374375 622625753 /nfs/dbraw/zinc/62/57/53/622625753.db2.gz MXFJSPUFQPRGLD-ZBFHGGJFSA-N 0 3 305.418 3.039 20 10 DGCDHN C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cc(F)ccc1[O-] ZINC000872109241 622811578 /nfs/dbraw/zinc/81/15/78/622811578.db2.gz JKHMPFJDPJYMQR-VIFPVBQESA-N 0 3 317.286 3.097 20 10 DGCDHN COc1cc(CN2CCC(C(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000872798823 622981593 /nfs/dbraw/zinc/98/15/93/622981593.db2.gz SRVARWJTKMCTAI-UHFFFAOYSA-N 0 3 319.445 3.499 20 10 DGCDHN CCCOc1ccc(CNCC[S@@](=O)C(C)(C)C)cc1C ZINC000873053333 623026155 /nfs/dbraw/zinc/02/61/55/623026155.db2.gz ISFBMWNBNRJRLD-OAQYLSRUSA-N 0 3 311.491 3.421 20 10 DGCDHN COc1cccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000873183371 623064733 /nfs/dbraw/zinc/06/47/33/623064733.db2.gz ITFHRLQQYQNBJD-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN CC(C)N(C(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000774483965 623151305 /nfs/dbraw/zinc/15/13/05/623151305.db2.gz NXTQKCXDIZJEQT-CVEARBPZSA-N 0 3 319.493 3.437 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccccc1[O-] ZINC000775491008 623279967 /nfs/dbraw/zinc/27/99/67/623279967.db2.gz XPTPDACUPFMNOM-YOEHRIQHSA-N 0 3 319.376 3.012 20 10 DGCDHN C[C@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000775554955 623288781 /nfs/dbraw/zinc/28/87/81/623288781.db2.gz QDPRQKHYKWTPDS-BJJXKVORSA-N 0 3 315.388 3.273 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000775690301 623314333 /nfs/dbraw/zinc/31/43/33/623314333.db2.gz PRRMTNODMLLBNR-DGCLKSJQSA-N 0 3 323.742 3.242 20 10 DGCDHN CCCCC[C@H](C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775830421 623338713 /nfs/dbraw/zinc/33/87/13/623338713.db2.gz IEVYQERJSDSZFT-JKSUJKDBSA-N 0 3 319.493 3.488 20 10 DGCDHN CC(C)CN(C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000775834515 623339183 /nfs/dbraw/zinc/33/91/83/623339183.db2.gz UMWFIEIZNLLJSF-HNNXBMFYSA-N 0 3 317.477 3.050 20 10 DGCDHN C[C@H](NCC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775834716 623339449 /nfs/dbraw/zinc/33/94/49/623339449.db2.gz PIDMRCQTIPDWMY-RVKKMQEKSA-N 0 3 317.477 3.098 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]CCOC(C)(C)C)c1[O-] ZINC000776118236 623380868 /nfs/dbraw/zinc/38/08/68/623380868.db2.gz BTARDPZZTCSVHZ-UHFFFAOYSA-N 0 3 316.239 3.368 20 10 DGCDHN CO[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000776219345 623398682 /nfs/dbraw/zinc/39/86/82/623398682.db2.gz FQJBEUWCMAJKEI-ZDUSSCGKSA-N 0 3 316.239 3.224 20 10 DGCDHN CO[C@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000776219338 623398887 /nfs/dbraw/zinc/39/88/87/623398887.db2.gz FQJBEUWCMAJKEI-CYBMUJFWSA-N 0 3 316.239 3.224 20 10 DGCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000776864623 623472675 /nfs/dbraw/zinc/47/26/75/623472675.db2.gz MIGNGHHZHWNFTG-ILXRZTDVSA-N 0 3 320.433 3.300 20 10 DGCDHN OC1CCN(c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000876509398 623630096 /nfs/dbraw/zinc/63/00/96/623630096.db2.gz FNWBUSSPJQEJQK-UHFFFAOYSA-N 0 3 322.452 3.206 20 10 DGCDHN Cc1ccc(CN2CCC[C@@H](OCC(F)(F)F)C2)c(O)c1 ZINC000876611798 623659065 /nfs/dbraw/zinc/65/90/65/623659065.db2.gz RYOYCFPVECWLCJ-CYBMUJFWSA-N 0 3 303.324 3.244 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c([O-])c1 ZINC000876719279 623688753 /nfs/dbraw/zinc/68/87/53/623688753.db2.gz HKFIBJKCVMEZDP-OAHLLOKOSA-N 0 3 318.461 3.075 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c([O-])c1 ZINC000876719279 623688755 /nfs/dbraw/zinc/68/87/55/623688755.db2.gz HKFIBJKCVMEZDP-OAHLLOKOSA-N 0 3 318.461 3.075 20 10 DGCDHN CCOC(=O)CC[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876815126 623715046 /nfs/dbraw/zinc/71/50/46/623715046.db2.gz VAEQPPDYVPWALR-OAHLLOKOSA-N 0 3 305.418 3.256 20 10 DGCDHN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876815126 623715052 /nfs/dbraw/zinc/71/50/52/623715052.db2.gz VAEQPPDYVPWALR-OAHLLOKOSA-N 0 3 305.418 3.256 20 10 DGCDHN CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876814312 623715170 /nfs/dbraw/zinc/71/51/70/623715170.db2.gz LOAMWJAVLLUPBT-OAHLLOKOSA-N 0 3 305.418 3.256 20 10 DGCDHN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876814312 623715174 /nfs/dbraw/zinc/71/51/74/623715174.db2.gz LOAMWJAVLLUPBT-OAHLLOKOSA-N 0 3 305.418 3.256 20 10 DGCDHN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1Cc1ccccc1O ZINC000779034576 623723698 /nfs/dbraw/zinc/72/36/98/623723698.db2.gz YOGUSDQNJYHDSE-DLBZAZTESA-N 0 3 317.429 3.336 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000779065013 623726692 /nfs/dbraw/zinc/72/66/92/623726692.db2.gz MMIJVHFBALWSNR-UHFFFAOYSA-N 0 3 302.324 3.484 20 10 DGCDHN Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC000876893929 623738346 /nfs/dbraw/zinc/73/83/46/623738346.db2.gz JXIUEGDOHQKPNC-UHFFFAOYSA-N 0 3 310.441 3.455 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H](C(N)=O)C1 ZINC000779204457 623741793 /nfs/dbraw/zinc/74/17/93/623741793.db2.gz SNUXNQGTOZJVAE-KDOFPFPSSA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H](C(N)=O)C1 ZINC000779204457 623741799 /nfs/dbraw/zinc/74/17/99/623741799.db2.gz SNUXNQGTOZJVAE-KDOFPFPSSA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@H](C(N)=O)C1 ZINC000779204457 623741803 /nfs/dbraw/zinc/74/18/03/623741803.db2.gz SNUXNQGTOZJVAE-KDOFPFPSSA-N 0 3 324.424 3.145 20 10 DGCDHN COc1cc2c(cc1CNCc1c(C)cccc1O)O[C@@H](C)C2 ZINC000876923785 623744666 /nfs/dbraw/zinc/74/46/66/623744666.db2.gz INQLKESITNUATK-ZDUSSCGKSA-N 0 3 313.397 3.322 20 10 DGCDHN COc1cccc(CC[NH2+]Cc2c(C)cccc2[O-])c1OC ZINC000876946640 623751571 /nfs/dbraw/zinc/75/15/71/623751571.db2.gz NHWUIZRTXMGYGE-UHFFFAOYSA-N 0 3 301.386 3.050 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000876970209 623757399 /nfs/dbraw/zinc/75/73/99/623757399.db2.gz LGSLIDHCEVIJBQ-HNNXBMFYSA-N 0 3 314.404 3.456 20 10 DGCDHN COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1OC ZINC000877017800 623767243 /nfs/dbraw/zinc/76/72/43/623767243.db2.gz IQPPBQBWBAELSU-CQSZACIVSA-N 0 3 315.413 3.439 20 10 DGCDHN COC(=O)c1csc(CNCc2ccc(N(C)C)cc2C)c1 ZINC000877030571 623769940 /nfs/dbraw/zinc/76/99/40/623769940.db2.gz GIOSOMMTQMEIRF-UHFFFAOYSA-N 0 3 318.442 3.199 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CCc1csc(N2CCCC2)n1 ZINC000877056080 623777740 /nfs/dbraw/zinc/77/77/40/623777740.db2.gz IHLLTZKWXBMIEX-UHFFFAOYSA-N 0 3 317.458 3.090 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000877162556 623812128 /nfs/dbraw/zinc/81/21/28/623812128.db2.gz IOVIOOGGXTWFDP-HNNXBMFYSA-N 0 3 320.433 3.094 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000877189319 623822495 /nfs/dbraw/zinc/82/24/95/623822495.db2.gz MKWRILKFOFTHNQ-JSGCOSHPSA-N 0 3 324.415 3.413 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000877458976 623891710 /nfs/dbraw/zinc/89/17/10/623891710.db2.gz DHRXFDMUEILYNS-HIFRSBDPSA-N 0 3 317.351 3.274 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000877476511 623900695 /nfs/dbraw/zinc/90/06/95/623900695.db2.gz GJNGSYMHHCWZQS-IEBWSBKVSA-N 0 3 315.388 3.096 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000877538756 623932747 /nfs/dbraw/zinc/93/27/47/623932747.db2.gz DFFCNUZKPWLVOR-KRWDZBQOSA-N 0 3 303.427 3.340 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C)C2)c1[O-] ZINC000780579102 623954254 /nfs/dbraw/zinc/95/42/54/623954254.db2.gz ZDSLEYZVHPIHME-JOYOIKCWSA-N 0 3 314.223 3.442 20 10 DGCDHN Cc1ccc(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c([O-])c1 ZINC000877666776 623984361 /nfs/dbraw/zinc/98/43/61/623984361.db2.gz BIFWXWYTHZGGOG-UHFFFAOYSA-N 0 3 313.397 3.210 20 10 DGCDHN CC1([NH+]2CCCC2)CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000877674089 623986810 /nfs/dbraw/zinc/98/68/10/623986810.db2.gz MPXSFBSSISDXPE-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN CCc1oc(CN[C@H](C)c2ccccc2O)cc1C(=O)OC ZINC000877755601 624021681 /nfs/dbraw/zinc/02/16/81/624021681.db2.gz HSALYFAFVYHNNZ-LLVKDONJSA-N 0 3 303.358 3.185 20 10 DGCDHN COc1ccccc1[C@@H](C)NCc1cc(OC)c(OC)cc1O ZINC000877758517 624023941 /nfs/dbraw/zinc/02/39/41/624023941.db2.gz GQKYLFPFURRLLF-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN COc1ccc(O)c(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000877827831 624059775 /nfs/dbraw/zinc/05/97/75/624059775.db2.gz UIONOZNFOWQGQD-LLVKDONJSA-N 0 3 302.330 3.160 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000878362561 624256876 /nfs/dbraw/zinc/25/68/76/624256876.db2.gz CWIJEVHNKZCKKV-WBVHZDCISA-N 0 3 319.445 3.409 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1[O-] ZINC000805747637 624366354 /nfs/dbraw/zinc/36/63/54/624366354.db2.gz DPHJJQONTOSEJB-DOMZBBRYSA-N 0 3 305.805 3.300 20 10 DGCDHN c1cc(N2CCCCC2)ccc1CN1CCOCC2(CC2)C1 ZINC000783594734 624372660 /nfs/dbraw/zinc/37/26/60/624372660.db2.gz IVQJURCBGDVBMO-UHFFFAOYSA-N 0 3 300.446 3.289 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1ccccc1[O-] ZINC000879648188 624621084 /nfs/dbraw/zinc/62/10/84/624621084.db2.gz CSROGGQQFUJDBS-OAHLLOKOSA-N 0 3 324.424 3.238 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1[O-] ZINC000879649103 624622706 /nfs/dbraw/zinc/62/27/06/624622706.db2.gz IFGVGXHQCLTLMR-CABCVRRESA-N 0 3 318.461 3.328 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCc2ccccc2C1 ZINC000879650067 624622995 /nfs/dbraw/zinc/62/29/95/624622995.db2.gz ZMQJLCVOWTUUQA-HUUCEWRRSA-N 0 3 324.424 3.016 20 10 DGCDHN C[C@H]([NH2+]CCOCCOc1ccccc1)c1ccccc1[O-] ZINC000879651949 624624067 /nfs/dbraw/zinc/62/40/67/624624067.db2.gz QOTLABZUBFYGCQ-HNNXBMFYSA-N 0 3 301.386 3.138 20 10 DGCDHN Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651705 624624222 /nfs/dbraw/zinc/62/42/22/624624222.db2.gz IAAKAYJHRGNITA-JKSUJKDBSA-N 0 3 315.413 3.100 20 10 DGCDHN C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccccc1[O-] ZINC000879650680 624624260 /nfs/dbraw/zinc/62/42/60/624624260.db2.gz NBWBUIBDRIARFK-HNNXBMFYSA-N 0 3 324.424 3.018 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(Cl)cn1 ZINC000879650974 624624544 /nfs/dbraw/zinc/62/45/44/624624544.db2.gz AOTGOOWKNDMBML-WDEREUQCSA-N 0 3 319.792 3.118 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1[O-] ZINC000879650676 624624559 /nfs/dbraw/zinc/62/45/59/624624559.db2.gz NADNOHKUZIYUHJ-DZGCQCFKSA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ccccc1[O-] ZINC000879652396 624626335 /nfs/dbraw/zinc/62/63/35/624626335.db2.gz COUGPMPODFGINX-CABCVRRESA-N 0 3 324.424 3.411 20 10 DGCDHN CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879652259 624626520 /nfs/dbraw/zinc/62/65/20/624626520.db2.gz BOTGZJPNQAIDDV-GJZGRUSLSA-N 0 3 312.413 3.484 20 10 DGCDHN COc1ccc(N2CCN(C[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000787730775 625041798 /nfs/dbraw/zinc/04/17/98/625041798.db2.gz NEKJSIPNMPCAAS-CQSZACIVSA-N 0 3 310.388 3.253 20 10 DGCDHN CCC(=O)N1CCCN(Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000128728700 625177081 /nfs/dbraw/zinc/17/70/81/625177081.db2.gz JASIHCCGXSJMBC-UHFFFAOYSA-N 0 3 318.461 3.268 20 10 DGCDHN CCn1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c1=O ZINC000788605639 625225383 /nfs/dbraw/zinc/22/53/83/625225383.db2.gz BBEUQAHKRWOLMV-FZMZJTMJSA-N 0 3 316.376 3.051 20 10 DGCDHN COc1ccc(N2CCCN(Cc3cc(C)ccn3)CC2)cc1 ZINC000792209379 625927122 /nfs/dbraw/zinc/92/71/22/625927122.db2.gz UNUUUISFWAQZMB-UHFFFAOYSA-N 0 3 311.429 3.111 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cc(F)ccc1[O-] ZINC000797130986 626116757 /nfs/dbraw/zinc/11/67/57/626116757.db2.gz CWRFVIHNFDSKAG-YTEVENLXSA-N 0 3 321.417 3.261 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c([O-])c1 ZINC000797134657 626117171 /nfs/dbraw/zinc/11/71/71/626117171.db2.gz VJQXCGUMMNGERB-PEBXRYMYSA-N 0 3 317.454 3.430 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c([O-])c1 ZINC000797134652 626117333 /nfs/dbraw/zinc/11/73/33/626117333.db2.gz VJQXCGUMMNGERB-FPTDNZKUSA-N 0 3 317.454 3.430 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CC)c2ccc(C)cc2[O-])C1 ZINC000798003963 626188779 /nfs/dbraw/zinc/18/87/79/626188779.db2.gz UJCLRCSGLWNJLQ-IJEWVQPXSA-N 0 3 305.418 3.473 20 10 DGCDHN c1cnc2c(c1)CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000798926079 626259821 /nfs/dbraw/zinc/25/98/21/626259821.db2.gz HTANADOMWCEZPE-LJQANCHMSA-N 0 3 323.440 3.085 20 10 DGCDHN Cn1nccc1[C@@H]1CCCCN1Cc1cc2c(cc1O)CCC2 ZINC000799151091 626276332 /nfs/dbraw/zinc/27/63/32/626276332.db2.gz TVPONLHHTHVPOK-SFHVURJKSA-N 0 3 311.429 3.342 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(F)(F)F ZINC000801596206 626411356 /nfs/dbraw/zinc/41/13/56/626411356.db2.gz STCTWTBMWYZNGM-AWEZNQCLSA-N 0 3 305.340 3.308 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(F)(F)F ZINC000801596206 626411358 /nfs/dbraw/zinc/41/13/58/626411358.db2.gz STCTWTBMWYZNGM-AWEZNQCLSA-N 0 3 305.340 3.308 20 10 DGCDHN CCCCN(CC(=O)N1CCC[C@@H](C)C1)Cc1ccccc1O ZINC000801596077 626411391 /nfs/dbraw/zinc/41/13/91/626411391.db2.gz NYRSEXYPWAUDLU-MRXNPFEDSA-N 0 3 318.461 3.253 20 10 DGCDHN CCCC[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccccc1[O-] ZINC000801598381 626411898 /nfs/dbraw/zinc/41/18/98/626411898.db2.gz YMGAEVVRTFLLSC-MRXNPFEDSA-N 0 3 318.461 3.395 20 10 DGCDHN CCCC[N@@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccccc1[O-] ZINC000801598381 626411899 /nfs/dbraw/zinc/41/18/99/626411899.db2.gz YMGAEVVRTFLLSC-MRXNPFEDSA-N 0 3 318.461 3.395 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000802659620 626565754 /nfs/dbraw/zinc/56/57/54/626565754.db2.gz QMDZKVXCUMRTDV-UHFFFAOYSA-N 0 3 320.396 3.138 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000802659620 626565756 /nfs/dbraw/zinc/56/57/56/626565756.db2.gz QMDZKVXCUMRTDV-UHFFFAOYSA-N 0 3 320.396 3.138 20 10 DGCDHN COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000802658261 626565911 /nfs/dbraw/zinc/56/59/11/626565911.db2.gz QFVOPNKZKNYOON-HNNXBMFYSA-N 0 3 305.324 3.456 20 10 DGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](OC(F)F)C2)c1 ZINC000802747941 626569295 /nfs/dbraw/zinc/56/92/95/626569295.db2.gz VNGMAAMKTINQPV-LBPRGKRZSA-N 0 3 315.360 3.209 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCNC(=O)c2ccco2)c1[O-] ZINC000808673801 626848286 /nfs/dbraw/zinc/84/82/86/626848286.db2.gz UMSLWJOIEUTADU-NSHDSACASA-N 0 3 322.792 3.028 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)c1[O-] ZINC000808677520 626848305 /nfs/dbraw/zinc/84/83/05/626848305.db2.gz BGBMILPXQHZWCH-ZDUSSCGKSA-N 0 3 324.852 3.407 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)c1[O-] ZINC000808679832 626848904 /nfs/dbraw/zinc/84/89/04/626848904.db2.gz BPHJZBNVLCGTDL-OCCSQVGLSA-N 0 3 315.841 3.038 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1[O-] ZINC000808679830 626848982 /nfs/dbraw/zinc/84/89/82/626848982.db2.gz BPHJZBNVLCGTDL-GXTWGEPZSA-N 0 3 315.841 3.038 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)c1[O-] ZINC000808706834 626851865 /nfs/dbraw/zinc/85/18/65/626851865.db2.gz VYUVASWAIVIZHU-RMDKCXRXSA-N 0 3 303.855 3.162 20 10 DGCDHN CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCC1 ZINC000808715995 626853048 /nfs/dbraw/zinc/85/30/48/626853048.db2.gz HENAVWCIJOKNKN-LBPRGKRZSA-N 0 3 324.852 3.311 20 10 DGCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)cc(C)c1[O-] ZINC000809698530 626937763 /nfs/dbraw/zinc/93/77/63/626937763.db2.gz ZLHXRWJOPZGNSC-RLBTWZHOSA-N 0 3 307.821 3.209 20 10 DGCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(Cl)cc(C)c1[O-] ZINC000809698530 626937765 /nfs/dbraw/zinc/93/77/65/626937765.db2.gz ZLHXRWJOPZGNSC-RLBTWZHOSA-N 0 3 307.821 3.209 20 10 DGCDHN CN(C)CC[N@H+](CCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000809730769 626942661 /nfs/dbraw/zinc/94/26/61/626942661.db2.gz DQJBWTUTQCEFSK-UHFFFAOYSA-N 0 3 316.420 3.138 20 10 DGCDHN CN(C)CC[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000809730769 626942664 /nfs/dbraw/zinc/94/26/64/626942664.db2.gz DQJBWTUTQCEFSK-UHFFFAOYSA-N 0 3 316.420 3.138 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1ccccn1)Cc1ccncc1 ZINC000809762458 626948365 /nfs/dbraw/zinc/94/83/65/626948365.db2.gz OTOVCWDIZWLJKI-UHFFFAOYSA-N 0 3 319.408 3.427 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000809762458 626948368 /nfs/dbraw/zinc/94/83/68/626948368.db2.gz OTOVCWDIZWLJKI-UHFFFAOYSA-N 0 3 319.408 3.427 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000809768833 626949952 /nfs/dbraw/zinc/94/99/52/626949952.db2.gz YDWBOKFBFQJMFO-GOEBONIOSA-N 0 3 315.438 3.393 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000809768833 626949954 /nfs/dbraw/zinc/94/99/54/626949954.db2.gz YDWBOKFBFQJMFO-GOEBONIOSA-N 0 3 315.438 3.393 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c([O-])c1 ZINC000810178007 626985096 /nfs/dbraw/zinc/98/50/96/626985096.db2.gz HQDIIMRRSIXDPF-INIZCTEOSA-N 0 3 313.397 3.193 20 10 DGCDHN Cc1nnc(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)s1 ZINC000810243369 626992071 /nfs/dbraw/zinc/99/20/71/626992071.db2.gz NQQPUMQTCQXDJR-KWQFWETISA-N 0 3 307.394 3.072 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c([O-])c1 ZINC000886317929 627136089 /nfs/dbraw/zinc/13/60/89/627136089.db2.gz FAYJVLXGIUCFTB-MRXNPFEDSA-N 0 3 305.418 3.230 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(C)CCOC2(CCC2)C1 ZINC000886344812 627141018 /nfs/dbraw/zinc/14/10/18/627141018.db2.gz LSVOESVAXPPVDW-KRWDZBQOSA-N 0 3 305.418 3.230 20 10 DGCDHN COc1cccc(OC)c1CN[C@@H](C)c1c(O)cccc1F ZINC000886636151 627177767 /nfs/dbraw/zinc/17/77/67/627177767.db2.gz GSPQTJHVBQPGPP-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c([O-])c1 ZINC000886676513 627187411 /nfs/dbraw/zinc/18/74/11/627187411.db2.gz IIHJHHFQNVBIJL-BBRMVZONSA-N 0 3 303.377 3.094 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1ccccc1[O-] ZINC000886772223 627203236 /nfs/dbraw/zinc/20/32/36/627203236.db2.gz VMCZSGACFBXPFK-DHBZOUTCSA-N 0 3 319.445 3.406 20 10 DGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCc1cn[nH]c1 ZINC000811512655 627285256 /nfs/dbraw/zinc/28/52/56/627285256.db2.gz IVTHHSBUUACSKL-UHFFFAOYSA-N 0 3 323.396 3.027 20 10 DGCDHN COc1cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(O)cc1C ZINC000811803838 627322465 /nfs/dbraw/zinc/32/24/65/627322465.db2.gz TVDVJMOYOTXOBP-CQSZACIVSA-N 0 3 321.808 3.006 20 10 DGCDHN COc1cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811792388 627322624 /nfs/dbraw/zinc/32/26/24/627322624.db2.gz OHTLQGPXFNAZAP-AEFFLSMTSA-N 0 3 317.429 3.243 20 10 DGCDHN C[C@@H](NCc1c2c(nn1C)CCCC2)c1ccc(N(C)C)cc1 ZINC000812737981 627414889 /nfs/dbraw/zinc/41/48/89/627414889.db2.gz UZESJLCUHULBBA-CQSZACIVSA-N 0 3 312.461 3.216 20 10 DGCDHN COc1ccccc1-c1ncc(CNCc2ccccc2O)cn1 ZINC000813772135 627510614 /nfs/dbraw/zinc/51/06/14/627510614.db2.gz UFEOIAOXKHZUAD-UHFFFAOYSA-N 0 3 321.380 3.148 20 10 DGCDHN COc1cc(CN(C)Cc2ccc(N(C)C)c(C)c2)ccc1O ZINC000815036540 627618564 /nfs/dbraw/zinc/61/85/64/627618564.db2.gz XSXGZNDMKLNUDI-UHFFFAOYSA-N 0 3 314.429 3.407 20 10 DGCDHN Cc1cc(CN2CCc3ccccc3[C@@H]2CO)ccc1N(C)C ZINC000815073118 627622705 /nfs/dbraw/zinc/62/27/05/627622705.db2.gz GIILUWXNKZIQBZ-FQEVSTJZSA-N 0 3 310.441 3.153 20 10 DGCDHN CN1CCN(c2ccc(CNc3cccc(C4CC4)n3)cc2)CC1 ZINC000815143640 627636683 /nfs/dbraw/zinc/63/66/83/627636683.db2.gz MWZPKRJFTZIMMG-UHFFFAOYSA-N 0 3 322.456 3.323 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000925777873 627793848 /nfs/dbraw/zinc/79/38/48/627793848.db2.gz RGYSPTAYRLMUKL-GXFFZTMASA-N 0 3 318.795 3.331 20 10 DGCDHN C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@@H]21 ZINC000816521528 627801220 /nfs/dbraw/zinc/80/12/20/627801220.db2.gz ROVSMCVWMRVMPK-ABAIWWIYSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CCC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@@H]21 ZINC000816521528 627801221 /nfs/dbraw/zinc/80/12/21/627801221.db2.gz ROVSMCVWMRVMPK-ABAIWWIYSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@@H]21 ZINC000816521530 627801640 /nfs/dbraw/zinc/80/16/40/627801640.db2.gz ROVSMCVWMRVMPK-NHYWBVRUSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CCC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@@H]21 ZINC000816521530 627801645 /nfs/dbraw/zinc/80/16/45/627801645.db2.gz ROVSMCVWMRVMPK-NHYWBVRUSA-N 0 3 312.816 3.101 20 10 DGCDHN CN(CCC[NH+]1CCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816598671 627813626 /nfs/dbraw/zinc/81/36/26/627813626.db2.gz LKGRJYGNFNALST-UHFFFAOYSA-N 0 3 300.805 3.102 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000816627473 627816705 /nfs/dbraw/zinc/81/67/05/627816705.db2.gz OZWCXQXVIAVEGU-UHFFFAOYSA-N 0 3 314.282 3.277 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCCCN1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817950304 627972391 /nfs/dbraw/zinc/97/23/91/627972391.db2.gz SJVPYWCPUKNSDU-NXEZZACHSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817950304 627972394 /nfs/dbraw/zinc/97/23/94/627972394.db2.gz SJVPYWCPUKNSDU-NXEZZACHSA-N 0 3 303.233 3.492 20 10 DGCDHN CCCC[C@@H](CN)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817963202 627977078 /nfs/dbraw/zinc/97/70/78/627977078.db2.gz SFQIRPQCWJIUTB-JQWIXIFHSA-N 0 3 315.255 3.323 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000817973372 627979744 /nfs/dbraw/zinc/97/97/44/627979744.db2.gz DSHGVEVXCYEIFZ-SJKOYZFVSA-N 0 3 300.377 3.069 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccccc1[O-] ZINC000926925726 627982571 /nfs/dbraw/zinc/98/25/71/627982571.db2.gz KVIFPLPBEMQZKD-NWDGAFQWSA-N 0 3 302.340 3.070 20 10 DGCDHN C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000817979820 627982604 /nfs/dbraw/zinc/98/26/04/627982604.db2.gz OVHAJPUYLDNADJ-YOEHRIQHSA-N 0 3 323.431 3.325 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1nc3c(s1)CCC3)CC2 ZINC000926928761 627983113 /nfs/dbraw/zinc/98/31/13/627983113.db2.gz GJBIWUSTMQMVEB-CYBMUJFWSA-N 0 3 300.427 3.157 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCCCNC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983694 627983836 /nfs/dbraw/zinc/98/38/36/627983836.db2.gz IHXVKPAZGJUPPT-QWRGUYRKSA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@H](N[C@H]1CCCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983694 627983839 /nfs/dbraw/zinc/98/38/39/627983839.db2.gz IHXVKPAZGJUPPT-QWRGUYRKSA-N 0 3 302.340 3.204 20 10 DGCDHN CCO[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])CN(C)C ZINC000926965054 627990623 /nfs/dbraw/zinc/99/06/23/627990623.db2.gz ZWEGWFBGTHJFBH-HOCLYGCPSA-N 0 3 316.445 3.163 20 10 DGCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3nccs3)C2)cc1 ZINC000818343222 628015690 /nfs/dbraw/zinc/01/56/90/628015690.db2.gz ZRHUJVOSQBDAIY-KGLIPLIRSA-N 0 3 317.458 3.329 20 10 DGCDHN C[C@@H](N[C@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl ZINC000818356009 628018026 /nfs/dbraw/zinc/01/80/26/628018026.db2.gz HRFABOQRSHFYGV-WBMJQRKESA-N 0 3 306.837 3.380 20 10 DGCDHN CCOc1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000822515433 628459810 /nfs/dbraw/zinc/45/98/10/628459810.db2.gz ASJCITGQSSKMOB-IBGZPJMESA-N 0 3 315.413 3.130 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000822515433 628459812 /nfs/dbraw/zinc/45/98/12/628459812.db2.gz ASJCITGQSSKMOB-IBGZPJMESA-N 0 3 315.413 3.130 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000825145206 628732335 /nfs/dbraw/zinc/73/23/35/628732335.db2.gz WZRXZUQXDCYWLF-UHFFFAOYSA-N 0 3 301.333 3.041 20 10 DGCDHN Cc1cc([O-])c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1Cl ZINC000825885147 628806674 /nfs/dbraw/zinc/80/66/74/628806674.db2.gz DGAADLAAVHADHQ-ZFWWWQNUSA-N 0 3 308.853 3.413 20 10 DGCDHN C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1cc(F)ccc1[O-] ZINC000827106116 628922154 /nfs/dbraw/zinc/92/21/54/628922154.db2.gz OTKVRPYTEZRLFW-JTQLQIEISA-N 0 3 311.303 3.367 20 10 DGCDHN COc1cc(Cl)cc(CN[C@@H]2C[C@H](O)c3ccccc32)c1O ZINC000827179386 628932847 /nfs/dbraw/zinc/93/28/47/628932847.db2.gz WLPYBWTVORZCEQ-CABCVRRESA-N 0 3 319.788 3.322 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1[O-] ZINC000827179386 628932848 /nfs/dbraw/zinc/93/28/48/628932848.db2.gz WLPYBWTVORZCEQ-CABCVRRESA-N 0 3 319.788 3.322 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000827377358 628954486 /nfs/dbraw/zinc/95/44/86/628954486.db2.gz WOOLTCXEBWLCGW-HOCLYGCPSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000827377358 628954488 /nfs/dbraw/zinc/95/44/88/628954488.db2.gz WOOLTCXEBWLCGW-HOCLYGCPSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000827750529 628988045 /nfs/dbraw/zinc/98/80/45/628988045.db2.gz IPDSLTVUSLSLKQ-WMZOPIPTSA-N 0 3 321.417 3.002 20 10 DGCDHN C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1O ZINC000827930324 629004681 /nfs/dbraw/zinc/00/46/81/629004681.db2.gz GOSGLJBSPCLFMA-OAHLLOKOSA-N 0 3 324.424 3.479 20 10 DGCDHN COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000827951348 629007324 /nfs/dbraw/zinc/00/73/24/629007324.db2.gz XWIFGCSPXZQHDM-OAHLLOKOSA-N 0 3 321.804 3.186 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCC[C@H]1CCOC1)C[C@H]1CCCO1 ZINC000828062136 629019752 /nfs/dbraw/zinc/01/97/52/629019752.db2.gz BYIDBXQDPYGAFE-FUHWJXTLSA-N 0 3 319.445 3.190 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCC[C@H]1CCOC1)C[C@H]1CCCO1 ZINC000828062136 629019755 /nfs/dbraw/zinc/01/97/55/629019755.db2.gz BYIDBXQDPYGAFE-FUHWJXTLSA-N 0 3 319.445 3.190 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(Cn3cccn3)cc1)CC2 ZINC000834496381 629717539 /nfs/dbraw/zinc/71/75/39/629717539.db2.gz GARHJDIBBQKDOT-SFHVURJKSA-N 0 3 319.408 3.414 20 10 DGCDHN O=C1OCCN1c1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834526108 629720522 /nfs/dbraw/zinc/72/05/22/629720522.db2.gz DSDPJEUXTVSJNB-INIZCTEOSA-N 0 3 324.380 3.126 20 10 DGCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCc2ccccc2C1 ZINC000834538702 629723677 /nfs/dbraw/zinc/72/36/77/629723677.db2.gz WBKXQNZRNULWBF-KXBFYZLASA-N 0 3 322.452 3.416 20 10 DGCDHN COc1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c(OC)c1 ZINC000834547957 629725166 /nfs/dbraw/zinc/72/51/66/629725166.db2.gz ISRAFYYMLYIMCX-INIZCTEOSA-N 0 3 313.397 3.229 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C(=O)N1c1ccccc1 ZINC000834674005 629754619 /nfs/dbraw/zinc/75/46/19/629754619.db2.gz ZRYXPKHPKLVGLQ-XOKHGSTOSA-N 0 3 322.408 3.163 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1nnc(-c3ccccc3)o1)CC2 ZINC000834688671 629757912 /nfs/dbraw/zinc/75/79/12/629757912.db2.gz DAITWPDBROLBPH-OAHLLOKOSA-N 0 3 321.380 3.262 20 10 DGCDHN COCC[C@H](Cc1ccco1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834761969 629774664 /nfs/dbraw/zinc/77/46/64/629774664.db2.gz WLKBWKVIZWWGOX-ZBFHGGJFSA-N 0 3 301.386 3.210 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)CC2 ZINC000834802981 629782113 /nfs/dbraw/zinc/78/21/13/629782113.db2.gz HPUAYENINLTAJJ-HOCLYGCPSA-N 0 3 317.816 3.399 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000834828370 629785247 /nfs/dbraw/zinc/78/52/47/629785247.db2.gz SINYZIFLFYPPSS-AEFFLSMTSA-N 0 3 317.404 3.484 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccncc3)C1)CC2 ZINC000834895075 629800052 /nfs/dbraw/zinc/80/00/52/629800052.db2.gz XDLXYAVFJGGSSX-JFIYKMOQSA-N 0 3 310.397 3.284 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCO[C@@H](c3ccccn3)C1)CC2 ZINC000834903862 629803533 /nfs/dbraw/zinc/80/35/33/629803533.db2.gz LUJBQKNSHBXUCU-UWWQBHOKSA-N 0 3 310.397 3.284 20 10 DGCDHN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834903652 629803799 /nfs/dbraw/zinc/80/37/99/629803799.db2.gz KBFQZBUYLKTWSD-KFKAGJAMSA-N 0 3 318.461 3.131 20 10 DGCDHN Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1C ZINC000834912270 629807230 /nfs/dbraw/zinc/80/72/30/629807230.db2.gz CAFPKHXCJZJQMZ-PBHICJAKSA-N 0 3 317.404 3.402 20 10 DGCDHN Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1C ZINC000834912275 629807295 /nfs/dbraw/zinc/80/72/95/629807295.db2.gz CAFPKHXCJZJQMZ-WMLDXEAASA-N 0 3 317.404 3.402 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000834914553 629807747 /nfs/dbraw/zinc/80/77/47/629807747.db2.gz NPSBBVOZUPXANK-WHOFXGATSA-N 0 3 322.836 3.158 20 10 DGCDHN CN(C)c1ccc(/C=C\CN(C)[C@@H](CO)c2ccccc2)cc1 ZINC000835053456 629837412 /nfs/dbraw/zinc/83/74/12/629837412.db2.gz COWRAVANZPVKHC-AQWUKCDYSA-N 0 3 310.441 3.431 20 10 DGCDHN COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2c([O-])cccc2OC)c1 ZINC000835054618 629838312 /nfs/dbraw/zinc/83/83/12/629838312.db2.gz LSYHGZLIUFYWGZ-GFCCVEGCSA-N 0 3 319.376 3.269 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2c3c(nn2C)CCCC3)cc1 ZINC000835056565 629839613 /nfs/dbraw/zinc/83/96/13/629839613.db2.gz VTJMFWOBIOASQM-VOTSOKGWSA-N 0 3 324.472 3.168 20 10 DGCDHN COc1ccc(CNCc2cccc3c2OC(F)(F)O3)c(O)c1 ZINC000840940828 630381415 /nfs/dbraw/zinc/38/14/15/630381415.db2.gz HBJZXFFJVQIUGU-UHFFFAOYSA-N 0 3 323.295 3.012 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1[O-] ZINC000840959632 630386496 /nfs/dbraw/zinc/38/64/96/630386496.db2.gz XPWRUPDZAACGPB-CABZTGNLSA-N 0 3 316.264 3.447 20 10 DGCDHN C[C@H]1CN(Cc2cccc(F)c2[O-])c2cc(F)ccc2C[NH2+]1 ZINC000841046459 630401980 /nfs/dbraw/zinc/40/19/80/630401980.db2.gz BDLWHSVYOUSTSN-NSHDSACASA-N 0 3 304.340 3.169 20 10 DGCDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841298322 630424520 /nfs/dbraw/zinc/42/45/20/630424520.db2.gz ADTBJRFFWLMIBO-DOMZBBRYSA-N 0 3 316.405 3.113 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccnn1CC(C)C ZINC000842682099 630562560 /nfs/dbraw/zinc/56/25/60/630562560.db2.gz ZFQUQDNZVDGKBK-UHFFFAOYSA-N 0 3 300.450 3.203 20 10 DGCDHN CC[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000842885323 630589489 /nfs/dbraw/zinc/58/94/89/630589489.db2.gz NCNBUVBGKICEJV-DLBZAZTESA-N 0 3 317.477 3.193 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCc1cccs1 ZINC000842907926 630592806 /nfs/dbraw/zinc/59/28/06/630592806.db2.gz IJPOVEKZYUSWRF-SWLSCSKDSA-N 0 3 318.442 3.199 20 10 DGCDHN CCOc1cccc(CN(Cc2cnn(CC)c2)C(C)C)c1O ZINC000846056749 631208596 /nfs/dbraw/zinc/20/85/96/631208596.db2.gz ZHZFXVFPLMVANA-UHFFFAOYSA-N 0 3 317.433 3.418 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccccc1[O-] ZINC000846123676 631211092 /nfs/dbraw/zinc/21/10/92/631211092.db2.gz UDCFAJPLLQQNJE-JKSUJKDBSA-N 0 3 312.413 3.209 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c([O-])c1 ZINC000846181404 631213938 /nfs/dbraw/zinc/21/39/38/631213938.db2.gz ZQSDDEJNTJIBNP-FOIQADDNSA-N 0 3 311.425 3.228 20 10 DGCDHN CN(C)c1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848516914 631673002 /nfs/dbraw/zinc/67/30/02/631673002.db2.gz FVNLPYOCYZBUOD-QGZVFWFLSA-N 0 3 311.385 3.438 20 10 DGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCSC)c1[O-] ZINC000848513046 631673385 /nfs/dbraw/zinc/67/33/85/631673385.db2.gz COEPBJKDZBAYCN-MRVPVSSYSA-N 0 3 320.252 3.177 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)c([O-])c1 ZINC000848559199 631692214 /nfs/dbraw/zinc/69/22/14/631692214.db2.gz QLOVLAPNQUDHAC-DYVFJYSZSA-N 0 3 310.397 3.305 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c([O-])c1 ZINC000848559145 631693094 /nfs/dbraw/zinc/69/30/94/631693094.db2.gz AVHKQJJNTJZUAI-ROUUACIJSA-N 0 3 305.418 3.228 20 10 DGCDHN CCc1cccc(CNCc2cccnc2OC(C)C)c1O ZINC000848891364 631774532 /nfs/dbraw/zinc/77/45/32/631774532.db2.gz PNAJAPKUHRWMRC-UHFFFAOYSA-N 0 3 300.402 3.427 20 10 DGCDHN Oc1ccc(Cl)cc1CNc1ccc([C@@H]2CNCCO2)cc1 ZINC000849351680 631901769 /nfs/dbraw/zinc/90/17/69/631901769.db2.gz BAVQWGSFMXQKSQ-KRWDZBQOSA-N 0 3 318.804 3.319 20 10 DGCDHN COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000850113794 632059224 /nfs/dbraw/zinc/05/92/24/632059224.db2.gz VWBMTQZPGSGMQR-CQSZACIVSA-N 0 3 301.386 3.096 20 10 DGCDHN COc1cc(CN[C@@H](C)c2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850155821 632067450 /nfs/dbraw/zinc/06/74/50/632067450.db2.gz AMAWJKYOIQOQMC-LBPRGKRZSA-N 0 3 317.433 3.283 20 10 DGCDHN COc1ccc(N2CC[C@H](NCc3cc(F)ccc3F)C2)cc1 ZINC000850345462 632120017 /nfs/dbraw/zinc/12/00/17/632120017.db2.gz BAKJDQDPTYAKRJ-HNNXBMFYSA-N 0 3 318.367 3.342 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)CN2CCC(C)CC2)c([O-])c1 ZINC000850387550 632135762 /nfs/dbraw/zinc/13/57/62/632135762.db2.gz UNUXTYBGJMMMTO-OAHLLOKOSA-N 0 3 306.450 3.001 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)c([O-])c1 ZINC000850419400 632146867 /nfs/dbraw/zinc/14/68/67/632146867.db2.gz DKNQJEZPTADELT-ACJLOTCBSA-N 0 3 301.386 3.003 20 10 DGCDHN CC[C@H]([NH2+][C@@H](COC)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000850494748 632170669 /nfs/dbraw/zinc/17/06/69/632170669.db2.gz XXXJSMFCZAMDEU-IRXDYDNUSA-N 0 3 307.434 3.183 20 10 DGCDHN CC[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(C)cc1[O-] ZINC000850496040 632171488 /nfs/dbraw/zinc/17/14/88/632171488.db2.gz MKUBLIKZUQCLGW-GTJPDFRWSA-N 0 3 323.380 3.052 20 10 DGCDHN C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(F)ccc1[O-] ZINC000850566289 632196689 /nfs/dbraw/zinc/19/66/89/632196689.db2.gz KYJGONZSUXQFQL-JTQLQIEISA-N 0 3 303.324 3.122 20 10 DGCDHN CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC1 ZINC000850572575 632198309 /nfs/dbraw/zinc/19/83/09/632198309.db2.gz DLQQZJPUKJNAFY-CQSZACIVSA-N 0 3 317.429 3.481 20 10 DGCDHN C[N@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccccc1[O-] ZINC000109772767 632316363 /nfs/dbraw/zinc/31/63/63/632316363.db2.gz JYVJJJIEEKTBQR-UHFFFAOYSA-N 0 3 315.369 3.022 20 10 DGCDHN C[N@@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccccc1[O-] ZINC000109772767 632316365 /nfs/dbraw/zinc/31/63/65/632316365.db2.gz JYVJJJIEEKTBQR-UHFFFAOYSA-N 0 3 315.369 3.022 20 10 DGCDHN CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185021294 660199022 /nfs/dbraw/zinc/19/90/22/660199022.db2.gz CAQXYSCMJIGEGA-NSHDSACASA-N 0 3 302.349 3.341 20 10 DGCDHN COc1ccc(OC)c(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185186696 660206572 /nfs/dbraw/zinc/20/65/72/660206572.db2.gz SJBBCTSBIVYWIQ-LBPRGKRZSA-N 0 3 319.376 3.442 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c([O-])c1 ZINC000186230621 660350559 /nfs/dbraw/zinc/35/05/59/660350559.db2.gz QHAKACTYUQWQKB-CABCVRRESA-N 0 3 305.418 3.427 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c([O-])c1 ZINC000186230637 660350722 /nfs/dbraw/zinc/35/07/22/660350722.db2.gz QHAKACTYUQWQKB-GJZGRUSLSA-N 0 3 305.418 3.427 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CF)C2)c1[O-] ZINC000711501394 660955461 /nfs/dbraw/zinc/95/54/61/660955461.db2.gz DXMNGIIDMWRPKD-SNVBAGLBSA-N 0 3 302.187 3.255 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](CF)C2)c1[O-] ZINC000711501394 660955464 /nfs/dbraw/zinc/95/54/64/660955464.db2.gz DXMNGIIDMWRPKD-SNVBAGLBSA-N 0 3 302.187 3.255 20 10 DGCDHN [O-]c1cccnc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000793256235 661019039 /nfs/dbraw/zinc/01/90/39/661019039.db2.gz LERZTHFQPQMSFX-UHFFFAOYSA-N 0 3 306.365 3.450 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c(O)c1 ZINC000793386293 661029191 /nfs/dbraw/zinc/02/91/91/661029191.db2.gz KKWGFOJMXPNTHT-UHFFFAOYSA-N 0 3 307.777 3.358 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2C)c([O-])c1 ZINC000793387567 661029325 /nfs/dbraw/zinc/02/93/25/661029325.db2.gz HNEWCHSVGUTWNF-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN Cc1cc(O)c(CN2CCO[C@@]3(CCO[C@H]3C)C2)cc1C(C)C ZINC000794661305 661097044 /nfs/dbraw/zinc/09/70/44/661097044.db2.gz HDJYCBQYZMVQGV-KXBFYZLASA-N 0 3 319.445 3.204 20 10 DGCDHN Cc1cc(O)c(CN2CCO[C@@]3(CCO[C@@H]3C)C2)cc1C(C)C ZINC000794661300 661097360 /nfs/dbraw/zinc/09/73/60/661097360.db2.gz HDJYCBQYZMVQGV-BEFAXECRSA-N 0 3 319.445 3.204 20 10 DGCDHN CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794706329 661100209 /nfs/dbraw/zinc/10/02/09/661100209.db2.gz OVZRDCCQHSSANP-CJNGLKHVSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794706329 661100211 /nfs/dbraw/zinc/10/02/11/661100211.db2.gz OVZRDCCQHSSANP-CJNGLKHVSA-N 0 3 305.418 3.076 20 10 DGCDHN CC[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794799936 661105612 /nfs/dbraw/zinc/10/56/12/661105612.db2.gz ALNYXDJKTDXQKG-GOSISDBHSA-N 0 3 311.425 3.271 20 10 DGCDHN CC[C@H]([NH2+]CCc1nnc2ccccn21)c1ccc(C)cc1[O-] ZINC000794796030 661105781 /nfs/dbraw/zinc/10/57/81/661105781.db2.gz RHAHTJVVFPOKFH-HNNXBMFYSA-N 0 3 310.401 3.027 20 10 DGCDHN CC[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794802863 661105969 /nfs/dbraw/zinc/10/59/69/661105969.db2.gz OYJYUSDNPVXCMJ-RDJZCZTQSA-N 0 3 307.434 3.185 20 10 DGCDHN CC[C@@H]([NH2+]CCCNc1ncccn1)c1ccc(C)cc1[O-] ZINC000794810625 661106697 /nfs/dbraw/zinc/10/66/97/661106697.db2.gz MIQNUYYHLQYRFE-OAHLLOKOSA-N 0 3 300.406 3.034 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cncn2C)c1[O-] ZINC000289978365 655691256 /nfs/dbraw/zinc/69/12/56/655691256.db2.gz XUQZXRFHESLYIL-SNVBAGLBSA-N 0 3 324.222 3.047 20 10 DGCDHN CSCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000309837034 656075308 /nfs/dbraw/zinc/07/53/08/656075308.db2.gz BOMLBHMVBIZSCP-SECBINFHSA-N 0 3 304.253 3.477 20 10 DGCDHN CN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCCO1 ZINC000125348956 656272950 /nfs/dbraw/zinc/27/29/50/656272950.db2.gz LUKGXISHJMNEBN-HNNXBMFYSA-N 0 3 307.434 3.396 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cccnc2OC(C)C)c1 ZINC000320447656 657542526 /nfs/dbraw/zinc/54/25/26/657542526.db2.gz JFPWKTLBJKYYJO-CYBMUJFWSA-N 0 3 316.401 3.434 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCc2ccc(O)cc2)c1[O-] ZINC000228672503 659202040 /nfs/dbraw/zinc/20/20/40/659202040.db2.gz ABJJNVMHFTUTIR-UHFFFAOYSA-N 0 3 307.777 3.092 20 10 DGCDHN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000179566926 659933676 /nfs/dbraw/zinc/93/36/76/659933676.db2.gz MDIWJHYUMHKNBN-MRXNPFEDSA-N 0 3 324.424 3.034 20 10 DGCDHN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000179566926 659933678 /nfs/dbraw/zinc/93/36/78/659933678.db2.gz MDIWJHYUMHKNBN-MRXNPFEDSA-N 0 3 324.424 3.034 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccccc1[O-] ZINC000179873234 659944967 /nfs/dbraw/zinc/94/49/67/659944967.db2.gz TWBHBMKPPQNRBU-CQSZACIVSA-N 0 3 310.397 3.022 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1[O-] ZINC000179900692 659945213 /nfs/dbraw/zinc/94/52/13/659945213.db2.gz OPQCLWPGUVMXGQ-SECBINFHSA-N 0 3 324.302 3.099 20 10 DGCDHN Cc1cccc(CN2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000179944581 659947383 /nfs/dbraw/zinc/94/73/83/659947383.db2.gz MRHMNNRNFXJDDM-UHFFFAOYSA-N 0 3 320.433 3.001 20 10 DGCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](O)c1ccc(C)cc1 ZINC000180195795 659955339 /nfs/dbraw/zinc/95/53/39/659955339.db2.gz PHZKVPWULMVWKX-SFHVURJKSA-N 0 3 303.377 3.395 20 10 DGCDHN CC[N@H+](Cc1cc(F)ccc1[O-])C[C@H](O)c1ccc(C)cc1 ZINC000180195795 659955340 /nfs/dbraw/zinc/95/53/40/659955340.db2.gz PHZKVPWULMVWKX-SFHVURJKSA-N 0 3 303.377 3.395 20 10 DGCDHN COc1cc(C)cc(CN2CCc3c(cccc3OC)C2)c1O ZINC000181452369 660000643 /nfs/dbraw/zinc/00/06/43/660000643.db2.gz CBFRMBXDTMPRDS-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN CCCCC[C@@H](C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182406290 660051430 /nfs/dbraw/zinc/05/14/30/660051430.db2.gz VVDWINXUYUOJAT-KGLIPLIRSA-N 0 3 322.449 3.136 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183210249 660104343 /nfs/dbraw/zinc/10/43/43/660104343.db2.gz OTCXQXHCMNGMAN-INIZCTEOSA-N 0 3 305.324 3.324 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183210249 660104345 /nfs/dbraw/zinc/10/43/45/660104345.db2.gz OTCXQXHCMNGMAN-INIZCTEOSA-N 0 3 305.324 3.324 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccccc1[O-] ZINC000183393152 660109898 /nfs/dbraw/zinc/10/98/98/660109898.db2.gz WUQODLYZUXHESC-OAHLLOKOSA-N 0 3 307.397 3.488 20 10 DGCDHN C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccccc1[O-] ZINC000183604354 660126148 /nfs/dbraw/zinc/12/61/48/660126148.db2.gz FJMYGKAPJGYVKN-AWEZNQCLSA-N 0 3 304.434 3.129 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccccc1[O-] ZINC000183671815 660129837 /nfs/dbraw/zinc/12/98/37/660129837.db2.gz VNJJPCCTWGPJGR-QRHJNKNDSA-N 0 3 305.418 3.365 20 10 DGCDHN CC[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000156270741 661861345 /nfs/dbraw/zinc/86/13/45/661861345.db2.gz XNRZDFVZHBGECE-CQSZACIVSA-N 0 3 306.406 3.052 20 10 DGCDHN CCCN(CC[NH2+]Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000159274211 661884890 /nfs/dbraw/zinc/88/48/90/661884890.db2.gz HNKWUYCBJAHLJG-UHFFFAOYSA-N 0 3 308.422 3.129 20 10 DGCDHN CCCCCNC(=O)[C@@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000076073954 661966764 /nfs/dbraw/zinc/96/67/64/661966764.db2.gz YJKFXCGWICIEIR-OAHLLOKOSA-N 0 3 306.450 3.299 20 10 DGCDHN CCCCCNC(=O)[C@@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000076073954 661966767 /nfs/dbraw/zinc/96/67/67/661966767.db2.gz YJKFXCGWICIEIR-OAHLLOKOSA-N 0 3 306.450 3.299 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000076074408 661966897 /nfs/dbraw/zinc/96/68/97/661966897.db2.gz TVLNVRNFBVTWNR-CABCVRRESA-N 0 3 306.450 3.298 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000076074408 661966899 /nfs/dbraw/zinc/96/68/99/661966899.db2.gz TVLNVRNFBVTWNR-CABCVRRESA-N 0 3 306.450 3.298 20 10 DGCDHN Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000191564937 662072711 /nfs/dbraw/zinc/07/27/11/662072711.db2.gz XAMKVCDYHJRKJR-XJKSGUPXSA-N 0 3 303.377 3.094 20 10 DGCDHN CCCCNC(=O)c1ccc(CNCc2ccc(N)cc2)cc1 ZINC001577461715 1191903476 /nfs/dbraw/zinc/90/34/76/1191903476.db2.gz OPLQGGGNVBLDFJ-UHFFFAOYSA-N 0 3 311.429 3.089 20 10 DGCDHN N[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)CC(F)(F)F ZINC001580128239 1192008860 /nfs/dbraw/zinc/00/88/60/1192008860.db2.gz UJOGJVVFVUBSJM-ZDUSSCGKSA-N 0 3 316.367 3.417 20 10 DGCDHN N[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)CC(F)(F)F ZINC001580128239 1192008861 /nfs/dbraw/zinc/00/88/61/1192008861.db2.gz UJOGJVVFVUBSJM-ZDUSSCGKSA-N 0 3 316.367 3.417 20 10 DGCDHN [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H]1c1ccccc1F ZINC001580395250 1192024811 /nfs/dbraw/zinc/02/48/11/1192024811.db2.gz KXDWAWZEAKKRNG-GOEBONIOSA-N 0 3 320.795 3.111 20 10 DGCDHN CCCOc1ccc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)cc1C ZINC001620830195 1192283734 /nfs/dbraw/zinc/28/37/34/1192283734.db2.gz CNMFNRFJLMEQQA-INIZCTEOSA-N 0 3 318.461 3.273 20 10 DGCDHN CN(C)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001620852610 1192456968 /nfs/dbraw/zinc/45/69/68/1192456968.db2.gz AFTBBNQFZGHTIO-UHFFFAOYSA-N 0 3 324.472 3.117 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCSCCC(F)(F)F)c([O-])c1 ZINC001621482251 1192465421 /nfs/dbraw/zinc/46/54/21/1192465421.db2.gz QABWZILMRKVIME-UHFFFAOYSA-N 0 3 323.380 3.484 20 10 DGCDHN C[C@@H](N[C@@H](C)C(=O)c1c[nH]c2ncccc12)c1ccccc1O ZINC001460636474 1182702279 /nfs/dbraw/zinc/70/22/79/1182702279.db2.gz JHYMFZXPVSFJBN-NEPJUHHUSA-N 0 3 309.369 3.191 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12)c1ccccc1[O-] ZINC001460636474 1182702284 /nfs/dbraw/zinc/70/22/84/1182702284.db2.gz JHYMFZXPVSFJBN-NEPJUHHUSA-N 0 3 309.369 3.191 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1c(C2CC2)cnn1C ZINC001461636315 1182836530 /nfs/dbraw/zinc/83/65/30/1182836530.db2.gz DRCWUCJOWGDWTD-UHFFFAOYSA-N 0 3 308.429 3.387 20 10 DGCDHN C[C@@H](C[NH+](C)C)[C@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC001462463387 1182956290 /nfs/dbraw/zinc/95/62/90/1182956290.db2.gz VBQKJLZCGOHQJM-BLLLJJGKSA-N 0 3 312.404 3.223 20 10 DGCDHN C[C@@H](CN(C)C)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463387 1182956293 /nfs/dbraw/zinc/95/62/93/1182956293.db2.gz VBQKJLZCGOHQJM-BLLLJJGKSA-N 0 3 312.404 3.223 20 10 DGCDHN C[C@@H](CN(C)C)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463387 1182956298 /nfs/dbraw/zinc/95/62/98/1182956298.db2.gz VBQKJLZCGOHQJM-BLLLJJGKSA-N 0 3 312.404 3.223 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c([O-])c1 ZINC001462487376 1182961010 /nfs/dbraw/zinc/96/10/10/1182961010.db2.gz WLOGVSJAPNRNND-KRWDZBQOSA-N 0 3 307.434 3.394 20 10 DGCDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccccc1[O-] ZINC001473723391 1183793361 /nfs/dbraw/zinc/79/33/61/1183793361.db2.gz FACATHCRZARGQC-GFCCVEGCSA-N 0 3 302.349 3.211 20 10 DGCDHN CC[C@@H](C[NH2+]Cc1c(C)cc(OC)cc1[O-])C(=O)OC(C)(C)C ZINC001474715333 1183967045 /nfs/dbraw/zinc/96/70/45/1183967045.db2.gz GEXBWMUIQYRSNR-ZDUSSCGKSA-N 0 3 323.433 3.167 20 10 DGCDHN CC/C(C)=C(/C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539707386 1188200047 /nfs/dbraw/zinc/20/00/47/1188200047.db2.gz RDXPSTGOAUOBCN-OUFNUQFJSA-N 0 3 317.477 3.218 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@@H]2COC[C@H]2OCC)cc1 ZINC001560473005 1189331122 /nfs/dbraw/zinc/33/11/22/1189331122.db2.gz XAIYIFXVVOGXJA-RTBURBONSA-N 0 3 320.477 3.207 20 10 DGCDHN C[C@H](NC(=O)C(C)(C)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC001633315838 1194432039 /nfs/dbraw/zinc/43/20/39/1194432039.db2.gz YAHMBQQMFHKLPD-HNNXBMFYSA-N 0 3 317.477 3.194 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@H]2C[NH+]2CCCC2)cc1Cl ZINC001651828437 1195513641 /nfs/dbraw/zinc/51/36/41/1195513641.db2.gz RKHHXFOIKQLTFQ-HNNXBMFYSA-N 0 3 308.853 3.414 20 10 DGCDHN Cc1ccc(CN[C@@H]2c3sccc3OC(C)(C)[C@H]2O)c(O)c1 ZINC001652644773 1195631338 /nfs/dbraw/zinc/63/13/38/1195631338.db2.gz ISONSACNCLYXGQ-ZBFHGGJFSA-N 0 3 319.426 3.125 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c([O-])c1 ZINC001652744531 1195645035 /nfs/dbraw/zinc/64/50/35/1195645035.db2.gz CEJQMEWXOFIHMV-HNNXBMFYSA-N 0 3 305.418 3.243 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](OC3CCC3)C2)c([O-])c1 ZINC001652744531 1195645039 /nfs/dbraw/zinc/64/50/39/1195645039.db2.gz CEJQMEWXOFIHMV-HNNXBMFYSA-N 0 3 305.418 3.243 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(F)c(F)c1 ZINC001654532630 1195813682 /nfs/dbraw/zinc/81/36/82/1195813682.db2.gz YFSWHRSUDYPDIP-WDEREUQCSA-N 0 3 320.339 3.348 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCCC(C)(C)O2)cc1F ZINC001657089688 1196103415 /nfs/dbraw/zinc/10/34/15/1196103415.db2.gz PPXNJYLIUIMJHD-ZDUSSCGKSA-N 0 3 312.404 3.468 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC001657300649 1196128564 /nfs/dbraw/zinc/12/85/64/1196128564.db2.gz LVZMAISYURGCQT-AWEZNQCLSA-N 0 3 308.853 3.414 20 10 DGCDHN COc1cc(C)c(C[NH2+]Cc2cccc(OC)c2C)c([O-])c1 ZINC001659700215 1196407291 /nfs/dbraw/zinc/40/72/91/1196407291.db2.gz BZIGYOHERIWWLM-UHFFFAOYSA-N 0 3 301.386 3.316 20 10 DGCDHN CC(C)c1ccc(O)c(CN2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC001659826420 1196418321 /nfs/dbraw/zinc/41/83/21/1196418321.db2.gz ADEGYIHLPBLMTA-INIZCTEOSA-N 0 3 320.433 3.178 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2COc3c(F)cc(F)cc3C2)c([O-])c1 ZINC001660881599 1196538121 /nfs/dbraw/zinc/53/81/21/1196538121.db2.gz BRDUKCMXARTMOG-AWEZNQCLSA-N 0 3 305.324 3.072 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cccc(CO)c2)cc1F ZINC001661375488 1196599148 /nfs/dbraw/zinc/59/91/48/1196599148.db2.gz WLEGOLSTBISMPU-UHFFFAOYSA-N 0 3 316.420 3.454 20 10 DGCDHN CCN(CC)CC[N@@H+](Cc1cc(F)c(F)cc1[O-])CC(C)C ZINC001663870834 1196953052 /nfs/dbraw/zinc/95/30/52/1196953052.db2.gz QSTNJXSIBUKNFO-UHFFFAOYSA-N 0 3 314.420 3.470 20 10 DGCDHN CCN(CC)CC[N@H+](Cc1cc(F)c(F)cc1[O-])CC(C)C ZINC001663870834 1196953056 /nfs/dbraw/zinc/95/30/56/1196953056.db2.gz QSTNJXSIBUKNFO-UHFFFAOYSA-N 0 3 314.420 3.470 20 10 DGCDHN CC[NH+](CC)CCN(Cc1cc(F)c(F)cc1[O-])CC(C)C ZINC001663870834 1196953064 /nfs/dbraw/zinc/95/30/64/1196953064.db2.gz QSTNJXSIBUKNFO-UHFFFAOYSA-N 0 3 314.420 3.470 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(C)c(OC)n1 ZINC001664114227 1196972288 /nfs/dbraw/zinc/97/22/88/1196972288.db2.gz FVYCNNAOZCJRBL-UHFFFAOYSA-N 0 3 313.445 3.487 20 10 DGCDHN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1[O-] ZINC000120040493 1200129198 /nfs/dbraw/zinc/12/91/98/1200129198.db2.gz CNTLTIUTQNIOHH-UHFFFAOYSA-N 0 3 315.369 3.152 20 10 DGCDHN CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1[O-] ZINC000120040493 1200129202 /nfs/dbraw/zinc/12/92/02/1200129202.db2.gz CNTLTIUTQNIOHH-UHFFFAOYSA-N 0 3 315.369 3.152 20 10 DGCDHN CCOC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC001169652924 1081619915 /nfs/dbraw/zinc/61/99/15/1081619915.db2.gz SLYIHYCFTHDCHX-ZIAGYGMSSA-N 0 3 306.406 3.054 20 10 DGCDHN C[C@@H]1CCCCN1c1cccc(NCc2ccc(O)c(O)c2)n1 ZINC001169993336 1081806409 /nfs/dbraw/zinc/80/64/09/1081806409.db2.gz UJPXMXWZUDWTCO-CYBMUJFWSA-N 0 3 313.401 3.484 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000697891556 1087373317 /nfs/dbraw/zinc/37/33/17/1087373317.db2.gz ZAIHLIVYAPNTIU-CHWSQXEVSA-N 0 3 308.422 3.204 20 10 DGCDHN CCOc1cccc(C[N@H+](C(C)C)C2CCN(C)CC2)c1[O-] ZINC001203617902 1090767170 /nfs/dbraw/zinc/76/71/70/1090767170.db2.gz XOKNSWAOMMTUER-UHFFFAOYSA-N 0 3 306.450 3.096 20 10 DGCDHN CCOc1cccc(C[N@@H+](C(C)C)C2CCN(C)CC2)c1[O-] ZINC001203617902 1090767176 /nfs/dbraw/zinc/76/71/76/1090767176.db2.gz XOKNSWAOMMTUER-UHFFFAOYSA-N 0 3 306.450 3.096 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001203657133 1090774826 /nfs/dbraw/zinc/77/48/26/1090774826.db2.gz FVJSDYYRZANNMO-INIZCTEOSA-N 0 3 308.853 3.496 20 10 DGCDHN Cc1cnccc1O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203665431 1090775405 /nfs/dbraw/zinc/77/54/05/1090775405.db2.gz JUDSMXOIPDYIMC-HNNXBMFYSA-N 0 3 318.804 3.402 20 10 DGCDHN Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203665431 1090775411 /nfs/dbraw/zinc/77/54/11/1090775411.db2.gz JUDSMXOIPDYIMC-HNNXBMFYSA-N 0 3 318.804 3.402 20 10 DGCDHN COc1ccc(O)c(CN2CC[C@](CF)(C(F)(F)F)C2)c1 ZINC001203670756 1090777151 /nfs/dbraw/zinc/77/71/51/1090777151.db2.gz ZPNWMEPSVFXCQM-CYBMUJFWSA-N 0 3 307.287 3.125 20 10 DGCDHN COc1ccc(O)c(CN2CCOC[C@H]2C2CCCCC2)c1 ZINC001203680840 1090779032 /nfs/dbraw/zinc/77/90/32/1090779032.db2.gz GZHAKXGZCIWQJP-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc([C@H]2CCCN(Cc3ccc(O)c(O)c3)C2)c1 ZINC001203881650 1090826370 /nfs/dbraw/zinc/82/63/70/1090826370.db2.gz SDYMUCNKASJAKR-INIZCTEOSA-N 0 3 313.397 3.486 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@](CF)(C(F)(F)F)C2)cc1 ZINC001203929930 1090841369 /nfs/dbraw/zinc/84/13/69/1090841369.db2.gz JHLQIKUQXBKVTD-AWEZNQCLSA-N 0 3 304.331 3.477 20 10 DGCDHN CN(C)c1ccc(CN2CCN3CCc4ccccc4[C@@H]3C2)cc1 ZINC001203937644 1090844645 /nfs/dbraw/zinc/84/46/45/1090844645.db2.gz IMIGFLORZAZHOV-NRFANRHFSA-N 0 3 321.468 3.168 20 10 DGCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)cc1[O-] ZINC001204277273 1090938196 /nfs/dbraw/zinc/93/81/96/1090938196.db2.gz ASLSFZUDNKOMBQ-UHFFFAOYSA-N 0 3 300.402 3.186 20 10 DGCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)cc1[O-] ZINC001204277273 1090938198 /nfs/dbraw/zinc/93/81/98/1090938198.db2.gz ASLSFZUDNKOMBQ-UHFFFAOYSA-N 0 3 300.402 3.186 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(n2cnc3ccccc32)CC1 ZINC001204282454 1090939254 /nfs/dbraw/zinc/93/92/54/1090939254.db2.gz QXGKPIJZTPMPLX-UHFFFAOYSA-N 0 3 323.396 3.285 20 10 DGCDHN COc1cc(CN2CCC[C@@H](c3ccccc3)C2)cc(O)c1O ZINC001204341672 1090951719 /nfs/dbraw/zinc/95/17/19/1090951719.db2.gz FKUXQGVOIMHUIN-MRXNPFEDSA-N 0 3 313.397 3.486 20 10 DGCDHN O=c1[nH]ccc2c1CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138221044 1091119430 /nfs/dbraw/zinc/11/94/30/1091119430.db2.gz YEAILOTWHRLPCG-UHFFFAOYSA-N 0 3 323.440 3.336 20 10 DGCDHN Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c([O-])c1 ZINC001205254358 1091151361 /nfs/dbraw/zinc/15/13/61/1091151361.db2.gz ZSEBGMDYSPPEJO-LJQANCHMSA-N 0 3 311.425 3.474 20 10 DGCDHN Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c([O-])c1 ZINC001205254358 1091151362 /nfs/dbraw/zinc/15/13/62/1091151362.db2.gz ZSEBGMDYSPPEJO-LJQANCHMSA-N 0 3 311.425 3.474 20 10 DGCDHN CCN(CC)c1ccc(CN2CCOC[C@H](C)C2)c(OC)c1 ZINC001138385832 1091161328 /nfs/dbraw/zinc/16/13/28/1091161328.db2.gz AIMKVNWXDVCFHK-OAHLLOKOSA-N 0 3 306.450 3.010 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC3(COC3)CC2)c(OC)c1 ZINC001138387714 1091163756 /nfs/dbraw/zinc/16/37/56/1091163756.db2.gz IXMZAXMNEDIWNF-UHFFFAOYSA-N 0 3 318.461 3.154 20 10 DGCDHN CCN(CCC[NH+](CC)CC)Cc1ccc(F)c(F)c1[O-] ZINC001205692601 1091315151 /nfs/dbraw/zinc/31/51/51/1091315151.db2.gz GTKQQEQSXYBDCH-UHFFFAOYSA-N 0 3 300.393 3.224 20 10 DGCDHN N[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001206237599 1091544958 /nfs/dbraw/zinc/54/49/58/1091544958.db2.gz KCZZRPQGXVODNY-HNNXBMFYSA-N 0 3 310.319 3.011 20 10 DGCDHN N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001206237599 1091544963 /nfs/dbraw/zinc/54/49/63/1091544963.db2.gz KCZZRPQGXVODNY-HNNXBMFYSA-N 0 3 310.319 3.011 20 10 DGCDHN C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001206811503 1091750527 /nfs/dbraw/zinc/75/05/27/1091750527.db2.gz VQZOMMZBCGPADD-NXEZZACHSA-N 0 3 303.233 3.258 20 10 DGCDHN Cc1ccc(CN2CCN(Cc3cc(F)ccc3O)CC2)cc1 ZINC001140055482 1091752956 /nfs/dbraw/zinc/75/29/56/1091752956.db2.gz GPQMWHSYDVFXHB-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN CCOC(=O)C1(CC)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140060467 1091754834 /nfs/dbraw/zinc/75/48/34/1091754834.db2.gz XHDOWFVSKRPLFJ-UHFFFAOYSA-N 0 3 309.381 3.087 20 10 DGCDHN Cc1c[nH+]ccc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140342654 1091835074 /nfs/dbraw/zinc/83/50/74/1091835074.db2.gz SNGGOSCOZWVPHR-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC001140461424 1091874654 /nfs/dbraw/zinc/87/46/54/1091874654.db2.gz MAIUFMACCGVUAB-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN Cc1ccc(O)c(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001140623212 1091935004 /nfs/dbraw/zinc/93/50/04/1091935004.db2.gz LIABIDSJQFMSLQ-UHFFFAOYSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c([O-])c1 ZINC001140948237 1092075022 /nfs/dbraw/zinc/07/50/22/1092075022.db2.gz ZBTKJOHCUJINLA-WFASDCNBSA-N 0 3 317.351 3.226 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c([O-])c1 ZINC001140948237 1092075035 /nfs/dbraw/zinc/07/50/35/1092075035.db2.gz ZBTKJOHCUJINLA-WFASDCNBSA-N 0 3 317.351 3.226 20 10 DGCDHN COc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950180 1092076922 /nfs/dbraw/zinc/07/69/22/1092076922.db2.gz UIWNCTHKIKMJHP-MRXNPFEDSA-N 0 3 313.397 3.363 20 10 DGCDHN COc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950180 1092076930 /nfs/dbraw/zinc/07/69/30/1092076930.db2.gz UIWNCTHKIKMJHP-MRXNPFEDSA-N 0 3 313.397 3.363 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c([O-])c1 ZINC001140953728 1092079793 /nfs/dbraw/zinc/07/97/93/1092079793.db2.gz FLLSJUWXSUCRKR-UHFFFAOYSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC(=O)N[C@@H]1CCCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117172 1092618534 /nfs/dbraw/zinc/61/85/34/1092618534.db2.gz WGHRSXQKIVFPIV-OAHLLOKOSA-N 0 3 318.461 3.180 20 10 DGCDHN CCOC(=O)c1c(C)[nH]c(CN(C)Cc2ccccc2O)c1C ZINC001209610992 1092848814 /nfs/dbraw/zinc/84/88/14/1092848814.db2.gz NAWPBBLDSZGEKZ-UHFFFAOYSA-N 0 3 316.401 3.146 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC[C@@H](OC(C)C)C2)c1O ZINC000404584948 1094261417 /nfs/dbraw/zinc/26/14/17/1094261417.db2.gz SWKITOXGDODPJC-CQSZACIVSA-N 0 3 313.825 3.444 20 10 DGCDHN CC1CCN(c2ccc(CNCc3ccc(N)cc3)cn2)CC1 ZINC001336284519 1094614296 /nfs/dbraw/zinc/61/42/96/1094614296.db2.gz ATXDTBBBAKFOEQ-UHFFFAOYSA-N 0 3 310.445 3.190 20 10 DGCDHN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222320762 1095550977 /nfs/dbraw/zinc/55/09/77/1095550977.db2.gz MSJNKVOGHHEIHG-INIZCTEOSA-N 0 3 312.816 3.293 20 10 DGCDHN Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3C)c(C)n1-c1ccccc1 ZINC001137858996 1095769327 /nfs/dbraw/zinc/76/93/27/1095769327.db2.gz DSNKYKKVOCBLPA-BGYRXZFFSA-N 0 3 309.457 3.373 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171513080 1096915277 /nfs/dbraw/zinc/91/52/77/1096915277.db2.gz TUTKQYDRWJZHTA-NSHDSACASA-N 0 3 323.314 3.162 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171517576 1096916187 /nfs/dbraw/zinc/91/61/87/1096916187.db2.gz OWYCNGIDYKJIOK-LLVKDONJSA-N 0 3 323.314 3.162 20 10 DGCDHN CCSC[C@H](C)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001173316839 1097427702 /nfs/dbraw/zinc/42/77/02/1097427702.db2.gz ZETRTXUNDMBDIF-HNNXBMFYSA-N 0 3 308.491 3.267 20 10 DGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1COC1 ZINC001231470377 1097756166 /nfs/dbraw/zinc/75/61/66/1097756166.db2.gz WLCGMKMEYVPVJW-UHFFFAOYSA-N 0 3 313.397 3.049 20 10 DGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1COC1 ZINC001231470377 1097756168 /nfs/dbraw/zinc/75/61/68/1097756168.db2.gz WLCGMKMEYVPVJW-UHFFFAOYSA-N 0 3 313.397 3.049 20 10 DGCDHN COC(CN(Cc1ccccc1)Cc1cccc(C)c1O)OC ZINC001231590633 1097785049 /nfs/dbraw/zinc/78/50/49/1097785049.db2.gz CMWYRPHOTAADBH-UHFFFAOYSA-N 0 3 315.413 3.322 20 10 DGCDHN O=c1[nH]ccc2c1CC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231590471 1097786315 /nfs/dbraw/zinc/78/63/15/1097786315.db2.gz CPDQPHUYSBZFRC-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN O=c1[nH]ccc2c1CC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231590471 1097786319 /nfs/dbraw/zinc/78/63/19/1097786319.db2.gz CPDQPHUYSBZFRC-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN Cc1cc(C)c(CN2CC3(CCN3Cc3ccccc3)C2)c(O)c1 ZINC001231846397 1097862042 /nfs/dbraw/zinc/86/20/42/1097862042.db2.gz LBSKSILWSJVIHX-UHFFFAOYSA-N 0 3 322.452 3.469 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccc(N(C)C)cc1OC ZINC001231855063 1097865611 /nfs/dbraw/zinc/86/56/11/1097865611.db2.gz PYTJAVRBMBSERQ-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccc(N(C)C)cc1OC ZINC001231855063 1097865616 /nfs/dbraw/zinc/86/56/16/1097865616.db2.gz PYTJAVRBMBSERQ-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001231869974 1097870005 /nfs/dbraw/zinc/87/00/05/1097870005.db2.gz CTJMDICLYNUOBL-AWEZNQCLSA-N 0 3 317.763 3.354 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001231869974 1097870011 /nfs/dbraw/zinc/87/00/11/1097870011.db2.gz CTJMDICLYNUOBL-AWEZNQCLSA-N 0 3 317.763 3.354 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1cc(F)ccc1F ZINC001175418464 1098039188 /nfs/dbraw/zinc/03/91/88/1098039188.db2.gz LCMVRVLTQCLJGL-GHMZBOCLSA-N 0 3 320.339 3.348 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cccc(F)c1 ZINC001175418454 1098039856 /nfs/dbraw/zinc/03/98/56/1098039856.db2.gz KRNFBGZRBLYUHT-RYUDHWBXSA-N 0 3 302.349 3.209 20 10 DGCDHN CC(C)CN(Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233009873 1098202551 /nfs/dbraw/zinc/20/25/51/1098202551.db2.gz FDWRVTWOKTZAOU-UHFFFAOYSA-N 0 3 301.386 3.462 20 10 DGCDHN CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233454672 1098339585 /nfs/dbraw/zinc/33/95/85/1098339585.db2.gz FCSODAYKGGZAED-CQSZACIVSA-N 0 3 316.367 3.327 20 10 DGCDHN Oc1cc(O)c(CN2CCC[C@H]2c2cccc(F)c2)cc1O ZINC001233484899 1098345835 /nfs/dbraw/zinc/34/58/35/1098345835.db2.gz BNXDDLFGJDARNZ-AWEZNQCLSA-N 0 3 303.333 3.280 20 10 DGCDHN C[C@]1(CF)CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726852 1098416571 /nfs/dbraw/zinc/41/65/71/1098416571.db2.gz IVQMOPIKIQBFAT-CYBMUJFWSA-N 0 3 307.287 3.472 20 10 DGCDHN C[C@]1(CF)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726852 1098416574 /nfs/dbraw/zinc/41/65/74/1098416574.db2.gz IVQMOPIKIQBFAT-CYBMUJFWSA-N 0 3 307.287 3.472 20 10 DGCDHN C[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C[C@@H]1CCCCO1 ZINC001233761793 1098424914 /nfs/dbraw/zinc/42/49/14/1098424914.db2.gz YZGRDKJLSNZKJD-LBPRGKRZSA-N 0 3 319.323 3.292 20 10 DGCDHN C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C[C@@H]1CCCCO1 ZINC001233761793 1098424915 /nfs/dbraw/zinc/42/49/15/1098424915.db2.gz YZGRDKJLSNZKJD-LBPRGKRZSA-N 0 3 319.323 3.292 20 10 DGCDHN C[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C[C@H]1CCCCO1 ZINC001233761792 1098425109 /nfs/dbraw/zinc/42/51/09/1098425109.db2.gz YZGRDKJLSNZKJD-GFCCVEGCSA-N 0 3 319.323 3.292 20 10 DGCDHN C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C[C@H]1CCCCO1 ZINC001233761792 1098425110 /nfs/dbraw/zinc/42/51/10/1098425110.db2.gz YZGRDKJLSNZKJD-GFCCVEGCSA-N 0 3 319.323 3.292 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@](C)(O)[C@H](C)C3)c2c1 ZINC001234526253 1098580546 /nfs/dbraw/zinc/58/05/46/1098580546.db2.gz RMXBERSNCNWRHF-YJYMSZOUSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@](C)(O)[C@H](C)C3)c2c1 ZINC001234526253 1098580557 /nfs/dbraw/zinc/58/05/57/1098580557.db2.gz RMXBERSNCNWRHF-YJYMSZOUSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4CCO[C@H]4C3)c2c1 ZINC001234526092 1098581466 /nfs/dbraw/zinc/58/14/66/1098581466.db2.gz QIHRNCNZFXYFMO-KUHUBIRLSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4CCO[C@H]4C3)c2c1 ZINC001234526092 1098581474 /nfs/dbraw/zinc/58/14/74/1098581474.db2.gz QIHRNCNZFXYFMO-KUHUBIRLSA-N 0 3 313.397 3.165 20 10 DGCDHN CCCCOC[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657542 1098634797 /nfs/dbraw/zinc/63/47/97/1098634797.db2.gz DSLRKUCRTLLICT-QGZVFWFLSA-N 0 3 320.477 3.413 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H](C)CC(C)(C)OC)cc2)CC1 ZINC001234660429 1098637194 /nfs/dbraw/zinc/63/71/94/1098637194.db2.gz IFNQGMLCLOTXHE-MRXNPFEDSA-N 0 3 320.477 3.411 20 10 DGCDHN [O-]c1c(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)cccc1-c1ccccc1 ZINC001235002483 1098745033 /nfs/dbraw/zinc/74/50/33/1098745033.db2.gz QNZSWAHSSBFSKL-MSOLQXFVSA-N 0 3 315.388 3.354 20 10 DGCDHN [O-]c1c(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)cccc1-c1ccccc1 ZINC001235002483 1098745043 /nfs/dbraw/zinc/74/50/43/1098745043.db2.gz QNZSWAHSSBFSKL-MSOLQXFVSA-N 0 3 315.388 3.354 20 10 DGCDHN [O-]c1c(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)cccc1-c1ccccc1 ZINC001235002491 1098745364 /nfs/dbraw/zinc/74/53/64/1098745364.db2.gz QNZSWAHSSBFSKL-ZWKOTPCHSA-N 0 3 315.388 3.354 20 10 DGCDHN [O-]c1c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)cccc1-c1ccccc1 ZINC001235002491 1098745374 /nfs/dbraw/zinc/74/53/74/1098745374.db2.gz QNZSWAHSSBFSKL-ZWKOTPCHSA-N 0 3 315.388 3.354 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC3CC2(C[NH3+])C3)cc1Cl ZINC001235008724 1098749515 /nfs/dbraw/zinc/74/95/15/1098749515.db2.gz TYYMRLJDBBDGDN-UHFFFAOYSA-N 0 3 308.853 3.266 20 10 DGCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c([O-])c1 ZINC001235678683 1099121791 /nfs/dbraw/zinc/12/17/91/1099121791.db2.gz KTVVKCIGLNMTFK-UHFFFAOYSA-N 0 3 317.429 3.219 20 10 DGCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC12CC2 ZINC001235682484 1099126539 /nfs/dbraw/zinc/12/65/39/1099126539.db2.gz XEZMQMBRVOQVHS-OAHLLOKOSA-N 0 3 317.429 3.075 20 10 DGCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC12CC2 ZINC001235682484 1099126544 /nfs/dbraw/zinc/12/65/44/1099126544.db2.gz XEZMQMBRVOQVHS-OAHLLOKOSA-N 0 3 317.429 3.075 20 10 DGCDHN COc1cc([O-])c(CN(C(C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236470515 1099630269 /nfs/dbraw/zinc/63/02/69/1099630269.db2.gz JDJGZCUOKOPRHC-CYBMUJFWSA-N 0 3 312.841 3.017 20 10 DGCDHN CCC(CC)[N@H+](C)Cc1cc(O)c(Br)cc1[O-] ZINC001236770857 1099776083 /nfs/dbraw/zinc/77/60/83/1099776083.db2.gz KZTPYDRJIOVYTM-UHFFFAOYSA-N 0 3 302.212 3.481 20 10 DGCDHN CCC(CC)[N@@H+](C)Cc1cc(O)c(Br)cc1[O-] ZINC001236770857 1099776089 /nfs/dbraw/zinc/77/60/89/1099776089.db2.gz KZTPYDRJIOVYTM-UHFFFAOYSA-N 0 3 302.212 3.481 20 10 DGCDHN CCc1ccc(CN2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC001236785401 1099782480 /nfs/dbraw/zinc/78/24/80/1099782480.db2.gz JBLYSBMUSPCXCT-UHFFFAOYSA-N 0 3 310.441 3.272 20 10 DGCDHN CCc1ccc(C[NH+]2CCC(c3nnc(C)o3)CC2)c([O-])c1 ZINC001236789614 1099782509 /nfs/dbraw/zinc/78/25/09/1099782509.db2.gz CLGQVCUWFZXVSJ-UHFFFAOYSA-N 0 3 301.390 3.026 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001236788651 1099785070 /nfs/dbraw/zinc/78/50/70/1099785070.db2.gz WDPJCAMRMAJQCW-RBUKOAKNSA-N 0 3 311.425 3.133 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001236788651 1099785077 /nfs/dbraw/zinc/78/50/77/1099785077.db2.gz WDPJCAMRMAJQCW-RBUKOAKNSA-N 0 3 311.425 3.133 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001236791733 1099787332 /nfs/dbraw/zinc/78/73/32/1099787332.db2.gz JDHVJEWHHFWVRU-HNNXBMFYSA-N 0 3 301.390 3.026 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001236791733 1099787340 /nfs/dbraw/zinc/78/73/40/1099787340.db2.gz JDHVJEWHHFWVRU-HNNXBMFYSA-N 0 3 301.390 3.026 20 10 DGCDHN COC(=O)CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C1CCCC1 ZINC001236813670 1099801602 /nfs/dbraw/zinc/80/16/02/1099801602.db2.gz MJVNAOPUKCWBFN-UHFFFAOYSA-N 0 3 321.417 3.017 20 10 DGCDHN COC(=O)CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C1CCCC1 ZINC001236813670 1099801607 /nfs/dbraw/zinc/80/16/07/1099801607.db2.gz MJVNAOPUKCWBFN-UHFFFAOYSA-N 0 3 321.417 3.017 20 10 DGCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236826145 1099811838 /nfs/dbraw/zinc/81/18/38/1099811838.db2.gz HDZQPPAOAHUHKN-CZUORRHYSA-N 0 3 313.397 3.319 20 10 DGCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236826145 1099811856 /nfs/dbraw/zinc/81/18/56/1099811856.db2.gz HDZQPPAOAHUHKN-CZUORRHYSA-N 0 3 313.397 3.319 20 10 DGCDHN O=C1CCC[C@]2(CCC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)N1 ZINC001236833753 1099820630 /nfs/dbraw/zinc/82/06/30/1099820630.db2.gz YALUJDIKXGFKHG-HXUWFJFHSA-N 0 3 324.424 3.180 20 10 DGCDHN O=C1CCC[C@]2(CCC[N@H+](Cc3cc4ccccc4cc3[O-])C2)N1 ZINC001236833753 1099820640 /nfs/dbraw/zinc/82/06/40/1099820640.db2.gz YALUJDIKXGFKHG-HXUWFJFHSA-N 0 3 324.424 3.180 20 10 DGCDHN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)cc1Cl ZINC001236917989 1099876675 /nfs/dbraw/zinc/87/66/75/1099876675.db2.gz DFYGYHWVUYOXAZ-QRTARXTBSA-N 0 3 324.827 3.109 20 10 DGCDHN CC(C)c1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001237044850 1099942165 /nfs/dbraw/zinc/94/21/65/1099942165.db2.gz DZUYMBQPQCSLRQ-AWEZNQCLSA-N 0 3 303.324 3.015 20 10 DGCDHN CCCNC(=O)[C@@H]1CCCCN1Cc1ccc(C(C)C)cc1O ZINC001237054472 1099948108 /nfs/dbraw/zinc/94/81/08/1099948108.db2.gz ZFAPAASIRXWTAW-KRWDZBQOSA-N 0 3 318.461 3.396 20 10 DGCDHN C[NH+](C)CC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237082993 1099962496 /nfs/dbraw/zinc/96/24/96/1099962496.db2.gz VIWTUXKJWLBOFZ-UHFFFAOYSA-N 0 3 317.260 3.473 20 10 DGCDHN CO[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@H](C)C1 ZINC001237139702 1099989716 /nfs/dbraw/zinc/98/97/16/1099989716.db2.gz BWWGQEBWTSQEQT-MFKMUULPSA-N 0 3 303.324 3.410 20 10 DGCDHN CO[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@H](C)C1 ZINC001237139702 1099989722 /nfs/dbraw/zinc/98/97/22/1099989722.db2.gz BWWGQEBWTSQEQT-MFKMUULPSA-N 0 3 303.324 3.410 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@]1(C)O ZINC001237138237 1099990507 /nfs/dbraw/zinc/99/05/07/1099990507.db2.gz WCGOFKBJZRUHDL-YGRLFVJLSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@]1(C)O ZINC001237138237 1099990517 /nfs/dbraw/zinc/99/05/17/1099990517.db2.gz WCGOFKBJZRUHDL-YGRLFVJLSA-N 0 3 303.324 3.004 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCNC4=CCCC[C@H]43)c2c1 ZINC001237228296 1100039708 /nfs/dbraw/zinc/03/97/08/1100039708.db2.gz JDTZASYTDHUKKS-LJQANCHMSA-N 0 3 324.424 3.396 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCNC4=CCCC[C@H]43)c2c1 ZINC001237228296 1100039716 /nfs/dbraw/zinc/03/97/16/1100039716.db2.gz JDTZASYTDHUKKS-LJQANCHMSA-N 0 3 324.424 3.396 20 10 DGCDHN CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488401 1100142130 /nfs/dbraw/zinc/14/21/30/1100142130.db2.gz LIAQFCSDSXBDAA-LJQANCHMSA-N 0 3 316.445 3.068 20 10 DGCDHN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237488401 1100142137 /nfs/dbraw/zinc/14/21/37/1100142137.db2.gz LIAQFCSDSXBDAA-LJQANCHMSA-N 0 3 316.445 3.068 20 10 DGCDHN COc1cccc(CN(C)Cc2c(C)cccc2O)c1OC ZINC001237492916 1100143986 /nfs/dbraw/zinc/14/39/86/1100143986.db2.gz UNFBEQRUCIDFBE-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCC(O)CC1 ZINC001237642125 1100199200 /nfs/dbraw/zinc/19/92/00/1100199200.db2.gz ZVAGNAROLUDRDR-UHFFFAOYSA-N 0 3 301.361 3.155 20 10 DGCDHN COc1cc(CN2Cc3ccccc3C[C@@H]2C)c(O)c(OC)c1 ZINC001237681637 1100212487 /nfs/dbraw/zinc/21/24/87/1100212487.db2.gz RCKJMHODRYWQAW-ZDUSSCGKSA-N 0 3 313.397 3.356 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])[C@@H]1C ZINC001237687146 1100214278 /nfs/dbraw/zinc/21/42/78/1100214278.db2.gz RMYPSTUCOQRNHI-BXUZGUMPSA-N 0 3 311.809 3.128 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])[C@@H]1C ZINC001237687146 1100214290 /nfs/dbraw/zinc/21/42/90/1100214290.db2.gz RMYPSTUCOQRNHI-BXUZGUMPSA-N 0 3 311.809 3.128 20 10 DGCDHN Cc1cc(Cl)cc(C[NH+]2CCC(c3ccn(C)n3)CC2)c1[O-] ZINC001237690401 1100215227 /nfs/dbraw/zinc/21/52/27/1100215227.db2.gz XDMGKCUGPZPKMC-UHFFFAOYSA-N 0 3 319.836 3.467 20 10 DGCDHN Cc1cc(F)cc(CN(C)Cc2ccc3c(c2)OCO3)c1O ZINC001238071459 1100351381 /nfs/dbraw/zinc/35/13/81/1100351381.db2.gz XSRMQEIAIKLRKY-UHFFFAOYSA-N 0 3 303.333 3.200 20 10 DGCDHN Oc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1O ZINC001203882691 1101645569 /nfs/dbraw/zinc/64/55/69/1101645569.db2.gz QXLSIDJRXCFMFK-UHFFFAOYSA-N 0 3 311.381 3.119 20 10 DGCDHN Cc1cc(CN2CCN(C3CC3)CC2)c(C)n1-c1ccccc1 ZINC001137854000 1103065053 /nfs/dbraw/zinc/06/50/53/1103065053.db2.gz DRJBXNVLBBVCDR-UHFFFAOYSA-N 0 3 309.457 3.374 20 10 DGCDHN Oc1cccc2c1[C@@H](NCc1cc(OCC(F)F)ccn1)CC2 ZINC001326623727 1103389771 /nfs/dbraw/zinc/38/97/71/1103389771.db2.gz TYHOTPRIYVKXCY-AWEZNQCLSA-N 0 3 320.339 3.208 20 10 DGCDHN Cn1cc(-c2ccc(CNCc3ccc4c(c3)CCO4)cc2)cn1 ZINC001326828336 1103455976 /nfs/dbraw/zinc/45/59/76/1103455976.db2.gz QPNDOTPLWXFWQP-UHFFFAOYSA-N 0 3 319.408 3.312 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@@]2(C)CCO[C@H]2C2CC2)cc1F ZINC001328688195 1104022312 /nfs/dbraw/zinc/02/23/12/1104022312.db2.gz HCYYAZGYSLFSSI-IRXDYDNUSA-N 0 3 310.388 3.078 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@]2(C)CCO[C@@H]2C2CC2)cc1F ZINC001328688194 1104022494 /nfs/dbraw/zinc/02/24/94/1104022494.db2.gz HCYYAZGYSLFSSI-IAGOWNOFSA-N 0 3 310.388 3.078 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001249208511 1105247667 /nfs/dbraw/zinc/24/76/67/1105247667.db2.gz UZLBHLGGPIHPRZ-DOTOQJQBSA-N 0 3 317.429 3.262 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001249208511 1105247673 /nfs/dbraw/zinc/24/76/73/1105247673.db2.gz UZLBHLGGPIHPRZ-DOTOQJQBSA-N 0 3 317.429 3.262 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@@H]1O ZINC001249223836 1105249337 /nfs/dbraw/zinc/24/93/37/1105249337.db2.gz OLSZXCCUACEHGO-CJNGLKHVSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@@H]1O ZINC001249223836 1105249341 /nfs/dbraw/zinc/24/93/41/1105249341.db2.gz OLSZXCCUACEHGO-CJNGLKHVSA-N 0 3 317.429 3.169 20 10 DGCDHN COCC1CC[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249223456 1105249829 /nfs/dbraw/zinc/24/98/29/1105249829.db2.gz GVEWIRYYKKMISG-UHFFFAOYSA-N 0 3 317.429 3.435 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@@]1(C)O ZINC001249223853 1105250123 /nfs/dbraw/zinc/25/01/23/1105250123.db2.gz OYYSHJRPUCVHAM-BFUOFWGJSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@@]1(C)O ZINC001249223853 1105250126 /nfs/dbraw/zinc/25/01/26/1105250126.db2.gz OYYSHJRPUCVHAM-BFUOFWGJSA-N 0 3 317.429 3.169 20 10 DGCDHN CCCC[C@@H](CC)COC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC001253010738 1105876309 /nfs/dbraw/zinc/87/63/09/1105876309.db2.gz WIPLQZIMOKSQEX-AEFFLSMTSA-N 0 3 323.477 3.418 20 10 DGCDHN CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC001253010738 1105876316 /nfs/dbraw/zinc/87/63/16/1105876316.db2.gz WIPLQZIMOKSQEX-AEFFLSMTSA-N 0 3 323.477 3.418 20 10 DGCDHN CCCCC[C@H](O)CN1CCN(c2ccc(OC)cc2C)CC1 ZINC001253540864 1105954185 /nfs/dbraw/zinc/95/41/85/1105954185.db2.gz ICWGAPJXNWLEMA-KRWDZBQOSA-N 0 3 320.477 3.067 20 10 DGCDHN CN1CCC[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001254504330 1106085855 /nfs/dbraw/zinc/08/58/55/1106085855.db2.gz UEAUJQWPLJAQFV-CYBMUJFWSA-N 0 3 319.836 3.168 20 10 DGCDHN CCOc1ccc(N2CCN(CCCCCCCO)CC2)cc1 ZINC001319715531 1108607608 /nfs/dbraw/zinc/60/76/08/1108607608.db2.gz SRYIKEDVJONJOO-UHFFFAOYSA-N 0 3 320.477 3.150 20 10 DGCDHN CC[C@H](C)[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289599748 1110216218 /nfs/dbraw/zinc/21/62/18/1110216218.db2.gz IHLIBVRCCZFOOB-MPGHIAIKSA-N 0 3 319.493 3.154 20 10 DGCDHN CCCn1cc(CNCc2ccc(N(C)C)cc2C)c(C)n1 ZINC001308261990 1111407076 /nfs/dbraw/zinc/40/70/76/1111407076.db2.gz QBCOYFAEOARWMM-UHFFFAOYSA-N 0 3 300.450 3.266 20 10 DGCDHN CCCO[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001308633685 1111453396 /nfs/dbraw/zinc/45/33/96/1111453396.db2.gz NBCOPWOOXQXQSV-HNNXBMFYSA-N 0 3 307.434 3.490 20 10 DGCDHN CCCO[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001308633685 1111453397 /nfs/dbraw/zinc/45/33/97/1111453397.db2.gz NBCOPWOOXQXQSV-HNNXBMFYSA-N 0 3 307.434 3.490 20 10 DGCDHN CCc1ccc([C@@H](O)C[NH2+]Cc2c(C)cc(OC)cc2[O-])cc1 ZINC001308755495 1111470809 /nfs/dbraw/zinc/47/08/09/1111470809.db2.gz HBFVXDHIXPUKIA-IBGZPJMESA-N 0 3 315.413 3.095 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@H](C(C)C)N2CCCC2)c1[O-] ZINC000236939842 202081945 /nfs/dbraw/zinc/08/19/45/202081945.db2.gz JWMQMXWIKOUTPA-MRXNPFEDSA-N 0 3 306.450 3.001 20 10 DGCDHN CCOc1cccc(CN2CCC[C@H]2c2cccn2C)c1O ZINC000179706517 432068516 /nfs/dbraw/zinc/06/85/16/432068516.db2.gz KWRMSWPGBRDXOE-INIZCTEOSA-N 0 3 300.402 3.467 20 10 DGCDHN CCO[C@@H]1C[C@H](NCc2c(C)c3ccccc3n2C)[C@H]1SC ZINC000459506325 243395508 /nfs/dbraw/zinc/39/55/08/243395508.db2.gz PQSHFBGKJMHIOC-BMGDILEWSA-N 0 3 318.486 3.485 20 10 DGCDHN CCOc1cccc(C[NH2+]CCc2ccc(F)c(F)c2)c1[O-] ZINC000190294653 432139978 /nfs/dbraw/zinc/13/99/78/432139978.db2.gz YUGZIIFIIJJMTC-UHFFFAOYSA-N 0 3 307.340 3.401 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)c1 ZINC000272378537 130024031 /nfs/dbraw/zinc/02/40/31/130024031.db2.gz DGEGLXYOKCUWKB-SGTLLEGYSA-N 0 3 319.376 3.406 20 10 DGCDHN COc1cccc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1[O-] ZINC000272470013 130033351 /nfs/dbraw/zinc/03/33/51/130033351.db2.gz ABJYJJVDYUGOQL-HNNXBMFYSA-N 0 3 313.397 3.302 20 10 DGCDHN COc1cccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1[O-] ZINC000272470013 130033354 /nfs/dbraw/zinc/03/33/54/130033354.db2.gz ABJYJJVDYUGOQL-HNNXBMFYSA-N 0 3 313.397 3.302 20 10 DGCDHN CCN1CCC([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000273387056 130116001 /nfs/dbraw/zinc/11/60/01/130116001.db2.gz JTQCQEQAWYXPEX-CQSZACIVSA-N 0 3 302.462 3.406 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000273386983 130116123 /nfs/dbraw/zinc/11/61/23/130116123.db2.gz JSVCRSXJYIQCBU-GDBMZVCRSA-N 0 3 317.404 3.342 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c([O-])c1C ZINC000273500969 130129733 /nfs/dbraw/zinc/12/97/33/130129733.db2.gz QCQKYKUTXZVOLN-CQSZACIVSA-N 0 3 312.413 3.001 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000273513186 130130530 /nfs/dbraw/zinc/13/05/30/130130530.db2.gz SEFOJZSQEYRDAD-XJKSGUPXSA-N 0 3 303.377 3.094 20 10 DGCDHN COc1cccc(CNCc2cc(Cl)cc3c2OCC3)c1O ZINC000273526110 130132301 /nfs/dbraw/zinc/13/23/01/130132301.db2.gz UIURLKZWIRVCKF-UHFFFAOYSA-N 0 3 319.788 3.279 20 10 DGCDHN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000273560499 130137656 /nfs/dbraw/zinc/13/76/56/130137656.db2.gz IARBIMPISYMTLC-MNOVXSKESA-N 0 3 315.255 3.146 20 10 DGCDHN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273617225 130145660 /nfs/dbraw/zinc/14/56/60/130145660.db2.gz XRINLYZMHAMTPS-KSSFIOAISA-N 0 3 315.413 3.402 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c([O-])c1C ZINC000273619880 130145907 /nfs/dbraw/zinc/14/59/07/130145907.db2.gz YRGWXBIBOZQDDT-MRXNPFEDSA-N 0 3 318.461 3.452 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000273703673 130156760 /nfs/dbraw/zinc/15/67/60/130156760.db2.gz DYSQKDMQERFQCJ-HOTGVXAUSA-N 0 3 311.809 3.101 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccccc2)c1[O-] ZINC000273798944 130169473 /nfs/dbraw/zinc/16/94/73/130169473.db2.gz WSXPYVIQOFUXKB-OAHLLOKOSA-N 0 3 321.804 3.268 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])[C@@]12CCCO2 ZINC000274120558 130208888 /nfs/dbraw/zinc/20/88/88/130208888.db2.gz AJZJCTXAVKGPIK-XZKMEQPCSA-N 0 3 319.445 3.386 20 10 DGCDHN Cc1cncc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000274613819 130249417 /nfs/dbraw/zinc/24/94/17/130249417.db2.gz OACGMNMDQFIQMD-INIZCTEOSA-N 0 3 311.429 3.077 20 10 DGCDHN C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275300889 130302806 /nfs/dbraw/zinc/30/28/06/130302806.db2.gz QLWUCNARZNWHGD-RCDICMHDSA-N 0 3 317.454 3.258 20 10 DGCDHN C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275300889 130302809 /nfs/dbraw/zinc/30/28/09/130302809.db2.gz QLWUCNARZNWHGD-RCDICMHDSA-N 0 3 317.454 3.258 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c([O-])c1 ZINC000284972328 131127177 /nfs/dbraw/zinc/12/71/77/131127177.db2.gz FVHYROQYVRECDL-CVEARBPZSA-N 0 3 311.429 3.334 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000284975049 131127305 /nfs/dbraw/zinc/12/73/05/131127305.db2.gz FWEVTFBMXSXRGN-WMLDXEAASA-N 0 3 317.404 3.402 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1-n1ccnn1 ZINC000285597879 131185535 /nfs/dbraw/zinc/18/55/35/131185535.db2.gz JPVRZECBQBTAKU-HNNXBMFYSA-N 0 3 321.428 3.184 20 10 DGCDHN C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000287136570 131266406 /nfs/dbraw/zinc/26/64/06/131266406.db2.gz RYJCBBNPAVCNFL-DYVFJYSZSA-N 0 3 302.393 3.485 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000289243207 131368493 /nfs/dbraw/zinc/36/84/93/131368493.db2.gz DTZSPRUOOBQYOT-QRVBRYPASA-N 0 3 309.409 3.397 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000289243207 131368495 /nfs/dbraw/zinc/36/84/95/131368495.db2.gz DTZSPRUOOBQYOT-QRVBRYPASA-N 0 3 309.409 3.397 20 10 DGCDHN Cc1cc(O)c(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1C ZINC000298310812 132055873 /nfs/dbraw/zinc/05/58/73/132055873.db2.gz JSGFPZOWGRRATI-UHFFFAOYSA-N 0 3 324.424 3.273 20 10 DGCDHN Cc1cc([O-])c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1C ZINC000298310812 132055874 /nfs/dbraw/zinc/05/58/74/132055874.db2.gz JSGFPZOWGRRATI-UHFFFAOYSA-N 0 3 324.424 3.273 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1C ZINC000298310812 132055876 /nfs/dbraw/zinc/05/58/76/132055876.db2.gz JSGFPZOWGRRATI-UHFFFAOYSA-N 0 3 324.424 3.273 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000298575533 132068409 /nfs/dbraw/zinc/06/84/09/132068409.db2.gz RVNMDLOTNURJKD-CQSZACIVSA-N 0 3 323.440 3.488 20 10 DGCDHN CN(Cc1ccccc1O)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000089912292 401243210 /nfs/dbraw/zinc/24/32/10/401243210.db2.gz QZQTYCXXOIAZPS-SFHVURJKSA-N 0 3 324.424 3.015 20 10 DGCDHN C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273486764 298466570 /nfs/dbraw/zinc/46/65/70/298466570.db2.gz NHVYBQDZANUGEQ-ZNLKAECVSA-N 0 3 309.475 3.079 20 10 DGCDHN C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000127186135 227002211 /nfs/dbraw/zinc/00/22/11/227002211.db2.gz PRAIZRIPFIHWNC-AWEZNQCLSA-N 0 3 308.385 3.166 20 10 DGCDHN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000127186135 227002216 /nfs/dbraw/zinc/00/22/16/227002216.db2.gz PRAIZRIPFIHWNC-AWEZNQCLSA-N 0 3 308.385 3.166 20 10 DGCDHN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cn1 ZINC000183433368 228373577 /nfs/dbraw/zinc/37/35/77/228373577.db2.gz AMLSAXMKJYXMCG-CYBMUJFWSA-N 0 3 308.385 3.132 20 10 DGCDHN COc1cccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1[O-] ZINC000271044381 274145528 /nfs/dbraw/zinc/14/55/28/274145528.db2.gz PDTIPXISIQKKLT-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN COc1cccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000186442239 274146003 /nfs/dbraw/zinc/14/60/03/274146003.db2.gz XFAGKODFHNOKOV-LJQANCHMSA-N 0 3 311.381 3.032 20 10 DGCDHN COc1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000186442239 274146004 /nfs/dbraw/zinc/14/60/04/274146004.db2.gz XFAGKODFHNOKOV-LJQANCHMSA-N 0 3 311.381 3.032 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2COC3(CCCCC3)O2)c1 ZINC000186230552 277918044 /nfs/dbraw/zinc/91/80/44/277918044.db2.gz XEXBUMUVUQKTHV-HIFRSBDPSA-N 0 3 321.417 3.127 20 10 DGCDHN Cc1noc(C2CC[NH+](Cc3cc(C)c(C)cc3[O-])CC2)n1 ZINC000068966720 431153829 /nfs/dbraw/zinc/15/38/29/431153829.db2.gz VPTONVJGMPVZOR-UHFFFAOYSA-N 0 3 301.390 3.080 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000112536849 431282086 /nfs/dbraw/zinc/28/20/86/431282086.db2.gz XCHZQODFEIIBPO-JKSUJKDBSA-N 0 3 311.429 3.330 20 10 DGCDHN CCOc1cccc(C[NH2+]CCc2ccc(OC)cc2)c1[O-] ZINC000074314524 431413710 /nfs/dbraw/zinc/41/37/10/431413710.db2.gz UOYQCCNFMFBWNU-UHFFFAOYSA-N 0 3 301.386 3.132 20 10 DGCDHN CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000183316720 432282540 /nfs/dbraw/zinc/28/25/40/432282540.db2.gz NZTQYPITDRMZCS-RHSMWYFYSA-N 0 3 312.413 3.138 20 10 DGCDHN CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])CC(C)C ZINC000183401314 432289773 /nfs/dbraw/zinc/28/97/73/432289773.db2.gz FXDTXTDKCHUVSC-KBPBESRZSA-N 0 3 308.422 3.204 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(C2OCCO2)CC1 ZINC000152280940 432321053 /nfs/dbraw/zinc/32/10/53/432321053.db2.gz NSZTVZWNKXHCED-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN Cc1cc(Br)cc(CN(C)Cc2ccncc2)c1O ZINC000183737234 432321262 /nfs/dbraw/zinc/32/12/62/432321262.db2.gz HYYINOWWDFDQEM-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN CCC[N@H+](Cc1cccc(OC)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271214396 432355063 /nfs/dbraw/zinc/35/50/63/432355063.db2.gz WGKBRNBHSLDTCJ-OLMNPRSZSA-N 0 3 319.445 3.426 20 10 DGCDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271214396 432355067 /nfs/dbraw/zinc/35/50/67/432355067.db2.gz WGKBRNBHSLDTCJ-OLMNPRSZSA-N 0 3 319.445 3.426 20 10 DGCDHN COc1cccc(CN(C)Cc2cc(OC)c(OC)cc2O)c1 ZINC000271058918 432324715 /nfs/dbraw/zinc/32/47/15/432324715.db2.gz BPJVFPSJFTZCNP-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271411566 432391650 /nfs/dbraw/zinc/39/16/50/432391650.db2.gz AFWCSECCLURPDX-FZKQIMNGSA-N 0 3 302.393 3.276 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@H](C)CCc2ccco2)cc1OC ZINC000271912496 432428708 /nfs/dbraw/zinc/42/87/08/432428708.db2.gz MPHMOJCFAMCGDS-GFCCVEGCSA-N 0 3 305.374 3.113 20 10 DGCDHN CCOCc1cc(CNCC2([C@H](O)C(C)C)CC2)ccc1OC ZINC000272107437 432446903 /nfs/dbraw/zinc/44/69/03/432446903.db2.gz WYZDLMKFEALJTH-GOSISDBHSA-N 0 3 321.461 3.118 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000184953870 432448919 /nfs/dbraw/zinc/44/89/19/432448919.db2.gz WBXWTICQGXFWJV-OAHLLOKOSA-N 0 3 322.412 3.191 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccccc1[O-] ZINC000271689733 432422998 /nfs/dbraw/zinc/42/29/98/432422998.db2.gz KAPLHWMKPCLYFM-AEFFLSMTSA-N 0 3 301.386 3.175 20 10 DGCDHN COc1ccc(O)c(CN(C)C[C@@H]2OCCc3ccccc32)c1 ZINC000271734299 432423128 /nfs/dbraw/zinc/42/31/28/432423128.db2.gz OCQINZMNEGMYJD-IBGZPJMESA-N 0 3 313.397 3.147 20 10 DGCDHN Cc1cccc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1[O-] ZINC000271826991 432426605 /nfs/dbraw/zinc/42/66/05/432426605.db2.gz OBCFBGVAXAQNGA-HNNXBMFYSA-N 0 3 313.401 3.341 20 10 DGCDHN Cc1cccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1[O-] ZINC000271826991 432426610 /nfs/dbraw/zinc/42/66/10/432426610.db2.gz OBCFBGVAXAQNGA-HNNXBMFYSA-N 0 3 313.401 3.341 20 10 DGCDHN CC(=O)N1CCN(Cc2cccc(C)c2O)CC12CCCCC2 ZINC000271869879 432427176 /nfs/dbraw/zinc/42/71/76/432427176.db2.gz RWCVWWXKVLNUGT-UHFFFAOYSA-N 0 3 316.445 3.068 20 10 DGCDHN C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000185291694 432487062 /nfs/dbraw/zinc/48/70/62/432487062.db2.gz GZCLXPIGDLUXTR-JTQLQIEISA-N 0 3 320.330 3.209 20 10 DGCDHN Cc1cc(O)c(CN(C)Cc2ccc([S@](C)=O)cc2)cc1C ZINC000176124281 432494456 /nfs/dbraw/zinc/49/44/56/432494456.db2.gz SNGHTBOUUAZGOO-QFIPXVFZSA-N 0 3 317.454 3.378 20 10 DGCDHN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185419574 432499227 /nfs/dbraw/zinc/49/92/27/432499227.db2.gz PIFMQCNOBZFKFB-UGSOOPFHSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OC(C)C)nc2)c1 ZINC000185046132 432460267 /nfs/dbraw/zinc/46/02/67/432460267.db2.gz SVABRTOOKGPXJV-CYBMUJFWSA-N 0 3 316.401 3.434 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c([O-])c1 ZINC000185091186 432464980 /nfs/dbraw/zinc/46/49/80/432464980.db2.gz UMPGZTZEARVSIM-AWEZNQCLSA-N 0 3 304.434 3.190 20 10 DGCDHN C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cc(F)ccc1[O-] ZINC000185105686 432466837 /nfs/dbraw/zinc/46/68/37/432466837.db2.gz PRHOVNCVRMMISX-GFCCVEGCSA-N 0 3 320.433 3.302 20 10 DGCDHN COC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000186034596 432554656 /nfs/dbraw/zinc/55/46/56/432554656.db2.gz OKPUNASCMZQKHG-DYVFJYSZSA-N 0 3 301.386 3.439 20 10 DGCDHN COC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000186034616 432554799 /nfs/dbraw/zinc/55/47/99/432554799.db2.gz OKPUNASCMZQKHG-SUMWQHHRSA-N 0 3 301.386 3.439 20 10 DGCDHN COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185827282 432536451 /nfs/dbraw/zinc/53/64/51/432536451.db2.gz OAIAEYVYEDYWBO-SJKOYZFVSA-N 0 3 319.376 3.314 20 10 DGCDHN CCC[N@H+](Cc1ccc(-n2ccnc2)nc1)Cc1ccccc1[O-] ZINC000177097062 432584624 /nfs/dbraw/zinc/58/46/24/432584624.db2.gz DZLSXRWUXWWTFE-UHFFFAOYSA-N 0 3 322.412 3.385 20 10 DGCDHN CCC[N@@H+](Cc1ccc(-n2ccnc2)nc1)Cc1ccccc1[O-] ZINC000177097062 432584628 /nfs/dbraw/zinc/58/46/28/432584628.db2.gz DZLSXRWUXWWTFE-UHFFFAOYSA-N 0 3 322.412 3.385 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186439037 432596135 /nfs/dbraw/zinc/59/61/35/432596135.db2.gz SXEIFDIATZDVOM-IBGZPJMESA-N 0 3 311.381 3.032 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186439037 432596137 /nfs/dbraw/zinc/59/61/37/432596137.db2.gz SXEIFDIATZDVOM-IBGZPJMESA-N 0 3 311.381 3.032 20 10 DGCDHN CC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187308707 432658135 /nfs/dbraw/zinc/65/81/35/432658135.db2.gz PKLIZWJANLRICO-JQWIXIFHSA-N 0 3 316.239 3.275 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC000276931297 432827745 /nfs/dbraw/zinc/82/77/45/432827745.db2.gz MLDAXXZNUNCJMB-ZDUSSCGKSA-N 0 3 308.422 3.012 20 10 DGCDHN C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000268408187 432869787 /nfs/dbraw/zinc/86/97/87/432869787.db2.gz GMIGBLMRJGAGBC-PEBXRYMYSA-N 0 3 317.454 3.306 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)CC2 ZINC000296883264 432934202 /nfs/dbraw/zinc/93/42/02/432934202.db2.gz OFXLXUWDLKAWPN-GOEBONIOSA-N 0 3 321.779 3.495 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c([O-])c1C ZINC000278778206 432900654 /nfs/dbraw/zinc/90/06/54/432900654.db2.gz YECNSVDHBIZTHE-WBVHZDCISA-N 0 3 320.477 3.161 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN(c3nccs3)CC1)CC2 ZINC000296372253 432901275 /nfs/dbraw/zinc/90/12/75/432901275.db2.gz IUGLDVXTDMDXDP-CQSZACIVSA-N 0 3 315.442 3.095 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c([O-])c1 ZINC000297250531 432980638 /nfs/dbraw/zinc/98/06/38/432980638.db2.gz JFUXZUCXEZRODB-BBRMVZONSA-N 0 3 303.377 3.094 20 10 DGCDHN CCC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@H](O)c1ccccc1 ZINC000279635318 432989908 /nfs/dbraw/zinc/98/99/08/432989908.db2.gz IPONGNXJFLOLFD-PKOBYXMFSA-N 0 3 315.413 3.393 20 10 DGCDHN CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297646292 433001607 /nfs/dbraw/zinc/00/16/07/433001607.db2.gz JZPMKBVTPDJZMT-ZDUSSCGKSA-N 0 3 320.433 3.272 20 10 DGCDHN COc1cc(O)c(CN[C@@H]2c3ccccc3O[C@H]2C)cc1OC ZINC000290185642 433008747 /nfs/dbraw/zinc/00/87/47/433008747.db2.gz ODYIWZRXDVANIR-VOJFVSQTSA-N 0 3 315.369 3.021 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2[O-])[C@]12CCCO2 ZINC000280218769 433016794 /nfs/dbraw/zinc/01/67/94/433016794.db2.gz UNXYJVGNBBHVAU-GDAAHCPNSA-N 0 3 319.445 3.468 20 10 DGCDHN CC[C@H]([NH2+]C1CCC(C(=O)NC)CC1)c1ccc(C)cc1[O-] ZINC000280258233 433024252 /nfs/dbraw/zinc/02/42/52/433024252.db2.gz XBZUWEGJJWXICM-XUJLQICISA-N 0 3 304.434 3.046 20 10 DGCDHN CN(C)C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000290466236 433059683 /nfs/dbraw/zinc/05/96/83/433059683.db2.gz NFVVICNCAQOMIF-MRXNPFEDSA-N 0 3 306.356 3.063 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)CCCn2ccnc2C)c([O-])c1 ZINC000290507764 433069613 /nfs/dbraw/zinc/06/96/13/433069613.db2.gz PKFNRPHMQNAFMQ-UHFFFAOYSA-N 0 3 317.433 3.208 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)CCCn2ccnc2C)c([O-])c1 ZINC000290507764 433069622 /nfs/dbraw/zinc/06/96/22/433069622.db2.gz PKFNRPHMQNAFMQ-UHFFFAOYSA-N 0 3 317.433 3.208 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000290913340 433205367 /nfs/dbraw/zinc/20/53/67/433205367.db2.gz NEMFXVNZGKKPKX-CQSZACIVSA-N 0 3 321.808 3.006 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000291016599 433215585 /nfs/dbraw/zinc/21/55/85/433215585.db2.gz FZBVEFIDNBPNFC-CQSZACIVSA-N 0 3 300.377 3.147 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1[O-] ZINC000375647662 433518124 /nfs/dbraw/zinc/51/81/24/433518124.db2.gz FKQXDQAUKITCCJ-DOTOQJQBSA-N 0 3 311.429 3.397 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282954485 433642281 /nfs/dbraw/zinc/64/22/81/433642281.db2.gz ZITNCIJWLRFBKS-SUMWQHHRSA-N 0 3 305.418 3.401 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282954483 433644163 /nfs/dbraw/zinc/64/41/63/433644163.db2.gz ZITNCIJWLRFBKS-GUYCJALGSA-N 0 3 305.418 3.401 20 10 DGCDHN CCCC[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccccc1[O-] ZINC000282412906 433598239 /nfs/dbraw/zinc/59/82/39/433598239.db2.gz ITIIQXQNPNGEBO-UHFFFAOYSA-N 0 3 312.413 3.293 20 10 DGCDHN CCCC[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccccc1[O-] ZINC000282412906 433598247 /nfs/dbraw/zinc/59/82/47/433598247.db2.gz ITIIQXQNPNGEBO-UHFFFAOYSA-N 0 3 312.413 3.293 20 10 DGCDHN CCCC[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1[O-] ZINC000282435160 433605754 /nfs/dbraw/zinc/60/57/54/433605754.db2.gz KLJWFHIHYCUQKD-UHFFFAOYSA-N 0 3 312.413 3.293 20 10 DGCDHN CCCC[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1[O-] ZINC000282435160 433605760 /nfs/dbraw/zinc/60/57/60/433605760.db2.gz KLJWFHIHYCUQKD-UHFFFAOYSA-N 0 3 312.413 3.293 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)c([O-])c1 ZINC000293661037 433821770 /nfs/dbraw/zinc/82/17/70/433821770.db2.gz NXPACNWRBZZWOI-LJQANCHMSA-N 0 3 318.461 3.099 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)c([O-])c1 ZINC000293661037 433821773 /nfs/dbraw/zinc/82/17/73/433821773.db2.gz NXPACNWRBZZWOI-LJQANCHMSA-N 0 3 318.461 3.099 20 10 DGCDHN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000293700198 433834674 /nfs/dbraw/zinc/83/46/74/433834674.db2.gz LZBRVRQGFTYYSA-ZBFHGGJFSA-N 0 3 306.450 3.294 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c([O-])c1 ZINC000293812322 433878999 /nfs/dbraw/zinc/87/89/99/433878999.db2.gz RRFWDDVMPPKTDA-HNNXBMFYSA-N 0 3 318.461 3.308 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)OC)c1 ZINC000294715937 434130140 /nfs/dbraw/zinc/13/01/40/434130140.db2.gz FAXYHOVQYQINGA-WMLDXEAASA-N 0 3 315.413 3.309 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CC1CC(F)(F)C1)C[C@@H]1CCCO1 ZINC000294877858 434148657 /nfs/dbraw/zinc/14/86/57/434148657.db2.gz FRJVIPPAVDFANL-HNNXBMFYSA-N 0 3 311.372 3.419 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CC1CC(F)(F)C1)C[C@@H]1CCCO1 ZINC000294877858 434148664 /nfs/dbraw/zinc/14/86/64/434148664.db2.gz FRJVIPPAVDFANL-HNNXBMFYSA-N 0 3 311.372 3.419 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1 ZINC000363853942 434170579 /nfs/dbraw/zinc/17/05/79/434170579.db2.gz LFFDFASGSTXYKI-AWEZNQCLSA-N 0 3 308.385 3.132 20 10 DGCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(-n3ccnc3)nc2)c1 ZINC000363853942 434170586 /nfs/dbraw/zinc/17/05/86/434170586.db2.gz LFFDFASGSTXYKI-AWEZNQCLSA-N 0 3 308.385 3.132 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000295115640 434209694 /nfs/dbraw/zinc/20/96/94/434209694.db2.gz MJVWNZPZUCIHOM-CQSZACIVSA-N 0 3 322.449 3.484 20 10 DGCDHN Cc1cccc(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000295123952 434213107 /nfs/dbraw/zinc/21/31/07/434213107.db2.gz NRAYTYKDHIZYJH-CQSZACIVSA-N 0 3 322.449 3.484 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CCCCO)c1[O-] ZINC000295121311 434214902 /nfs/dbraw/zinc/21/49/02/434214902.db2.gz WOTTXBRPWCUIHG-NSHDSACASA-N 0 3 316.239 3.104 20 10 DGCDHN C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1[O-] ZINC000287275627 434320342 /nfs/dbraw/zinc/32/03/42/434320342.db2.gz JGKXIEPPDUHYJE-LLVKDONJSA-N 0 3 324.222 3.092 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN(Cc3ccccn3)CC1)CC2 ZINC000295925918 434444303 /nfs/dbraw/zinc/44/43/03/434444303.db2.gz JXXPINPJXLTBRL-GOSISDBHSA-N 0 3 323.440 3.029 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCN(c3ccccc3)C1)CC2 ZINC000295989336 434466159 /nfs/dbraw/zinc/46/61/59/434466159.db2.gz NPYWSVLNKVUKAC-MAUKXSAKSA-N 0 3 308.425 3.496 20 10 DGCDHN Cc1nc2ccccc2n1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296126438 434515822 /nfs/dbraw/zinc/51/58/22/434515822.db2.gz VOXURFMGPSPXPE-INIZCTEOSA-N 0 3 307.397 3.327 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)c([O-])c1 ZINC000295143469 335132799 /nfs/dbraw/zinc/13/27/99/335132799.db2.gz ZYTNZSUXQPTFMC-GOSISDBHSA-N 0 3 315.413 3.346 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)[C@H](CO)c2ccccc2)c([O-])c1 ZINC000295143469 335132800 /nfs/dbraw/zinc/13/28/00/335132800.db2.gz ZYTNZSUXQPTFMC-GOSISDBHSA-N 0 3 315.413 3.346 20 10 DGCDHN COc1ccc([C@@H](NCc2ccc3c(c2)CCO3)C2CC2)cn1 ZINC000527840529 337767949 /nfs/dbraw/zinc/76/79/49/337767949.db2.gz GYKSAJIYYWVEJJ-IBGZPJMESA-N 0 3 310.397 3.266 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000179502189 534194304 /nfs/dbraw/zinc/19/43/04/534194304.db2.gz SFVJSNAPRCUHBV-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000129711943 534204474 /nfs/dbraw/zinc/20/44/74/534204474.db2.gz IBTPUWLGTKQFLB-LBPRGKRZSA-N 0 3 316.357 3.202 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000368653159 534204784 /nfs/dbraw/zinc/20/47/84/534204784.db2.gz QCJRPDPVRNILDF-RZAIGCCYSA-N 0 3 305.418 3.257 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000163469901 518840641 /nfs/dbraw/zinc/84/06/41/518840641.db2.gz BDHGJMAOXXKTBW-GJZGRUSLSA-N 0 3 320.433 3.318 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000236817830 520367051 /nfs/dbraw/zinc/36/70/51/520367051.db2.gz JBESSKCRVFSINS-LJQANCHMSA-N 0 3 315.413 3.313 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000237048498 521150330 /nfs/dbraw/zinc/15/03/30/521150330.db2.gz SQYNXTXRLXNDGJ-KRWDZBQOSA-N 0 3 321.804 3.268 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000367597410 521150986 /nfs/dbraw/zinc/15/09/86/521150986.db2.gz NDMDEHSDTPOUCB-UHFFFAOYSA-N 0 3 312.413 3.397 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)C[C@H](N)c1ccccc1 ZINC000236732448 521687921 /nfs/dbraw/zinc/68/79/21/521687921.db2.gz HXDBBHKQTRNJGP-KRWDZBQOSA-N 0 3 312.413 3.221 20 10 DGCDHN Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000182124077 524431048 /nfs/dbraw/zinc/43/10/48/524431048.db2.gz XYKOKENHAXPKCS-UHFFFAOYSA-N 0 3 324.424 3.095 20 10 DGCDHN Cc1cccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1[O-] ZINC000182254673 524433914 /nfs/dbraw/zinc/43/39/14/524433914.db2.gz QPBDCXLQZVLIHZ-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN COc1ccc(O)c(CN2CCCC[C@@H]2c2cccn2C)c1 ZINC000180638367 524737600 /nfs/dbraw/zinc/73/76/00/524737600.db2.gz KURJHDXNHVEZOG-QGZVFWFLSA-N 0 3 300.402 3.467 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000182324598 524771073 /nfs/dbraw/zinc/77/10/73/524771073.db2.gz VUIBCCZHEGMWLE-SCLBCKFNSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1cccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c1[O-] ZINC000130774800 525937827 /nfs/dbraw/zinc/93/78/27/525937827.db2.gz AHNUECGEUURGNB-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN COc1cccc(C[N@H+]2CCCN(c3ccccc3)CC2)c1[O-] ZINC000130774800 525937832 /nfs/dbraw/zinc/93/78/32/525937832.db2.gz AHNUECGEUURGNB-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273431067 535420170 /nfs/dbraw/zinc/42/01/70/535420170.db2.gz VQRJNMMBPGWVIE-OAHLLOKOSA-N 0 3 306.450 3.308 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]CC[C@@H](O)c2ccccc2)c1 ZINC000289176337 535752419 /nfs/dbraw/zinc/75/24/19/535752419.db2.gz AAKHEHAIBZSIAO-GOSISDBHSA-N 0 3 301.386 3.004 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc2c(cc1[O-])CCCC2 ZINC000186115415 546193021 /nfs/dbraw/zinc/19/30/21/546193021.db2.gz XLIHAZALWYOMBT-LRDDRELGSA-N 0 3 311.429 3.202 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc2c(cc1[O-])CCCC2 ZINC000186115381 546193393 /nfs/dbraw/zinc/19/33/93/546193393.db2.gz XLIHAZALWYOMBT-BLLLJJGKSA-N 0 3 311.429 3.202 20 10 DGCDHN C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732285832 574570930 /nfs/dbraw/zinc/57/09/30/574570930.db2.gz JBSLWLZXWVSDTH-GFCCVEGCSA-N 0 3 318.442 3.313 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000733322680 574615443 /nfs/dbraw/zinc/61/54/43/574615443.db2.gz RPWRKJXXCMGLBC-UHFFFAOYSA-N 0 3 324.424 3.226 20 10 DGCDHN Cc1ccc(O)c(CNCc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000733322680 574615445 /nfs/dbraw/zinc/61/54/45/574615445.db2.gz RPWRKJXXCMGLBC-UHFFFAOYSA-N 0 3 324.424 3.226 20 10 DGCDHN CO[C@@H](CNCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000733329358 574616225 /nfs/dbraw/zinc/61/62/25/574616225.db2.gz RGNWIYKHBKCEKH-HNNXBMFYSA-N 0 3 316.367 3.344 20 10 DGCDHN COc1cccc(CNCc2c[nH]nc2-c2cccc(C)c2)c1O ZINC000733900870 574641922 /nfs/dbraw/zinc/64/19/22/574641922.db2.gz NTKRFINYYKTXTM-UHFFFAOYSA-N 0 3 323.396 3.389 20 10 DGCDHN COc1ccc(CNC[C@@](C)(O)c2ccc(F)cc2F)cc1C ZINC000734004199 574646299 /nfs/dbraw/zinc/64/62/99/574646299.db2.gz UTXYHXKCEONWCD-GOSISDBHSA-N 0 3 321.367 3.279 20 10 DGCDHN COc1cccc(C[NH2+]CC(C)(C)Oc2ccccc2)c1[O-] ZINC000734160988 574653384 /nfs/dbraw/zinc/65/33/84/574653384.db2.gz JJOBCLCDKISLFK-UHFFFAOYSA-N 0 3 301.386 3.348 20 10 DGCDHN CCC1(O)CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000742170830 574983794 /nfs/dbraw/zinc/98/37/94/574983794.db2.gz CXRBIMPFWKDGJR-UHFFFAOYSA-N 0 3 307.434 3.132 20 10 DGCDHN CCN(CC)c1ccc(CNC(C)(C)c2cnn(C)c2)cc1 ZINC000742374007 574993601 /nfs/dbraw/zinc/99/36/01/574993601.db2.gz OFSRMHVZFFNCOW-UHFFFAOYSA-N 0 3 300.450 3.291 20 10 DGCDHN C[C@@H](CCNC(=O)c1cc([O-])cs1)[N@H+](C)Cc1ccccc1 ZINC000746693130 575470457 /nfs/dbraw/zinc/47/04/57/575470457.db2.gz BPJPYJWYFSFJIT-ZDUSSCGKSA-N 0 3 318.442 3.094 20 10 DGCDHN C[C@@H](CCNC(=O)c1cc([O-])cs1)[N@@H+](C)Cc1ccccc1 ZINC000746693130 575470459 /nfs/dbraw/zinc/47/04/59/575470459.db2.gz BPJPYJWYFSFJIT-ZDUSSCGKSA-N 0 3 318.442 3.094 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@H]2CCCN(C)C2=O)cc1 ZINC000748242482 575574720 /nfs/dbraw/zinc/57/47/20/575574720.db2.gz NIBWBANDWGWLSQ-SFHVURJKSA-N 0 3 317.477 3.023 20 10 DGCDHN CCCN(CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccccc1O ZINC000750875755 575757144 /nfs/dbraw/zinc/75/71/44/575757144.db2.gz WOVCVRKWHALITP-RDJZCZTQSA-N 0 3 318.461 3.299 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1CNC2 ZINC000852882634 620653887 /nfs/dbraw/zinc/65/38/87/620653887.db2.gz NJTDCOKMJFPURY-UHFFFAOYSA-N 0 3 323.440 3.018 20 10 DGCDHN CN1CCN(Cc2cc3c(cc2O)CCC3)[C@@H](c2ccccc2)C1 ZINC000917462509 620669598 /nfs/dbraw/zinc/66/95/98/620669598.db2.gz HNFINSLSCYDJNK-HXUWFJFHSA-N 0 3 322.452 3.370 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242055 620681580 /nfs/dbraw/zinc/68/15/80/620681580.db2.gz ZUPRWVGLYZETHW-JSGCOSHPSA-N 0 3 324.415 3.443 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241018 620681382 /nfs/dbraw/zinc/68/13/82/620681382.db2.gz RRVLWYWWCOLOOO-UKRRQHHQSA-N 0 3 306.425 3.304 20 10 DGCDHN COc1cc(C)cc(CN2CC3(CCCC3)OC[C@@H]2C)c1O ZINC000853577860 620711964 /nfs/dbraw/zinc/71/19/64/620711964.db2.gz LUKJDRJJEZHAQR-AWEZNQCLSA-N 0 3 305.418 3.243 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CC1CCC1)[C@H](O)CO2 ZINC000853607793 620715590 /nfs/dbraw/zinc/71/55/90/620715590.db2.gz VXOSWQMKGYYXAY-CRAIPNDOSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1CC1CCC1)[C@H](O)CO2 ZINC000853607793 620715593 /nfs/dbraw/zinc/71/55/93/620715593.db2.gz VXOSWQMKGYYXAY-CRAIPNDOSA-N 0 3 317.429 3.363 20 10 DGCDHN CC[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000154976219 620749358 /nfs/dbraw/zinc/74/93/58/620749358.db2.gz YKEAGHYJPYNDDQ-HLLBOEOZSA-N 0 3 320.477 3.321 20 10 DGCDHN COc1ccc(C[N@H+](C)CCCc2ccccc2)c([O-])c1OC ZINC000891622597 617855195 /nfs/dbraw/zinc/85/51/95/617855195.db2.gz HKUSYJCWNVOYEN-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COc1ccc(C[N@@H+](C)CCCc2ccccc2)c([O-])c1OC ZINC000891622597 617855198 /nfs/dbraw/zinc/85/51/98/617855198.db2.gz HKUSYJCWNVOYEN-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc(C)s2)c(O)c1OC ZINC000891922582 617926916 /nfs/dbraw/zinc/92/69/16/617926916.db2.gz GBMWGIKYWKNBDS-UHFFFAOYSA-N 0 3 307.415 3.411 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017201 620785539 /nfs/dbraw/zinc/78/55/39/620785539.db2.gz NYMJNZBFCOPNNC-QWHCGFSZSA-N 0 3 315.244 3.415 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017201 620785541 /nfs/dbraw/zinc/78/55/41/620785541.db2.gz NYMJNZBFCOPNNC-QWHCGFSZSA-N 0 3 315.244 3.415 20 10 DGCDHN COc1cc(C)cc(CNCc2ccc3c(n2)CCCC3)c1O ZINC000894572582 618390511 /nfs/dbraw/zinc/39/05/11/618390511.db2.gz JSDQGCALETWEED-UHFFFAOYSA-N 0 3 312.413 3.273 20 10 DGCDHN COc1ccc(C[N@H+](C)CCc2ccccc2C)c([O-])c1OC ZINC000894668786 618417607 /nfs/dbraw/zinc/41/76/07/618417607.db2.gz WSOUVULMTAIZKV-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1ccc(C[N@@H+](C)CCc2ccccc2C)c([O-])c1OC ZINC000894668786 618417611 /nfs/dbraw/zinc/41/76/11/618417611.db2.gz WSOUVULMTAIZKV-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1cccc(CNCc2ccccc2OCC(F)F)c1O ZINC000894766910 618452804 /nfs/dbraw/zinc/45/28/04/618452804.db2.gz WXBHHHDEPFURML-UHFFFAOYSA-N 0 3 323.339 3.335 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCc2nc(C)ncc21 ZINC000840934818 618609709 /nfs/dbraw/zinc/60/97/09/618609709.db2.gz XZVUTCHLDKNCKN-SFHVURJKSA-N 0 3 310.445 3.327 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)c([O-])c1 ZINC000894185236 618726039 /nfs/dbraw/zinc/72/60/39/618726039.db2.gz KKPMYPOEEJCEOH-WBVHZDCISA-N 0 3 319.445 3.476 20 10 DGCDHN CN(C)c1cc(F)c(CN2CC[C@H]([C@@H]3CCCO3)C2)cc1F ZINC000895846417 618841045 /nfs/dbraw/zinc/84/10/45/618841045.db2.gz UBKFKXDIUAGFLR-SJCJKPOMSA-N 0 3 310.388 3.032 20 10 DGCDHN COC1(OC)CC2(C[N@H+](Cc3cc(F)ccc3[O-])[C@@H]2C(C)C)C1 ZINC000895988487 618857994 /nfs/dbraw/zinc/85/79/94/618857994.db2.gz CJDZMVNKMDOFTL-MRXNPFEDSA-N 0 3 323.408 3.141 20 10 DGCDHN COC1(OC)CC2(C[N@@H+](Cc3cc(F)ccc3[O-])[C@@H]2C(C)C)C1 ZINC000895988487 618857996 /nfs/dbraw/zinc/85/79/96/618857996.db2.gz CJDZMVNKMDOFTL-MRXNPFEDSA-N 0 3 323.408 3.141 20 10 DGCDHN COC1(OC)CC2(C[N@H+](Cc3ccccc3[O-])[C@@H]2C(C)C)C1 ZINC000895994041 618859973 /nfs/dbraw/zinc/85/99/73/618859973.db2.gz BKMFQVQYUZSUGY-MRXNPFEDSA-N 0 3 305.418 3.002 20 10 DGCDHN COC1(OC)CC2(C[N@@H+](Cc3ccccc3[O-])[C@@H]2C(C)C)C1 ZINC000895994041 618859974 /nfs/dbraw/zinc/85/99/74/618859974.db2.gz BKMFQVQYUZSUGY-MRXNPFEDSA-N 0 3 305.418 3.002 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896227021 618888421 /nfs/dbraw/zinc/88/84/21/618888421.db2.gz JYOFNLYMNNIZNU-ZDUSSCGKSA-N 0 3 319.298 3.267 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896227021 618888422 /nfs/dbraw/zinc/88/84/22/618888422.db2.gz JYOFNLYMNNIZNU-ZDUSSCGKSA-N 0 3 319.298 3.267 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896531006 618923089 /nfs/dbraw/zinc/92/30/89/618923089.db2.gz IEZITQXSERCHAZ-CYBMUJFWSA-N 0 3 318.442 3.312 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896531006 618923090 /nfs/dbraw/zinc/92/30/90/618923090.db2.gz IEZITQXSERCHAZ-CYBMUJFWSA-N 0 3 318.442 3.312 20 10 DGCDHN COc1cc(O)c(CN[C@@H](c2ccccn2)C2CC2)cc1OC ZINC000896613444 618933942 /nfs/dbraw/zinc/93/39/42/618933942.db2.gz XAXFNWITCPNIDO-GOSISDBHSA-N 0 3 314.385 3.045 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000896811960 618963050 /nfs/dbraw/zinc/96/30/50/618963050.db2.gz QRKHRAJLMNJILW-DGCLKSJQSA-N 0 3 307.287 3.121 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000896821496 618965042 /nfs/dbraw/zinc/96/50/42/618965042.db2.gz FDQRTIYSHIKNDY-YPMHNXCESA-N 0 3 307.287 3.121 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000897236237 619034481 /nfs/dbraw/zinc/03/44/81/619034481.db2.gz DRVUEBQFEKJZFN-SFHVURJKSA-N 0 3 301.361 3.327 20 10 DGCDHN NC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CCCCC1 ZINC000841039211 619241213 /nfs/dbraw/zinc/24/12/13/619241213.db2.gz FPMANQYBOOZTMR-CYBMUJFWSA-N 0 3 300.805 3.182 20 10 DGCDHN [NH3+]C[C@@H](NCc1c([O-])ccc(Cl)c1F)C1CCCCC1 ZINC000841039211 619241214 /nfs/dbraw/zinc/24/12/14/619241214.db2.gz FPMANQYBOOZTMR-CYBMUJFWSA-N 0 3 300.805 3.182 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC000903174990 619730037 /nfs/dbraw/zinc/73/00/37/619730037.db2.gz BRECDKGGDNSCQR-LOWVWBTDSA-N 0 3 301.308 3.079 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC000903177890 619730505 /nfs/dbraw/zinc/73/05/05/619730505.db2.gz CBFZSBLVVRDHBP-WDMOLILDSA-N 0 3 303.324 3.461 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000903179555 619731060 /nfs/dbraw/zinc/73/10/60/619731060.db2.gz QHACUBDEGYBBHV-IYYTYJHQSA-N 0 3 307.287 3.292 20 10 DGCDHN CC[C@@H](NCc1cc(N(C)C)ccn1)c1ccc(N(C)C)cc1 ZINC000903202052 619735790 /nfs/dbraw/zinc/73/57/90/619735790.db2.gz VEADLYPKMCICQT-LJQANCHMSA-N 0 3 312.461 3.455 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1ccc(C)cc1[O-] ZINC000903269679 619749680 /nfs/dbraw/zinc/74/96/80/619749680.db2.gz AZEHAWCAFPAVOR-GVDBMIGSSA-N 0 3 320.502 3.321 20 10 DGCDHN C[C@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000903269049 619749686 /nfs/dbraw/zinc/74/96/86/619749686.db2.gz VVRDNOSSLIPZFG-AWEZNQCLSA-N 0 3 305.418 3.366 20 10 DGCDHN C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000903312277 619757925 /nfs/dbraw/zinc/75/79/25/619757925.db2.gz YKLMHLYYWIXEKK-DIFFPNOSSA-N 0 3 307.340 3.229 20 10 DGCDHN CC[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(C)cc1[O-] ZINC000903346908 619761275 /nfs/dbraw/zinc/76/12/75/619761275.db2.gz JMQDFICZIHNJQV-INIZCTEOSA-N 0 3 319.445 3.063 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(CCO)cc2)c2c1c(F)ccc2[O-] ZINC000903404252 619770933 /nfs/dbraw/zinc/77/09/33/619770933.db2.gz YZPGHRWSWOTEPB-BLLLJJGKSA-N 0 3 315.388 3.404 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)c2c1c(F)ccc2[O-] ZINC000903441152 619775940 /nfs/dbraw/zinc/77/59/40/619775940.db2.gz YGNKJFQXSIWOHS-FFONGLNXSA-N 0 3 313.372 3.328 20 10 DGCDHN C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1 ZINC000903447734 619778321 /nfs/dbraw/zinc/77/83/21/619778321.db2.gz BUDQXFCOXAWCEH-BBRMVZONSA-N 0 3 318.490 3.163 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CCCOc1cccc2cccnc21 ZINC000113343049 620904852 /nfs/dbraw/zinc/90/48/52/620904852.db2.gz GUJFDCLYPRBYPG-UHFFFAOYSA-N 0 3 308.381 3.499 20 10 DGCDHN c1cc(OCC2CC2)ncc1CNCc1ccc2c(c1)CCCO2 ZINC000921631781 620918731 /nfs/dbraw/zinc/91/87/31/620918731.db2.gz LIAXMFQOBWBIBQ-UHFFFAOYSA-N 0 3 324.424 3.485 20 10 DGCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000921738877 620942320 /nfs/dbraw/zinc/94/23/20/620942320.db2.gz VRSSOBRPNVVUGO-GFCCVEGCSA-N 0 3 323.396 3.444 20 10 DGCDHN c1cc(CNCc2ccc3c(c2)CCCO3)c2c(c1)COCC2 ZINC000922309606 621020845 /nfs/dbraw/zinc/02/08/45/621020845.db2.gz WVNHAGILRNZHLI-UHFFFAOYSA-N 0 3 309.409 3.374 20 10 DGCDHN CN1C[C@H](CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000922488865 621045390 /nfs/dbraw/zinc/04/53/90/621045390.db2.gz LTZPNOCTLUXXTQ-OAHLLOKOSA-N 0 3 324.424 3.017 20 10 DGCDHN Cc1noc(C)c1C[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000858140798 621157477 /nfs/dbraw/zinc/15/74/77/621157477.db2.gz GRPZOJCUQYFQMJ-SNVBAGLBSA-N 0 3 323.387 3.356 20 10 DGCDHN CCCC[C@](C)(CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858182391 621162038 /nfs/dbraw/zinc/16/20/38/621162038.db2.gz RESLUSMDQNNBRS-MRXNPFEDSA-N 0 3 300.393 3.062 20 10 DGCDHN Cc1cc(CNCc2cnc(C)n2C)c(C)n1-c1ccccc1 ZINC000858295051 621172942 /nfs/dbraw/zinc/17/29/42/621172942.db2.gz UAVHFRQAQKAUBV-UHFFFAOYSA-N 0 3 308.429 3.426 20 10 DGCDHN Cc1ccc([C@@H](C)NCc2c(C(F)(F)F)cnn2C)c(O)c1 ZINC000858453715 621192765 /nfs/dbraw/zinc/19/27/65/621192765.db2.gz YGZIRFXVZGJXEA-SNVBAGLBSA-N 0 3 313.323 3.304 20 10 DGCDHN C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(F)ccc1[O-] ZINC000858452550 621192929 /nfs/dbraw/zinc/19/29/29/621192929.db2.gz LPTDKJSYPCCLEZ-QMMMGPOBSA-N 0 3 317.286 3.134 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000858527488 621201754 /nfs/dbraw/zinc/20/17/54/621201754.db2.gz HRNYCEWFGBQXBK-KUHUBIRLSA-N 0 3 323.440 3.357 20 10 DGCDHN CC[N@H+](CCOC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753541156 621447486 /nfs/dbraw/zinc/44/74/86/621447486.db2.gz XWIGKPHXINEYEH-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN CC[N@@H+](CCOC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753541156 621447487 /nfs/dbraw/zinc/44/74/87/621447487.db2.gz XWIGKPHXINEYEH-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C2 ZINC000753576343 621450308 /nfs/dbraw/zinc/45/03/08/621450308.db2.gz RAMRIYBAGWHFOD-INIZCTEOSA-N 0 3 301.361 3.187 20 10 DGCDHN C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000754119900 621488872 /nfs/dbraw/zinc/48/88/72/621488872.db2.gz FAJUYNPOXRDSOP-WWGRRREGSA-N 0 3 308.853 3.256 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@@]2(C)CCCO)cc1F ZINC000862368181 621580141 /nfs/dbraw/zinc/58/01/41/621580141.db2.gz DOQFJKJZVUOIIE-KRWDZBQOSA-N 0 3 312.404 3.158 20 10 DGCDHN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000862464529 621592363 /nfs/dbraw/zinc/59/23/63/621592363.db2.gz ATOCPIUOYHIXJC-SFHVURJKSA-N 0 3 323.392 3.411 20 10 DGCDHN C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363666 621631515 /nfs/dbraw/zinc/63/15/15/621631515.db2.gz QCZQDTLRLTUVAM-UONOGXRCSA-N 0 3 321.421 3.216 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)nc2)c2c1c(F)ccc2[O-] ZINC000756401428 621635690 /nfs/dbraw/zinc/63/56/90/621635690.db2.gz PBVXXJQEBYWCRZ-FZMZJTMJSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCCc2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000756525451 621645050 /nfs/dbraw/zinc/64/50/50/621645050.db2.gz BTVFLBCGJDALPP-BXUZGUMPSA-N 0 3 303.381 3.036 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756547676 621647141 /nfs/dbraw/zinc/64/71/41/621647141.db2.gz GFLUYATTWWXVJS-INWMFGNUSA-N 0 3 315.388 3.273 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)c2c1c(F)ccc2[O-] ZINC000756553585 621647960 /nfs/dbraw/zinc/64/79/60/621647960.db2.gz GYFSNNDIUQZLOE-GXTWGEPZSA-N 0 3 320.408 3.072 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756586272 621651159 /nfs/dbraw/zinc/65/11/59/621651159.db2.gz QDPRQKHYKWTPDS-IVMMDQJWSA-N 0 3 315.388 3.273 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCNc2ccccn2)c2c1c(F)ccc2[O-] ZINC000756604880 621652061 /nfs/dbraw/zinc/65/20/61/621652061.db2.gz GVBUVLHJDWCEQP-WCQYABFASA-N 0 3 301.365 3.176 20 10 DGCDHN Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)o1 ZINC000756603432 621652128 /nfs/dbraw/zinc/65/21/28/621652128.db2.gz BPDNXAOWSRYLME-MRCXROJRSA-N 0 3 305.349 3.304 20 10 DGCDHN C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756712043 621659757 /nfs/dbraw/zinc/65/97/57/621659757.db2.gz PDXRXTFFAZHRRL-IIYDPXPESA-N 0 3 303.377 3.347 20 10 DGCDHN COc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(C)cc1O ZINC000756711042 621659925 /nfs/dbraw/zinc/65/99/25/621659925.db2.gz HRDVXVAEHVTGLC-BBRMVZONSA-N 0 3 301.386 3.093 20 10 DGCDHN CC(=O)N1CC[C@H](NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000756996054 621677752 /nfs/dbraw/zinc/67/77/52/621677752.db2.gz DIZZLPCNODDKBL-SFHVURJKSA-N 0 3 322.408 3.209 20 10 DGCDHN CC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000756996053 621677785 /nfs/dbraw/zinc/67/77/85/621677785.db2.gz DIZZLPCNODDKBL-GOSISDBHSA-N 0 3 322.408 3.209 20 10 DGCDHN C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cccc(C(F)(F)F)c1[O-] ZINC000863544766 621682589 /nfs/dbraw/zinc/68/25/89/621682589.db2.gz ANFSPTLHSJOGBE-VWYCJHECSA-N 0 3 302.340 3.202 20 10 DGCDHN C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000863544766 621682591 /nfs/dbraw/zinc/68/25/91/621682591.db2.gz ANFSPTLHSJOGBE-VWYCJHECSA-N 0 3 302.340 3.202 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccccc1[O-] ZINC000839540996 621693034 /nfs/dbraw/zinc/69/30/34/621693034.db2.gz QDILYQPEJPKNPS-DOTOQJQBSA-N 0 3 310.397 3.386 20 10 DGCDHN COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000757653537 621731055 /nfs/dbraw/zinc/73/10/55/621731055.db2.gz JIHYGISANNIZBA-GXTWGEPZSA-N 0 3 307.365 3.423 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c([O-])c1 ZINC000757864680 621743719 /nfs/dbraw/zinc/74/37/19/621743719.db2.gz BTCHDWOVSPWHEI-NVXWUHKLSA-N 0 3 307.434 3.020 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c([O-])c1 ZINC000757864680 621743722 /nfs/dbraw/zinc/74/37/22/621743722.db2.gz BTCHDWOVSPWHEI-NVXWUHKLSA-N 0 3 307.434 3.020 20 10 DGCDHN COc1ccc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1C ZINC000865711815 621981476 /nfs/dbraw/zinc/98/14/76/621981476.db2.gz RCZYLROAGFROEZ-KBPBESRZSA-N 0 3 305.340 3.041 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2CCC23CCOCC3)c([O-])c1 ZINC000865778350 621993606 /nfs/dbraw/zinc/99/36/06/621993606.db2.gz IHFWHEAFVXAMQJ-OAHLLOKOSA-N 0 3 305.418 3.087 20 10 DGCDHN Oc1cccc2c1[C@H](NCc1ccc(Br)cn1)CC2 ZINC000866568936 622140582 /nfs/dbraw/zinc/14/05/82/622140582.db2.gz ICGGGUDSWREGEK-CYBMUJFWSA-N 0 3 319.202 3.327 20 10 DGCDHN C[C@H](N[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765834813 622290279 /nfs/dbraw/zinc/29/02/79/622290279.db2.gz HTKGCIFPXDUGMX-UONOGXRCSA-N 0 3 324.852 3.006 20 10 DGCDHN CCOc1ccc(CN(C)Cc2ccccc2OC)c(O)c1 ZINC000768162329 622442771 /nfs/dbraw/zinc/44/27/71/622442771.db2.gz BBBMRVWBEXDWHX-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CCOc2ccc(F)cc2)c([O-])c1 ZINC000768213256 622445773 /nfs/dbraw/zinc/44/57/73/622445773.db2.gz PHGJYFHTQJCMDL-UHFFFAOYSA-N 0 3 319.376 3.441 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CCOc2ccc(F)cc2)c([O-])c1 ZINC000768213256 622445775 /nfs/dbraw/zinc/44/57/75/622445775.db2.gz PHGJYFHTQJCMDL-UHFFFAOYSA-N 0 3 319.376 3.441 20 10 DGCDHN C[N@H+](CCC1CCCCC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443244 622456258 /nfs/dbraw/zinc/45/62/58/622456258.db2.gz BVDSGYVSECKSHG-KRWDZBQOSA-N 0 3 305.418 3.220 20 10 DGCDHN C[N@@H+](CCC1CCCCC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443244 622456260 /nfs/dbraw/zinc/45/62/60/622456260.db2.gz BVDSGYVSECKSHG-KRWDZBQOSA-N 0 3 305.418 3.220 20 10 DGCDHN CC(C)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463619 622458336 /nfs/dbraw/zinc/45/83/36/622458336.db2.gz KNAQKBBHTFTBLD-PBHICJAKSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463619 622458337 /nfs/dbraw/zinc/45/83/37/622458337.db2.gz KNAQKBBHTFTBLD-PBHICJAKSA-N 0 3 305.418 3.219 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000769390165 622523935 /nfs/dbraw/zinc/52/39/35/622523935.db2.gz RBBATBHRJUIQIG-ZDUSSCGKSA-N 0 3 301.386 3.169 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000769390165 622523936 /nfs/dbraw/zinc/52/39/36/622523936.db2.gz RBBATBHRJUIQIG-ZDUSSCGKSA-N 0 3 301.386 3.169 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)c([O-])c1 ZINC000769474882 622531513 /nfs/dbraw/zinc/53/15/13/622531513.db2.gz SWQZKCDJXDMQJC-IAGOWNOFSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)c([O-])c1 ZINC000769474882 622531514 /nfs/dbraw/zinc/53/15/14/622531514.db2.gz SWQZKCDJXDMQJC-IAGOWNOFSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c([O-])c1 ZINC000769484029 622533042 /nfs/dbraw/zinc/53/30/42/622533042.db2.gz JKQGENZKEOTSKE-SFHVURJKSA-N 0 3 305.418 3.184 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c([O-])c1 ZINC000769484029 622533045 /nfs/dbraw/zinc/53/30/45/622533045.db2.gz JKQGENZKEOTSKE-SFHVURJKSA-N 0 3 305.418 3.184 20 10 DGCDHN Oc1ccccc1CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000770509541 622640671 /nfs/dbraw/zinc/64/06/71/622640671.db2.gz NXRJPUQHSJNNGQ-UHFFFAOYSA-N 0 3 316.832 3.363 20 10 DGCDHN CC[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773105582 622984878 /nfs/dbraw/zinc/98/48/78/622984878.db2.gz HWXYOTQFKKWLIE-TZMCWYRMSA-N 0 3 304.356 3.107 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000773402826 623022457 /nfs/dbraw/zinc/02/24/57/623022457.db2.gz UDIPOUPVONBSPW-QUJCMNEKSA-N 0 3 313.397 3.444 20 10 DGCDHN CCN(C)c1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000773808149 623074494 /nfs/dbraw/zinc/07/44/94/623074494.db2.gz NUGJXCUNJDNJCH-GOSISDBHSA-N 0 3 312.461 3.386 20 10 DGCDHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000775579677 623292440 /nfs/dbraw/zinc/29/24/40/623292440.db2.gz PQSUIANVDXXLES-ILXRZTDVSA-N 0 3 320.433 3.218 20 10 DGCDHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000775580878 623293433 /nfs/dbraw/zinc/29/34/33/623293433.db2.gz MZWOIHPGDKBKAJ-ZNMIVQPWSA-N 0 3 320.433 3.218 20 10 DGCDHN Cn1ccnc1[C@@H](NCCCSc1nccs1)C1CC1 ZINC000775635179 623299577 /nfs/dbraw/zinc/29/95/77/623299577.db2.gz UWXDQESWNYIHEK-LBPRGKRZSA-N 0 3 308.476 3.100 20 10 DGCDHN C[C@H](NCc1cn(C)nc1C(F)F)c1ccc(N(C)C)cc1 ZINC000775833008 623339417 /nfs/dbraw/zinc/33/94/17/623339417.db2.gz FFXBBHYICJEMDF-NSHDSACASA-N 0 3 308.376 3.275 20 10 DGCDHN COC(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775837504 623339536 /nfs/dbraw/zinc/33/95/36/623339536.db2.gz UBCNOEHRQOWJNX-GFCCVEGCSA-N 0 3 318.442 3.452 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000776252392 623401468 /nfs/dbraw/zinc/40/14/68/623401468.db2.gz SVXYQIHPFXSGCA-INIZCTEOSA-N 0 3 323.795 3.186 20 10 DGCDHN CC(C)C1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000777561207 623541570 /nfs/dbraw/zinc/54/15/70/623541570.db2.gz GWJDGKQOPLMLBG-INIZCTEOSA-N 0 3 305.418 3.076 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000876809183 623712371 /nfs/dbraw/zinc/71/23/71/623712371.db2.gz XEOYFNXIRGUXIR-DOTOQJQBSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000876809183 623712375 /nfs/dbraw/zinc/71/23/75/623712375.db2.gz XEOYFNXIRGUXIR-DOTOQJQBSA-N 0 3 301.386 3.382 20 10 DGCDHN COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000778996533 623718076 /nfs/dbraw/zinc/71/80/76/623718076.db2.gz PJXOMPDIJTVFCX-UHFFFAOYSA-N 0 3 317.360 3.097 20 10 DGCDHN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000778996533 623718080 /nfs/dbraw/zinc/71/80/80/623718080.db2.gz PJXOMPDIJTVFCX-UHFFFAOYSA-N 0 3 317.360 3.097 20 10 DGCDHN C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000779007963 623720383 /nfs/dbraw/zinc/72/03/83/623720383.db2.gz OQXWENHOKQRKCJ-KRWDZBQOSA-N 0 3 310.441 3.489 20 10 DGCDHN C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1[O-] ZINC000779007963 623720388 /nfs/dbraw/zinc/72/03/88/623720388.db2.gz OQXWENHOKQRKCJ-KRWDZBQOSA-N 0 3 310.441 3.489 20 10 DGCDHN CCC(CC)C(=O)N1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876948361 623751996 /nfs/dbraw/zinc/75/19/96/623751996.db2.gz GZXNJJNEZPHWMQ-UHFFFAOYSA-N 0 3 318.461 3.217 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000877023517 623767892 /nfs/dbraw/zinc/76/78/92/623767892.db2.gz UYAOQUGMUGUDMG-ZDUSSCGKSA-N 0 3 308.422 3.094 20 10 DGCDHN COC(=O)c1ccc2c(c1)CN(Cc1cccc(C)c1O)CC2 ZINC000779600333 623780365 /nfs/dbraw/zinc/78/03/65/623780365.db2.gz ZHSVTZYJDYZQJF-UHFFFAOYSA-N 0 3 311.381 3.046 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000877374583 623860947 /nfs/dbraw/zinc/86/09/47/623860947.db2.gz KRNLTBOTUJZUEK-QGZVFWFLSA-N 0 3 305.805 3.351 20 10 DGCDHN Cc1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000877457692 623890603 /nfs/dbraw/zinc/89/06/03/623890603.db2.gz ACFUGHCNWCMGTD-UHFFFAOYSA-N 0 3 316.367 3.065 20 10 DGCDHN COC(=O)c1csc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000877532038 623926974 /nfs/dbraw/zinc/92/69/74/623926974.db2.gz BWWNKWGQNLQWRV-JTQLQIEISA-N 0 3 321.398 3.100 20 10 DGCDHN c1cc(-c2n[nH]cc2CNCc2ccc3c(c2)CCO3)cs1 ZINC000780521847 623943035 /nfs/dbraw/zinc/94/30/35/623943035.db2.gz XPGCLYIUXCPQQA-UHFFFAOYSA-N 0 3 311.410 3.363 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c([O-])c1 ZINC000877570637 623946183 /nfs/dbraw/zinc/94/61/83/623946183.db2.gz LICDFGWVEKNRLU-WBVHZDCISA-N 0 3 317.429 3.208 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c([O-])c1 ZINC000877570637 623946188 /nfs/dbraw/zinc/94/61/88/623946188.db2.gz LICDFGWVEKNRLU-WBVHZDCISA-N 0 3 317.429 3.208 20 10 DGCDHN COC[C@@H](NCc1ccc(C)cc1O)c1cccc(OC)c1 ZINC000877626710 623968733 /nfs/dbraw/zinc/96/87/33/623968733.db2.gz YLYDLLZBPXZWGJ-QGZVFWFLSA-N 0 3 301.386 3.187 20 10 DGCDHN CC(=O)Nc1ccc2c(c1)CN(Cc1ccc(C)cc1O)CC2 ZINC000877817337 624048969 /nfs/dbraw/zinc/04/89/69/624048969.db2.gz LVELGSUHKSERBU-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN Cc1ccc(CN2CC[C@H](C(F)(F)F)O[C@H](C)C2)c(O)c1 ZINC000877820320 624051000 /nfs/dbraw/zinc/05/10/00/624051000.db2.gz HDYSWXFOJDGFGE-BXUZGUMPSA-N 0 3 303.324 3.242 20 10 DGCDHN C[C@H]1OCC[C@H]1C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000878240773 624224531 /nfs/dbraw/zinc/22/45/31/624224531.db2.gz KUELRRIMHBBOSV-CABCVRRESA-N 0 3 301.386 3.412 20 10 DGCDHN C[C@H]1OCC[C@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000878240773 624224535 /nfs/dbraw/zinc/22/45/35/624224535.db2.gz KUELRRIMHBBOSV-CABCVRRESA-N 0 3 301.386 3.412 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccccc1[O-] ZINC000783504909 624359951 /nfs/dbraw/zinc/35/99/51/624359951.db2.gz OUDMKQRRPGJGHB-CYBMUJFWSA-N 0 3 312.369 3.200 20 10 DGCDHN C[C@@H]([NH2+]CCC(=O)NCC1CCCCC1)c1ccccc1[O-] ZINC000879648384 624621405 /nfs/dbraw/zinc/62/14/05/624621405.db2.gz MGBZXVVMSONLHT-CQSZACIVSA-N 0 3 304.434 3.129 20 10 DGCDHN CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879647387 624621484 /nfs/dbraw/zinc/62/14/84/624621484.db2.gz BOTGZJPNQAIDDV-CABCVRRESA-N 0 3 312.413 3.484 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879650062 624622744 /nfs/dbraw/zinc/62/27/44/624622744.db2.gz ZIVFGSXTDRHIGW-OCCSQVGLSA-N 0 3 321.804 3.136 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)c1ccccc1[O-] ZINC000879649699 624622988 /nfs/dbraw/zinc/62/29/88/624622988.db2.gz SUBRVEJGMGVFDN-CABCVRRESA-N 0 3 312.413 3.090 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)c1ccccc1[O-] ZINC000879650081 624623029 /nfs/dbraw/zinc/62/30/29/624623029.db2.gz ZXCQMSJMXKTYFX-TUVASFSCSA-N 0 3 304.434 3.221 20 10 DGCDHN Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648973 624623185 /nfs/dbraw/zinc/62/31/85/624623185.db2.gz IAAKAYJHRGNITA-HZPDHXFCSA-N 0 3 315.413 3.100 20 10 DGCDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccccc1O ZINC000879650460 624624824 /nfs/dbraw/zinc/62/48/24/624624824.db2.gz AXYFXNCMWOOSMS-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N(C)C1CCCCC1 ZINC000879652439 624626454 /nfs/dbraw/zinc/62/64/54/624626454.db2.gz DGYJYGCCIPXEHB-KBPBESRZSA-N 0 3 304.434 3.222 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000879653371 624626842 /nfs/dbraw/zinc/62/68/42/624626842.db2.gz PITCEMCBUKOSQC-RZLSGREXSA-N 0 3 304.434 3.126 20 10 DGCDHN CC(C)OCC[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000788272862 625111407 /nfs/dbraw/zinc/11/14/07/625111407.db2.gz YZVLJIFDRGJIBR-SFHVURJKSA-N 0 3 321.461 3.313 20 10 DGCDHN CC(C)OCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000788272862 625111410 /nfs/dbraw/zinc/11/14/10/625111410.db2.gz YZVLJIFDRGJIBR-SFHVURJKSA-N 0 3 321.461 3.313 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CNC1CC[NH+](CC2CCCC2)CC1 ZINC000882941994 625867334 /nfs/dbraw/zinc/86/73/34/625867334.db2.gz IOJMBPHZBOZJTI-UHFFFAOYSA-N 0 3 324.415 3.415 20 10 DGCDHN C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000799728573 626324813 /nfs/dbraw/zinc/32/48/13/626324813.db2.gz CKWOEPPKJUAMGC-XJKSGUPXSA-N 0 3 303.377 3.176 20 10 DGCDHN CCCCN(CC(=O)N1CCCC[C@@H]1C)Cc1ccccc1O ZINC000801596599 626411482 /nfs/dbraw/zinc/41/14/82/626411482.db2.gz HBBKODSTUHLODI-INIZCTEOSA-N 0 3 318.461 3.395 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCC(C)C ZINC000801599221 626411877 /nfs/dbraw/zinc/41/18/77/626411877.db2.gz FZTSOSVEWZWJQV-OAHLLOKOSA-N 0 3 306.450 3.155 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCC(C)C ZINC000801599221 626411878 /nfs/dbraw/zinc/41/18/78/626411878.db2.gz FZTSOSVEWZWJQV-OAHLLOKOSA-N 0 3 306.450 3.155 20 10 DGCDHN CCOc1ccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000801732789 626416498 /nfs/dbraw/zinc/41/64/98/626416498.db2.gz WYDJULALHVTQLO-ZIAGYGMSSA-N 0 3 307.434 3.474 20 10 DGCDHN CC(C)CC1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000808231929 626808050 /nfs/dbraw/zinc/80/80/50/626808050.db2.gz ROWQWARTEILUCS-KRWDZBQOSA-N 0 3 319.445 3.466 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)c1[O-] ZINC000808674739 626848351 /nfs/dbraw/zinc/84/83/51/626848351.db2.gz XNHJUXLDUJFDQF-NSHDSACASA-N 0 3 318.804 3.304 20 10 DGCDHN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808697806 626850411 /nfs/dbraw/zinc/85/04/11/626850411.db2.gz WATORWZNKLSGCU-GIPNMCIBSA-N 0 3 303.855 3.117 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000808706220 626851676 /nfs/dbraw/zinc/85/16/76/626851676.db2.gz FFOKXCRKBLQJTC-YPMHNXCESA-N 0 3 324.852 3.404 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000808706793 626851874 /nfs/dbraw/zinc/85/18/74/626851874.db2.gz VANTYJJLFCCCMI-MFKMUULPSA-N 0 3 305.809 3.285 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1[O-] ZINC000808719335 626853718 /nfs/dbraw/zinc/85/37/18/626853718.db2.gz VYRSZQBDOMUZQE-PRWKNARSSA-N 0 3 315.866 3.306 20 10 DGCDHN COc1ccc(CNCc2cccc(OC)c2O)c(Cl)c1 ZINC000809739998 626944213 /nfs/dbraw/zinc/94/42/13/626944213.db2.gz JSHCGRULZTXWNP-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN COc1cccc(CNCc2c[nH]c(-c3ccccc3)n2)c1O ZINC000809739485 626944312 /nfs/dbraw/zinc/94/43/12/626944312.db2.gz MHQVDMIMFONFSM-UHFFFAOYSA-N 0 3 309.369 3.081 20 10 DGCDHN COc1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1O ZINC000809739751 626944318 /nfs/dbraw/zinc/94/43/18/626944318.db2.gz CVVJRSVVBXVLPC-UHFFFAOYSA-N 0 3 322.748 3.252 20 10 DGCDHN C[NH+](C)CCN(Cc1ccco1)Cc1cc(Cl)ccc1[O-] ZINC000809746425 626945565 /nfs/dbraw/zinc/94/55/65/626945565.db2.gz RQNQYSPVUGJCPZ-UHFFFAOYSA-N 0 3 308.809 3.202 20 10 DGCDHN CCOc1ccc(C[NH2+]CC[C@H](O)c2ccccc2)c([O-])c1 ZINC000809746868 626946121 /nfs/dbraw/zinc/94/61/21/626946121.db2.gz CCLQUUMODNDJCR-KRWDZBQOSA-N 0 3 301.386 3.004 20 10 DGCDHN CN1CCN(c2ccc(CNc3cc(C4CC4)ccn3)cc2)CC1 ZINC000810175614 626984436 /nfs/dbraw/zinc/98/44/36/626984436.db2.gz PBJSPHWRPLQHLV-UHFFFAOYSA-N 0 3 322.456 3.323 20 10 DGCDHN CC(C)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cnn(C)c1 ZINC000886518620 627155763 /nfs/dbraw/zinc/15/57/63/627155763.db2.gz AKLLQXYDCIDSNU-QGZVFWFLSA-N 0 3 304.413 3.112 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2F)c([O-])c1 ZINC000886674668 627186980 /nfs/dbraw/zinc/18/69/80/627186980.db2.gz PCOWLWVUEZAESV-HIFRSBDPSA-N 0 3 303.377 3.094 20 10 DGCDHN C[C@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000886708667 627195641 /nfs/dbraw/zinc/19/56/41/627195641.db2.gz ADYDFCHCGVOOLE-HOTGVXAUSA-N 0 3 319.445 3.409 20 10 DGCDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000813108562 627451175 /nfs/dbraw/zinc/45/11/75/627451175.db2.gz HQJDIYIQCJPSCQ-LLVKDONJSA-N 0 3 320.320 3.055 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c([O-])c1 ZINC000814171867 627546778 /nfs/dbraw/zinc/54/67/78/627546778.db2.gz XJSYBJISMXGMJI-KRWDZBQOSA-N 0 3 307.434 3.068 20 10 DGCDHN COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000815122874 627631380 /nfs/dbraw/zinc/63/13/80/627631380.db2.gz QJTQQQWGJWMRSR-GDBMZVCRSA-N 0 3 305.418 3.384 20 10 DGCDHN C[C@H](c1ccc(N(C)C)cc1)N1CCOc2ccc(N)cc2C1 ZINC000925750952 627787209 /nfs/dbraw/zinc/78/72/09/627787209.db2.gz WRULUKPAGMEMSG-CQSZACIVSA-N 0 3 311.429 3.290 20 10 DGCDHN CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816514709 627800577 /nfs/dbraw/zinc/80/05/77/627800577.db2.gz FTKPBAINXSRUMO-CYBMUJFWSA-N 0 3 314.832 3.491 20 10 DGCDHN CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816514709 627800582 /nfs/dbraw/zinc/80/05/82/627800582.db2.gz FTKPBAINXSRUMO-CYBMUJFWSA-N 0 3 314.832 3.491 20 10 DGCDHN CC1CCN(CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816530677 627803233 /nfs/dbraw/zinc/80/32/33/627803233.db2.gz QIUZDZORUHWNES-UHFFFAOYSA-N 0 3 314.832 3.396 20 10 DGCDHN CN1CCC[C@@]2(CC[N@H+](Cc3ccc4ccccc4c3[O-])C2)C1 ZINC000816642074 627818418 /nfs/dbraw/zinc/81/84/18/627818418.db2.gz OQHMNSMIXZPZOH-HXUWFJFHSA-N 0 3 310.441 3.463 20 10 DGCDHN CN1CCC[C@@]2(CC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)C1 ZINC000816642074 627818422 /nfs/dbraw/zinc/81/84/22/627818422.db2.gz OQHMNSMIXZPZOH-HXUWFJFHSA-N 0 3 310.441 3.463 20 10 DGCDHN COc1cc([C@H](C)N[C@H](C)Cc2ccc(N(C)C)cc2C)on1 ZINC000926595217 627920005 /nfs/dbraw/zinc/92/00/05/627920005.db2.gz HHTMVBXPGSIQKY-KGLIPLIRSA-N 0 3 317.433 3.339 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1[O-] ZINC000817948879 627971942 /nfs/dbraw/zinc/97/19/42/627971942.db2.gz FDHANRQFOUPTRQ-QWRGUYRKSA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1[O-] ZINC000817948879 627971944 /nfs/dbraw/zinc/97/19/44/627971944.db2.gz FDHANRQFOUPTRQ-QWRGUYRKSA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCCCN1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817950305 627972504 /nfs/dbraw/zinc/97/25/04/627972504.db2.gz SJVPYWCPUKNSDU-UWVGGRQHSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817950305 627972509 /nfs/dbraw/zinc/97/25/09/627972509.db2.gz SJVPYWCPUKNSDU-UWVGGRQHSA-N 0 3 303.233 3.492 20 10 DGCDHN CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817958980 627974747 /nfs/dbraw/zinc/97/47/47/627974747.db2.gz NXWHBGMXNOMAQD-JQWIXIFHSA-N 0 3 315.255 3.179 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1nc3c(s1)CCC3)CC2 ZINC000926928762 627983291 /nfs/dbraw/zinc/98/32/91/627983291.db2.gz GJBIWUSTMQMVEB-ZDUSSCGKSA-N 0 3 300.427 3.157 20 10 DGCDHN Cc1ncc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1C ZINC000824568146 628671671 /nfs/dbraw/zinc/67/16/71/628671671.db2.gz ZVGZPQNIPOGRJD-UHFFFAOYSA-N 0 3 300.450 3.205 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c([O-])c1 ZINC000824589164 628674386 /nfs/dbraw/zinc/67/43/86/628674386.db2.gz BRGDPIQNMNRZQV-GOSISDBHSA-N 0 3 315.413 3.138 20 10 DGCDHN COC[C@@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000824593633 628674934 /nfs/dbraw/zinc/67/49/34/628674934.db2.gz RHXWJWWEIJDPAY-OAHLLOKOSA-N 0 3 315.413 3.438 20 10 DGCDHN COC[C@@H](C)Oc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000824593633 628674936 /nfs/dbraw/zinc/67/49/36/628674936.db2.gz RHXWJWWEIJDPAY-OAHLLOKOSA-N 0 3 315.413 3.438 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124150 628730628 /nfs/dbraw/zinc/73/06/28/628730628.db2.gz IVXCEYURVVDXKL-NOZJJQNGSA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124150 628730631 /nfs/dbraw/zinc/73/06/31/628730631.db2.gz IVXCEYURVVDXKL-NOZJJQNGSA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc(Cl)cc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124150 628730635 /nfs/dbraw/zinc/73/06/35/628730635.db2.gz IVXCEYURVVDXKL-NOZJJQNGSA-N 0 3 323.742 3.099 20 10 DGCDHN CCOc1ccc(C[NH2+]CC(C)(C)C2(O)CCCC2)c([O-])c1 ZINC000825231718 628740411 /nfs/dbraw/zinc/74/04/11/628740411.db2.gz FHWWIXUZXXIXDL-UHFFFAOYSA-N 0 3 307.434 3.212 20 10 DGCDHN COCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCC1 ZINC000825245681 628741849 /nfs/dbraw/zinc/74/18/49/628741849.db2.gz PAFAIXGAKLRDSY-UHFFFAOYSA-N 0 3 313.825 3.351 20 10 DGCDHN CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000825299200 628747729 /nfs/dbraw/zinc/74/77/29/628747729.db2.gz FQWFRGGCWSJGKQ-ZIAGYGMSSA-N 0 3 313.825 3.492 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000825311282 628748121 /nfs/dbraw/zinc/74/81/21/628748121.db2.gz IBIDWYXAZNMTDN-MRXNPFEDSA-N 0 3 303.427 3.447 20 10 DGCDHN COCC1(C)CN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000826112724 628829576 /nfs/dbraw/zinc/82/95/76/628829576.db2.gz AJYJFCLSOMQOQA-UHFFFAOYSA-N 0 3 307.434 3.167 20 10 DGCDHN COCC1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCCC1 ZINC000827933892 629004978 /nfs/dbraw/zinc/00/49/78/629004978.db2.gz DUZAYYCDSQHGKA-UHFFFAOYSA-N 0 3 313.825 3.493 20 10 DGCDHN COc1ccc(OCCC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834530303 629721408 /nfs/dbraw/zinc/72/14/08/629721408.db2.gz FBOQVZKTEATPKE-KRWDZBQOSA-N 0 3 313.397 3.447 20 10 DGCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1c1ccccc1 ZINC000834585109 629734778 /nfs/dbraw/zinc/73/47/78/629734778.db2.gz GCTHWKKNVCXXMM-IAGOWNOFSA-N 0 3 322.408 3.165 20 10 DGCDHN Cc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)cc1 ZINC000834668241 629752563 /nfs/dbraw/zinc/75/25/63/629752563.db2.gz IXTNSKFOMBTWNA-IAGOWNOFSA-N 0 3 322.408 3.083 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1COc3ccccc3O1)CC2 ZINC000834685513 629756930 /nfs/dbraw/zinc/75/69/30/629756930.db2.gz YNXJNBFIANJURI-HUUCEWRRSA-N 0 3 311.381 3.199 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]3SCCS[C@H]13)CC2 ZINC000834697186 629760555 /nfs/dbraw/zinc/76/05/55/629760555.db2.gz HBUUCTSCBAYXJN-ZNEHSRBWSA-N 0 3 307.484 3.349 20 10 DGCDHN Cn1nc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC000834770024 629776819 /nfs/dbraw/zinc/77/68/19/629776819.db2.gz RTRIAZUJUFOJQU-INIZCTEOSA-N 0 3 307.397 3.099 20 10 DGCDHN CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000834783938 629779469 /nfs/dbraw/zinc/77/94/69/629779469.db2.gz PKBCQNAIHZEFOI-HZPDHXFCSA-N 0 3 311.429 3.304 20 10 DGCDHN CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000834783934 629779910 /nfs/dbraw/zinc/77/99/10/629779910.db2.gz PKBCQNAIHZEFOI-CVEARBPZSA-N 0 3 311.429 3.304 20 10 DGCDHN CCN(CC[NH2+][C@H]1CCc2cccc([O-])c21)CCC(F)(F)F ZINC000834783308 629779914 /nfs/dbraw/zinc/77/99/14/629779914.db2.gz FGNFFQUARCSRNA-ZDUSSCGKSA-N 0 3 316.367 3.243 20 10 DGCDHN CC[C@@H](NCc1n[nH]c(C(C)C)n1)c1ccc(N(C)C)cc1 ZINC000834869745 629794292 /nfs/dbraw/zinc/79/42/92/629794292.db2.gz FWPZKCMYPYGDCS-OAHLLOKOSA-N 0 3 301.438 3.235 20 10 DGCDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834880783 629795991 /nfs/dbraw/zinc/79/59/91/629795991.db2.gz QUPWUFYQTCFZAS-LALPHHSUSA-N 0 3 313.825 3.056 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2cccc3c2OCCO3)cc1 ZINC000835032422 629829749 /nfs/dbraw/zinc/82/97/49/629829749.db2.gz BZFREGNEGVZSRX-PLNGDYQASA-N 0 3 324.424 3.327 20 10 DGCDHN Cc1ccccc1[C@@H](CO)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835042089 629832697 /nfs/dbraw/zinc/83/26/97/629832697.db2.gz GPWCQXMRAYUWFH-LQOHYYORSA-N 0 3 310.441 3.397 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@H](CO)c2ccsc2)cc1 ZINC000835045860 629833771 /nfs/dbraw/zinc/83/37/71/629833771.db2.gz DXTJIUVDJCYQKE-CWIOURORSA-N 0 3 302.443 3.151 20 10 DGCDHN Cc1nccn1CCCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840898412 630374445 /nfs/dbraw/zinc/37/44/45/630374445.db2.gz DSNRMFSCXJBMAW-UHFFFAOYSA-N 0 3 307.825 3.429 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000840910576 630376658 /nfs/dbraw/zinc/37/66/58/630376658.db2.gz JRIMJGRNSMSPDE-AWEZNQCLSA-N 0 3 308.853 3.414 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN(C)CCNC(=O)OC(C)(C)C ZINC000840953010 630383669 /nfs/dbraw/zinc/38/36/69/630383669.db2.gz KNBUTVCYEMHUJC-UHFFFAOYSA-N 0 3 321.465 3.018 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1[O-] ZINC000840960910 630386047 /nfs/dbraw/zinc/38/60/47/630386047.db2.gz NUFOFFIVFBKRLX-HWPZZCPQSA-N 0 3 313.825 3.347 20 10 DGCDHN COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000840973599 630389353 /nfs/dbraw/zinc/38/93/53/630389353.db2.gz QYVRTYRFANQXLV-GUYCJALGSA-N 0 3 301.361 3.433 20 10 DGCDHN [NH3+][C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1c1ccccc1F ZINC000841104521 630408695 /nfs/dbraw/zinc/40/86/95/630408695.db2.gz UDNHQPWMOGQAAY-BLLLJJGKSA-N 0 3 320.795 3.111 20 10 DGCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301406 630425464 /nfs/dbraw/zinc/42/54/64/630425464.db2.gz NYKIPSDVMQPWHV-KBXCAEBGSA-N 0 3 324.428 3.226 20 10 DGCDHN CO[C@@H](CC(C)C)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000842151533 630498812 /nfs/dbraw/zinc/49/88/12/630498812.db2.gz CAIRSNLPGXEIHU-ROUUACIJSA-N 0 3 321.461 3.434 20 10 DGCDHN CO[C@@H](CC(C)C)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000842151533 630498813 /nfs/dbraw/zinc/49/88/13/630498813.db2.gz CAIRSNLPGXEIHU-ROUUACIJSA-N 0 3 321.461 3.434 20 10 DGCDHN CC(C)Cn1nccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842700028 630565211 /nfs/dbraw/zinc/56/52/11/630565211.db2.gz UIJAYXIVLTWILL-HNNXBMFYSA-N 0 3 300.450 3.456 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000843417776 630654261 /nfs/dbraw/zinc/65/42/61/630654261.db2.gz KRPQCZCRHLKUJJ-ZDUSSCGKSA-N 0 3 305.374 3.174 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccnn2CC(C)C)c1 ZINC000845970597 631204024 /nfs/dbraw/zinc/20/40/24/631204024.db2.gz ACRXFJYKUXYFNC-CYBMUJFWSA-N 0 3 303.406 3.104 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(C(C)(C)C)nc2)c1 ZINC000845970844 631204153 /nfs/dbraw/zinc/20/41/53/631204153.db2.gz DCYMMKLWSBLPJO-GFCCVEGCSA-N 0 3 315.417 3.339 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c([O-])c1 ZINC000845972649 631204335 /nfs/dbraw/zinc/20/43/35/631204335.db2.gz QQLABBUKOAWUQY-LBPRGKRZSA-N 0 3 317.385 3.356 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc(C(=O)OC)c(C)n1C)c1ccccc1[O-] ZINC000845992859 631204915 /nfs/dbraw/zinc/20/49/15/631204915.db2.gz RZKCAMIRHOUXAM-INIZCTEOSA-N 0 3 316.401 3.067 20 10 DGCDHN COc1cccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1O ZINC000846155741 631212509 /nfs/dbraw/zinc/21/25/09/631212509.db2.gz CIDGVCYMGYGHQO-WDEREUQCSA-N 0 3 304.394 3.054 20 10 DGCDHN COCC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccco1 ZINC000846166494 631213159 /nfs/dbraw/zinc/21/31/59/631213159.db2.gz XWJFIUSIAHFIQQ-JSGCOSHPSA-N 0 3 305.374 3.422 20 10 DGCDHN COc1cccc([C@@H](C)N[C@@H](CCO)c2ccccc2F)c1O ZINC000846175147 631213440 /nfs/dbraw/zinc/21/34/40/631213440.db2.gz XFEQSVWBKVQCOD-WBMJQRKESA-N 0 3 319.376 3.314 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c([O-])c1 ZINC000846216019 631215155 /nfs/dbraw/zinc/21/51/55/631215155.db2.gz OVLCCZFHZOVROP-XJKSGUPXSA-N 0 3 312.413 3.128 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)c([O-])c1 ZINC000848559200 631692045 /nfs/dbraw/zinc/69/20/45/631692045.db2.gz QLOVLAPNQUDHAC-GUYCJALGSA-N 0 3 310.397 3.305 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1[O-] ZINC000848558302 631692273 /nfs/dbraw/zinc/69/22/73/631692273.db2.gz LGICOAGQZZSTMI-BDJLRTHQSA-N 0 3 314.360 3.135 20 10 DGCDHN CCc1cccc(CN2CCCN(CC(F)(F)F)CC2)c1O ZINC000848881786 631769351 /nfs/dbraw/zinc/76/93/51/631769351.db2.gz UVUXFNKTGBJXRK-UHFFFAOYSA-N 0 3 316.367 3.025 20 10 DGCDHN CCc1cccc(CN[C@@H](CCO)c2ccccc2F)c1O ZINC000848919430 631786265 /nfs/dbraw/zinc/78/62/65/631786265.db2.gz KSWULKIXIAZDNJ-KRWDZBQOSA-N 0 3 303.377 3.307 20 10 DGCDHN COc1ccc(N2CC[C@H](NCc3ccc(Cl)o3)C2)cc1 ZINC000850345792 632119871 /nfs/dbraw/zinc/11/98/71/632119871.db2.gz KOMOHBDOPAXJFZ-LBPRGKRZSA-N 0 3 306.793 3.310 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2c(C3CC3)cnn2C)cc1 ZINC000850379477 632132764 /nfs/dbraw/zinc/13/27/64/632132764.db2.gz QLBKOAPVOMOXHT-PLNGDYQASA-N 0 3 310.445 3.167 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c([O-])c1 ZINC000850382161 632133947 /nfs/dbraw/zinc/13/39/47/632133947.db2.gz OQXDXHVUKXOEQT-OAHLLOKOSA-N 0 3 317.360 3.023 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850388281 632136059 /nfs/dbraw/zinc/13/60/59/632136059.db2.gz KQSZXONWBVNWOT-RTBURBONSA-N 0 3 309.409 3.452 20 10 DGCDHN CCOc1ccc(O)c(CNCc2c(C3CCC3)cnn2C)c1 ZINC000850391287 632137123 /nfs/dbraw/zinc/13/71/23/632137123.db2.gz LHMRBYYJPSGGED-UHFFFAOYSA-N 0 3 315.417 3.082 20 10 DGCDHN CO[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])[C@@H]1CCOC1 ZINC000850484119 632165835 /nfs/dbraw/zinc/16/58/35/632165835.db2.gz CPZZAWJCUAJXPW-LALPHHSUSA-N 0 3 313.825 3.056 20 10 DGCDHN CC(=O)NCc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000850484611 632166936 /nfs/dbraw/zinc/16/69/36/632166936.db2.gz MMZGXMDPWAENPY-CQSZACIVSA-N 0 3 312.413 3.188 20 10 DGCDHN COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)cc1 ZINC000850486508 632167808 /nfs/dbraw/zinc/16/78/08/632167808.db2.gz IFHIQMORYNPHCY-MAUKXSAKSA-N 0 3 324.424 3.257 20 10 DGCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(F)cn3)C2)cc1 ZINC000850489648 632168719 /nfs/dbraw/zinc/16/87/19/632168719.db2.gz WGSKIIBSVLBGFD-DZGCQCFKSA-N 0 3 315.392 3.159 20 10 DGCDHN Cc1cncc(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC000850549456 632189161 /nfs/dbraw/zinc/18/91/61/632189161.db2.gz GSKMGXYLLKVWSZ-YGRLFVJLSA-N 0 3 301.365 3.010 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccccc1[O-] ZINC000850561077 632194462 /nfs/dbraw/zinc/19/44/62/632194462.db2.gz HXAMYSRPDWNDTP-MAUKXSAKSA-N 0 3 307.434 3.001 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c([O-])c1 ZINC000850561030 632194516 /nfs/dbraw/zinc/19/45/16/632194516.db2.gz HMUCOPNKYJXVOA-DNVCBOLYSA-N 0 3 321.461 3.227 20 10 DGCDHN Oc1cccc2c1[C@H](NCc1cccc3c1OC(F)(F)O3)CC2 ZINC000850572139 632198328 /nfs/dbraw/zinc/19/83/28/632198328.db2.gz BMULZUNLEWULNL-GFCCVEGCSA-N 0 3 319.307 3.491 20 10 DGCDHN CO[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)[C@H]1CCOC1 ZINC000851771897 632489153 /nfs/dbraw/zinc/48/91/53/632489153.db2.gz RDGHRRDRPPCDLB-LPHOPBHVSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)[C@H]1CCOC1 ZINC000851771897 632489156 /nfs/dbraw/zinc/48/91/56/632489156.db2.gz RDGHRRDRPPCDLB-LPHOPBHVSA-N 0 3 319.445 3.188 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000851792100 632495129 /nfs/dbraw/zinc/49/51/29/632495129.db2.gz KTMVVQTVYVHIRJ-BHYGNILZSA-N 0 3 316.445 3.052 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000851792100 632495132 /nfs/dbraw/zinc/49/51/32/632495132.db2.gz KTMVVQTVYVHIRJ-BHYGNILZSA-N 0 3 316.445 3.052 20 10 DGCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CNC(=O)C1 ZINC000851879879 632513722 /nfs/dbraw/zinc/51/37/22/632513722.db2.gz QDBAUNMQBUSBRV-JKSUJKDBSA-N 0 3 324.424 3.092 20 10 DGCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CNC(=O)C1 ZINC000851879879 632513727 /nfs/dbraw/zinc/51/37/27/632513727.db2.gz QDBAUNMQBUSBRV-JKSUJKDBSA-N 0 3 324.424 3.092 20 10 DGCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CNC(=O)C1 ZINC000851879877 632513857 /nfs/dbraw/zinc/51/38/57/632513857.db2.gz QDBAUNMQBUSBRV-HOTGVXAUSA-N 0 3 324.424 3.092 20 10 DGCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CNC(=O)C1 ZINC000851879877 632513860 /nfs/dbraw/zinc/51/38/60/632513860.db2.gz QDBAUNMQBUSBRV-HOTGVXAUSA-N 0 3 324.424 3.092 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000184801024 660187697 /nfs/dbraw/zinc/18/76/97/660187697.db2.gz VBSIZDFXYCEKEV-IBGZPJMESA-N 0 3 310.441 3.489 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000184801024 660187698 /nfs/dbraw/zinc/18/76/98/660187698.db2.gz VBSIZDFXYCEKEV-IBGZPJMESA-N 0 3 310.441 3.489 20 10 DGCDHN COc1ccc(OCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184903664 660194587 /nfs/dbraw/zinc/19/45/87/660194587.db2.gz UMQNZJBHYDFFTJ-AWEZNQCLSA-N 0 3 301.386 3.439 20 10 DGCDHN C[C@H]([NH2+]CCCOCC1CCOCC1)c1cc(F)ccc1[O-] ZINC000185520647 660227003 /nfs/dbraw/zinc/22/70/03/660227003.db2.gz NHICEUFDHFMQHT-ZDUSSCGKSA-N 0 3 311.397 3.015 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(F)ccc1[O-] ZINC000186095317 660266286 /nfs/dbraw/zinc/26/62/86/660266286.db2.gz IBPJDTUOGOCYCO-MQJDWESPSA-N 0 3 307.390 3.120 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2CCc3ccc(OC)cc3C2)c([O-])c1 ZINC000793386561 661029329 /nfs/dbraw/zinc/02/93/29/661029329.db2.gz WNDOJXCLHBVKJF-MRXNPFEDSA-N 0 3 313.397 3.057 20 10 DGCDHN COc1cc(CN2Cc3ccccc3O[C@@H](C)C2)c(O)cc1C ZINC000793780840 661057228 /nfs/dbraw/zinc/05/72/28/661057228.db2.gz MQJWRBNXNBWLLS-AWEZNQCLSA-N 0 3 313.397 3.492 20 10 DGCDHN CC(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794706333 661100260 /nfs/dbraw/zinc/10/02/60/661100260.db2.gz OVZRDCCQHSSANP-XJKSGUPXSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794706333 661100262 /nfs/dbraw/zinc/10/02/62/661100262.db2.gz OVZRDCCQHSSANP-XJKSGUPXSA-N 0 3 305.418 3.076 20 10 DGCDHN C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000794833471 661108067 /nfs/dbraw/zinc/10/80/67/661108067.db2.gz DZOSDGKQYPQXKG-LMWSTFAQSA-N 0 3 310.388 3.338 20 10 DGCDHN C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000794833471 661108069 /nfs/dbraw/zinc/10/80/69/661108069.db2.gz DZOSDGKQYPQXKG-LMWSTFAQSA-N 0 3 310.388 3.338 20 10 DGCDHN CC(C)NC(=O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000160975912 655702536 /nfs/dbraw/zinc/70/25/36/655702536.db2.gz WWJBWSYFNLULIB-MRXNPFEDSA-N 0 3 317.477 3.242 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000715103779 661208104 /nfs/dbraw/zinc/20/81/04/661208104.db2.gz OKWIASASWIMLBA-MGPQQGTHSA-N 0 3 320.433 3.346 20 10 DGCDHN Oc1cc2c(cc1CNCc1ccc(F)c(Cl)c1)OCO2 ZINC000053149792 656063689 /nfs/dbraw/zinc/06/36/89/656063689.db2.gz UFNRODVHOGHQHB-UHFFFAOYSA-N 0 3 309.724 3.203 20 10 DGCDHN CC[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183133947 656110843 /nfs/dbraw/zinc/11/08/43/656110843.db2.gz ALJSYSXQBUMMNJ-LJQANCHMSA-N 0 3 315.413 3.222 20 10 DGCDHN C[C@@H]1CC(F)(F)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000931256369 656193651 /nfs/dbraw/zinc/19/36/51/656193651.db2.gz XUJNONVFVOQBOR-CQSZACIVSA-N 0 3 310.388 3.143 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313342527 656268483 /nfs/dbraw/zinc/26/84/83/656268483.db2.gz GFQQOZXIGOLTGD-INIZCTEOSA-N 0 3 302.805 3.192 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000724943320 656530369 /nfs/dbraw/zinc/53/03/69/656530369.db2.gz NPUORPFEHXCHDU-QWHCGFSZSA-N 0 3 306.406 3.052 20 10 DGCDHN CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1(C)C ZINC000236851250 656958469 /nfs/dbraw/zinc/95/84/69/656958469.db2.gz SXGIUKFTJVRVGH-IAGOWNOFSA-N 0 3 307.434 3.474 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3C[C@@H](C)O)c2c1 ZINC000305274156 657699352 /nfs/dbraw/zinc/69/93/52/657699352.db2.gz ZRMUCZXKQQXOJR-HIFRSBDPSA-N 0 3 315.413 3.289 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3C[C@@H](C)O)c2c1 ZINC000305274156 657699356 /nfs/dbraw/zinc/69/93/56/657699356.db2.gz ZRMUCZXKQQXOJR-HIFRSBDPSA-N 0 3 315.413 3.289 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2(O)CCC(C)CC2)c1[O-] ZINC000229052509 659233200 /nfs/dbraw/zinc/23/32/00/659233200.db2.gz BLHFSNPPOILWIT-UHFFFAOYSA-N 0 3 313.825 3.085 20 10 DGCDHN COc1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cc1OC ZINC000323907591 659242524 /nfs/dbraw/zinc/24/25/24/659242524.db2.gz RQVRRRBZWXWJOI-HNNXBMFYSA-N 0 3 313.397 3.229 20 10 DGCDHN COc1cc(Br)cc(CNCc2ccoc2)c1O ZINC000171128406 659260711 /nfs/dbraw/zinc/26/07/11/659260711.db2.gz WOEQRMZWXYXVPE-UHFFFAOYSA-N 0 3 312.163 3.046 20 10 DGCDHN C[C@H](NCc1ccc([S@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000090221160 659530464 /nfs/dbraw/zinc/53/04/64/659530464.db2.gz GWJRRLXDDPKBFR-RCDICMHDSA-N 0 3 316.470 3.341 20 10 DGCDHN CCCN(CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC000075829193 659928371 /nfs/dbraw/zinc/92/83/71/659928371.db2.gz BSZIVUABQAQARJ-IYBDPMFKSA-N 0 3 318.461 3.109 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000180153364 659953439 /nfs/dbraw/zinc/95/34/39/659953439.db2.gz XLXCDPGXZLUBEH-SFHVURJKSA-N 0 3 315.388 3.403 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000180153364 659953440 /nfs/dbraw/zinc/95/34/40/659953440.db2.gz XLXCDPGXZLUBEH-SFHVURJKSA-N 0 3 315.388 3.403 20 10 DGCDHN Cc1cccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c1O ZINC000180414827 659962213 /nfs/dbraw/zinc/96/22/13/659962213.db2.gz DUPKABWPEOWUFU-FQEVSTJZSA-N 0 3 309.409 3.375 20 10 DGCDHN CCCCC[C@@H](C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182406327 660051414 /nfs/dbraw/zinc/05/14/14/660051414.db2.gz VVDWINXUYUOJAT-ZIAGYGMSSA-N 0 3 322.449 3.136 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccco1 ZINC000182897862 660088777 /nfs/dbraw/zinc/08/87/77/660088777.db2.gz SCWDSXIYEPUCRE-UHFFFAOYSA-N 0 3 311.385 3.274 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccco1 ZINC000182897862 660088779 /nfs/dbraw/zinc/08/87/79/660088779.db2.gz SCWDSXIYEPUCRE-UHFFFAOYSA-N 0 3 311.385 3.274 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2(O)CCCCCC2)c1[O-] ZINC000184708907 660182408 /nfs/dbraw/zinc/18/24/08/660182408.db2.gz QJWGWIKCGXOQNN-UHFFFAOYSA-N 0 3 313.825 3.229 20 10 DGCDHN COc1ccc(N(C)CCN(C)[C@H](C)c2ccc(F)nc2)cc1 ZINC000930852064 661434379 /nfs/dbraw/zinc/43/43/79/661434379.db2.gz GEUCVYFVXLNIGK-CQSZACIVSA-N 0 3 317.408 3.359 20 10 DGCDHN CCN(C)c1ccc(CNCc2ccc3c(c2)CCCN3C)cn1 ZINC000190907807 662048924 /nfs/dbraw/zinc/04/89/24/662048924.db2.gz XMASVCPDROJDBU-UHFFFAOYSA-N 0 3 324.472 3.210 20 10 DGCDHN Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000191564922 662072697 /nfs/dbraw/zinc/07/26/97/662072697.db2.gz XAMKVCDYHJRKJR-BBRMVZONSA-N 0 3 303.377 3.094 20 10 DGCDHN CC[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000091929323 662324520 /nfs/dbraw/zinc/32/45/20/662324520.db2.gz AMKQKBVACASZFX-JTQLQIEISA-N 0 3 314.223 3.395 20 10 DGCDHN CC[C@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000091929323 662324523 /nfs/dbraw/zinc/32/45/23/662324523.db2.gz AMKQKBVACASZFX-JTQLQIEISA-N 0 3 314.223 3.395 20 10 DGCDHN COc1cc(Br)cc(C[N@H+](C)C2CCC2)c1[O-] ZINC000093475700 662354724 /nfs/dbraw/zinc/35/47/24/662354724.db2.gz WFOFYONJTFUGRY-UHFFFAOYSA-N 0 3 300.196 3.148 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+](C)C2CCC2)c1[O-] ZINC000093475700 662354727 /nfs/dbraw/zinc/35/47/27/662354727.db2.gz WFOFYONJTFUGRY-UHFFFAOYSA-N 0 3 300.196 3.148 20 10 DGCDHN CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000381338136 685156857 /nfs/dbraw/zinc/15/68/57/685156857.db2.gz AXGTXBWHFDFFIO-QMTHXVAHSA-N 0 3 301.814 3.205 20 10 DGCDHN [NH3+]C[C@]12CN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]1CCCC2 ZINC001580256857 1192016651 /nfs/dbraw/zinc/01/66/51/1192016651.db2.gz YNHAUXUQZFHCCC-MEDUHNTESA-N 0 3 312.816 3.136 20 10 DGCDHN CC(C)C[N@H+](C)CCCNCc1cc(Cl)c(F)cc1[O-] ZINC001665160674 1197103206 /nfs/dbraw/zinc/10/32/06/1197103206.db2.gz UPTDWPWKDGJRCN-UHFFFAOYSA-N 0 3 302.821 3.252 20 10 DGCDHN CC(C)C[N@@H+](C)CCCNCc1cc(Cl)c(F)cc1[O-] ZINC001665160674 1197103209 /nfs/dbraw/zinc/10/32/09/1197103209.db2.gz UPTDWPWKDGJRCN-UHFFFAOYSA-N 0 3 302.821 3.252 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@H]2C[C@@H](OC(C)(C)C)C2)cc1F ZINC001620983095 1192770026 /nfs/dbraw/zinc/77/00/26/1192770026.db2.gz SKEFXNMSFPWGRT-BETUJISGSA-N 0 3 312.404 3.467 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC001331056759 1178125719 /nfs/dbraw/zinc/12/57/19/1178125719.db2.gz ADQPAAQMBWRKAZ-PKOBYXMFSA-N 0 3 314.404 3.375 20 10 DGCDHN c1ccn(-c2ccc(-c3nc([C@H]4CN5CCC4CC5)no3)cc2)c1 ZINC001342544106 1179151370 /nfs/dbraw/zinc/15/13/70/1179151370.db2.gz FHTLGBRQSCCTJD-KRWDZBQOSA-N 0 3 320.396 3.337 20 10 DGCDHN C[C@@H](NCc1ccc(N)cc1)c1cccc(N2CCCC2=O)c1 ZINC001345160153 1179535439 /nfs/dbraw/zinc/53/54/39/1179535439.db2.gz SKCDDBFKZJNIDO-CQSZACIVSA-N 0 3 309.413 3.246 20 10 DGCDHN CCOc1ccc(N2CCN(CCC[C@H]3CCOC3)CC2)cc1 ZINC001345764473 1179603601 /nfs/dbraw/zinc/60/36/01/1179603601.db2.gz UWIHHYDAYVSUKN-KRWDZBQOSA-N 0 3 318.461 3.024 20 10 DGCDHN Cc1ccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001352862512 1180411476 /nfs/dbraw/zinc/41/14/76/1180411476.db2.gz NNWUZASCBAOIQV-UHFFFAOYSA-N 0 3 308.422 3.095 20 10 DGCDHN COC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccccc1 ZINC001353585548 1180597748 /nfs/dbraw/zinc/59/77/48/1180597748.db2.gz YBCHGDWXSGKBSL-MRXNPFEDSA-N 0 3 301.386 3.187 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001474596799 1181593362 /nfs/dbraw/zinc/59/33/62/1181593362.db2.gz BKNSWJLEPNJMRY-KBPBESRZSA-N 0 3 322.449 3.482 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC001462169554 1182917937 /nfs/dbraw/zinc/91/79/37/1182917937.db2.gz KNCHRXVJWNQNKR-GWCFXTLKSA-N 0 3 303.324 3.482 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC001462169554 1182917941 /nfs/dbraw/zinc/91/79/41/1182917941.db2.gz KNCHRXVJWNQNKR-GWCFXTLKSA-N 0 3 303.324 3.482 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC001462252382 1182929396 /nfs/dbraw/zinc/92/93/96/1182929396.db2.gz VGNKDRVEIKTTEE-IAGOWNOFSA-N 0 3 305.418 3.099 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC001462252382 1182929400 /nfs/dbraw/zinc/92/94/00/1182929400.db2.gz VGNKDRVEIKTTEE-IAGOWNOFSA-N 0 3 305.418 3.099 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC001474435231 1183921716 /nfs/dbraw/zinc/92/17/16/1183921716.db2.gz BPTWHYDWBVUBFO-QWHCGFSZSA-N 0 3 324.415 3.413 20 10 DGCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC001474451631 1183924376 /nfs/dbraw/zinc/92/43/76/1183924376.db2.gz ACKWBQIZVQHYIN-ZBFHGGJFSA-N 0 3 320.433 3.047 20 10 DGCDHN COc1ccc(C[NH2+]Cc2c(C)nc3scc(C)n32)c([O-])c1 ZINC001474472788 1183928249 /nfs/dbraw/zinc/92/82/49/1183928249.db2.gz FGGLJIXWWUQPLZ-UHFFFAOYSA-N 0 3 317.414 3.017 20 10 DGCDHN COc1cc(C)c(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)c([O-])c1 ZINC001474714207 1183966544 /nfs/dbraw/zinc/96/65/44/1183966544.db2.gz QTHVGQCIGVDHQK-UHFFFAOYSA-N 0 3 324.380 3.253 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001560360765 1189318047 /nfs/dbraw/zinc/31/80/47/1189318047.db2.gz YWSNTPPOXABTQH-OAHLLOKOSA-N 0 3 310.388 3.025 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001560360765 1189318053 /nfs/dbraw/zinc/31/80/53/1189318053.db2.gz YWSNTPPOXABTQH-OAHLLOKOSA-N 0 3 310.388 3.025 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2CCC3(CCC3)CO2)cc1F ZINC001621069617 1193798326 /nfs/dbraw/zinc/79/83/26/1193798326.db2.gz FRYODIMQDFRGDJ-CQSZACIVSA-N 0 3 324.415 3.470 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c([O-])c1 ZINC001621535181 1193855433 /nfs/dbraw/zinc/85/54/33/1193855433.db2.gz NESNXIIVFVJWIM-CQSZACIVSA-N 0 3 305.418 3.291 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001651902451 1195522019 /nfs/dbraw/zinc/52/20/19/1195522019.db2.gz IGUZODBUWCSRAC-MRXNPFEDSA-N 0 3 308.853 3.496 20 10 DGCDHN CCOc1ccc(N2CCN(C[C@@H](OCC)C3CC3)CC2)cc1 ZINC001652963905 1195675630 /nfs/dbraw/zinc/67/56/30/1195675630.db2.gz CSZKCHGOWJTMIY-LJQANCHMSA-N 0 3 318.461 3.022 20 10 DGCDHN CN(C)c1cc(F)c(CNCCOc2ccccc2F)cc1F ZINC001655226430 1195893261 /nfs/dbraw/zinc/89/32/61/1195893261.db2.gz NHZOLBUCDGRXTI-UHFFFAOYSA-N 0 3 324.346 3.339 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1cnc2n1CCCC2 ZINC001657943585 1196195576 /nfs/dbraw/zinc/19/55/76/1196195576.db2.gz SKDRVFABXHZBTO-UHFFFAOYSA-N 0 3 308.429 3.309 20 10 DGCDHN CO[C@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001658102529 1196211986 /nfs/dbraw/zinc/21/19/86/1196211986.db2.gz RNTSQRAEJWNFIR-HOTGVXAUSA-N 0 3 310.388 3.078 20 10 DGCDHN CO[C@@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001658102530 1196212038 /nfs/dbraw/zinc/21/20/38/1196212038.db2.gz RNTSQRAEJWNFIR-HZPDHXFCSA-N 0 3 310.388 3.078 20 10 DGCDHN CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC001658777795 1196300077 /nfs/dbraw/zinc/30/00/77/1196300077.db2.gz IZBMUWBGERSACK-DUFXMDAXSA-N 0 3 315.244 3.129 20 10 DGCDHN Cc1nc2c(cccc2CC[NH2+]Cc2cc(F)ccc2[O-])o1 ZINC001658864435 1196311388 /nfs/dbraw/zinc/31/13/88/1196311388.db2.gz BMCLAEZHTSCRNN-UHFFFAOYSA-N 0 3 300.333 3.313 20 10 DGCDHN C[NH+](C)CCc1ccccc1NCc1cc(F)c(F)cc1[O-] ZINC001659509498 1196389800 /nfs/dbraw/zinc/38/98/00/1196389800.db2.gz CCULCEKMFIPQCQ-UHFFFAOYSA-N 0 3 306.356 3.387 20 10 DGCDHN C[C@@H](NCc1cccc(Br)n1)c1ccccc1O ZINC001659815269 1196417554 /nfs/dbraw/zinc/41/75/54/1196417554.db2.gz CUHDLNVAKQQUEE-SNVBAGLBSA-N 0 3 307.191 3.401 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c([O-])c1 ZINC001659952186 1196432135 /nfs/dbraw/zinc/43/21/35/1196432135.db2.gz LAZMITWHJACKPF-VQIMIIECSA-N 0 3 310.441 3.453 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC001660570910 1196498403 /nfs/dbraw/zinc/49/84/03/1196498403.db2.gz SITTUGYXQQKOFQ-KRWDZBQOSA-N 0 3 311.360 3.259 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc3cc(Cl)cnc3o2)c([O-])c1 ZINC001664450655 1197001013 /nfs/dbraw/zinc/00/10/13/1197001013.db2.gz QNGIAKXRQZUJAW-UHFFFAOYSA-N 0 3 318.760 3.485 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@](C)(OC)c2ccccc2)c([O-])c1 ZINC001664766643 1197055406 /nfs/dbraw/zinc/05/54/06/1197055406.db2.gz QZODPQFYUJPHIL-LJQANCHMSA-N 0 3 315.413 3.361 20 10 DGCDHN CC/C=C(/C)C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001668731772 1197427597 /nfs/dbraw/zinc/42/75/97/1197427597.db2.gz LPKDKTAEECZWBW-WEWPEUQNSA-N 0 3 316.445 3.122 20 10 DGCDHN CC/C(C)=C\C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001699651343 1202014631 /nfs/dbraw/zinc/01/46/31/1202014631.db2.gz BEIIXXLILSVXTC-UVTDQMKNSA-N 0 3 316.445 3.098 20 10 DGCDHN CCC[C@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001716677537 1203523295 /nfs/dbraw/zinc/52/32/95/1203523295.db2.gz BEYMEXDJYWXDOI-AWEZNQCLSA-N 0 3 318.461 3.178 20 10 DGCDHN COc1cc(O)c(CN[C@@H](C)c2cc(C)oc2C)cc1OC ZINC000181298398 1204336585 /nfs/dbraw/zinc/33/65/85/1204336585.db2.gz HYHCVAAFXJTRBL-NSHDSACASA-N 0 3 305.374 3.470 20 10 DGCDHN COc1cc(O)c(CN[C@H](C)c2cc(C)oc2C)cc1OC ZINC000181298376 1204336591 /nfs/dbraw/zinc/33/65/91/1204336591.db2.gz HYHCVAAFXJTRBL-LLVKDONJSA-N 0 3 305.374 3.470 20 10 DGCDHN CCOC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001169664604 1081623476 /nfs/dbraw/zinc/62/34/76/1081623476.db2.gz PWTKAFQTVORFHS-OAHLLOKOSA-N 0 3 320.433 3.110 20 10 DGCDHN CC(C)[C@@H](CC[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000693050488 1081837218 /nfs/dbraw/zinc/83/72/18/1081837218.db2.gz IFVWMOVJHGWWGO-OAHLLOKOSA-N 0 3 322.449 3.421 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCOCC2)c1[O-] ZINC001658605685 1082080680 /nfs/dbraw/zinc/08/06/80/1082080680.db2.gz OYJBHCRQZJWQCU-CYBMUJFWSA-N 0 3 314.223 3.122 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670230 1083072599 /nfs/dbraw/zinc/07/25/99/1083072599.db2.gz RDJBTICWNQLLEQ-CYBMUJFWSA-N 0 3 305.324 3.023 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCN1C1CCCCCC1 ZINC001183379861 1083941430 /nfs/dbraw/zinc/94/14/30/1083941430.db2.gz URDXGXZJFQKZPM-KRWDZBQOSA-N 0 3 306.425 3.418 20 10 DGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CN(C)C(C)C ZINC001142590634 1087373221 /nfs/dbraw/zinc/37/32/21/1087373221.db2.gz JUUCPSVKUODELM-SFHVURJKSA-N 0 3 318.461 3.089 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1[O-] ZINC001233110172 1087650480 /nfs/dbraw/zinc/65/04/80/1087650480.db2.gz XMJZWHWGIPFFPA-XDTLVQLUSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1[O-] ZINC001233110172 1087650481 /nfs/dbraw/zinc/65/04/81/1087650481.db2.gz XMJZWHWGIPFFPA-XDTLVQLUSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1O ZINC001233110172 1087650477 /nfs/dbraw/zinc/65/04/77/1087650477.db2.gz XMJZWHWGIPFFPA-XDTLVQLUSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H](N)C(C)(C)C ZINC001157434249 1089965564 /nfs/dbraw/zinc/96/55/64/1089965564.db2.gz OALXKYLHOZACPV-HOTGVXAUSA-N 0 3 318.461 3.122 20 10 DGCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272765421 1090561298 /nfs/dbraw/zinc/56/12/98/1090561298.db2.gz HXQZRBHYKAJIFV-USXIJHARSA-N 0 3 316.445 3.064 20 10 DGCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272765421 1090561301 /nfs/dbraw/zinc/56/13/01/1090561301.db2.gz HXQZRBHYKAJIFV-USXIJHARSA-N 0 3 316.445 3.064 20 10 DGCDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272766613 1090562900 /nfs/dbraw/zinc/56/29/00/1090562900.db2.gz RQMAAURQYXUNGK-IAGOWNOFSA-N 0 3 316.445 3.066 20 10 DGCDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272766613 1090562906 /nfs/dbraw/zinc/56/29/06/1090562906.db2.gz RQMAAURQYXUNGK-IAGOWNOFSA-N 0 3 316.445 3.066 20 10 DGCDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC001203551971 1090753922 /nfs/dbraw/zinc/75/39/22/1090753922.db2.gz VOXMSFBKQKCPDC-AEFFLSMTSA-N 0 3 311.381 3.128 20 10 DGCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC001203551971 1090753925 /nfs/dbraw/zinc/75/39/25/1090753925.db2.gz VOXMSFBKQKCPDC-AEFFLSMTSA-N 0 3 311.381 3.128 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001203552742 1090754195 /nfs/dbraw/zinc/75/41/95/1090754195.db2.gz RUCUVWXGQGPGRK-HHXXYDBFSA-N 0 3 301.430 3.419 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001203552742 1090754201 /nfs/dbraw/zinc/75/42/01/1090754201.db2.gz RUCUVWXGQGPGRK-HHXXYDBFSA-N 0 3 301.430 3.419 20 10 DGCDHN CC(C)c1noc([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203558732 1090755537 /nfs/dbraw/zinc/75/55/37/1090755537.db2.gz ZCLCVXFWPSGHSZ-AWEZNQCLSA-N 0 3 301.390 3.278 20 10 DGCDHN CC(C)c1noc([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203558732 1090755541 /nfs/dbraw/zinc/75/55/41/1090755541.db2.gz ZCLCVXFWPSGHSZ-AWEZNQCLSA-N 0 3 301.390 3.278 20 10 DGCDHN CCOC[C@H]1COCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556405 1090755868 /nfs/dbraw/zinc/75/58/68/1090755868.db2.gz OZOXYHFJXLKAAF-KRWDZBQOSA-N 0 3 319.445 3.047 20 10 DGCDHN CCOC[C@@H]1COCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556407 1090756050 /nfs/dbraw/zinc/75/60/50/1090756050.db2.gz OZOXYHFJXLKAAF-QGZVFWFLSA-N 0 3 319.445 3.047 20 10 DGCDHN CC1(C)[N@H+](Cc2ccccc2[O-])CC[C@@]12c1ccccc1OC2=O ZINC001203560905 1090757280 /nfs/dbraw/zinc/75/72/80/1090757280.db2.gz KGECHANOYHBXGN-FQEVSTJZSA-N 0 3 323.392 3.234 20 10 DGCDHN CC1(C)[N@@H+](Cc2ccccc2[O-])CC[C@@]12c1ccccc1OC2=O ZINC001203560905 1090757286 /nfs/dbraw/zinc/75/72/86/1090757286.db2.gz KGECHANOYHBXGN-FQEVSTJZSA-N 0 3 323.392 3.234 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001203630356 1090769415 /nfs/dbraw/zinc/76/94/15/1090769415.db2.gz QQCVACSWSKCTIP-QGZVFWFLSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001203630356 1090769419 /nfs/dbraw/zinc/76/94/19/1090769419.db2.gz QQCVACSWSKCTIP-QGZVFWFLSA-N 0 3 317.360 3.193 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@](CF)(C(F)(F)F)C2)cc1 ZINC001203929931 1090841829 /nfs/dbraw/zinc/84/18/29/1090841829.db2.gz JHLQIKUQXBKVTD-CQSZACIVSA-N 0 3 304.331 3.477 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2cnn(C)c2)c2ccccc21 ZINC001204232370 1090929202 /nfs/dbraw/zinc/92/92/02/1090929202.db2.gz BKRAMTQVNYRWIG-UHFFFAOYSA-N 0 3 308.429 3.271 20 10 DGCDHN COc1ccc(C2CC[NH+](Cc3ccc(O)cc3[O-])CC2)cc1 ZINC001204275062 1090938215 /nfs/dbraw/zinc/93/82/15/1090938215.db2.gz NAIIBZIWGNQGFE-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204277631 1090938351 /nfs/dbraw/zinc/93/83/51/1090938351.db2.gz HIPWGBXKEZSMQM-OAHLLOKOSA-N 0 3 313.397 3.486 20 10 DGCDHN COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)c1 ZINC001204277631 1090938354 /nfs/dbraw/zinc/93/83/54/1090938354.db2.gz HIPWGBXKEZSMQM-OAHLLOKOSA-N 0 3 313.397 3.486 20 10 DGCDHN Oc1ccc(CN2CC[C@H](Oc3cc(F)ccc3F)C2)c(O)c1 ZINC001204274678 1090938407 /nfs/dbraw/zinc/93/84/07/1090938407.db2.gz FPJFACKLYXILRK-AWEZNQCLSA-N 0 3 321.323 3.029 20 10 DGCDHN CN(Cc1cccnc1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336002 1091145599 /nfs/dbraw/zinc/14/55/99/1091145599.db2.gz GZPAJSPNPGCTAT-UHFFFAOYSA-N 0 3 323.440 3.118 20 10 DGCDHN C[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]1C[NH3+] ZINC001205314550 1091179864 /nfs/dbraw/zinc/17/98/64/1091179864.db2.gz BRPWNWKAFLBRRZ-KOLCDFICSA-N 0 3 303.233 3.116 20 10 DGCDHN COc1ccc2[nH]cc(C[N@@H+]3CCc4cccc([O-])c4C3)c2c1 ZINC001138509428 1091209270 /nfs/dbraw/zinc/20/92/70/1091209270.db2.gz CVCRSETZWADMGX-UHFFFAOYSA-N 0 3 308.381 3.440 20 10 DGCDHN COc1ccc2[nH]cc(C[N@H+]3CCc4cccc([O-])c4C3)c2c1 ZINC001138509428 1091209280 /nfs/dbraw/zinc/20/92/80/1091209280.db2.gz CVCRSETZWADMGX-UHFFFAOYSA-N 0 3 308.381 3.440 20 10 DGCDHN C[C@H]1[C@H](C[NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001205912748 1091407416 /nfs/dbraw/zinc/40/74/16/1091407416.db2.gz BYDKIBXPMFETHV-UWVGGRQHSA-N 0 3 303.233 3.258 20 10 DGCDHN C[C@H]1[C@@H](C[NH3+])CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001205916173 1091411406 /nfs/dbraw/zinc/41/14/06/1091411406.db2.gz SGYMDEUOKFJRHH-VHSXEESVSA-N 0 3 303.233 3.258 20 10 DGCDHN N[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001206237600 1091545784 /nfs/dbraw/zinc/54/57/84/1091545784.db2.gz KCZZRPQGXVODNY-OAHLLOKOSA-N 0 3 310.319 3.011 20 10 DGCDHN N[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001206237600 1091545788 /nfs/dbraw/zinc/54/57/88/1091545788.db2.gz KCZZRPQGXVODNY-OAHLLOKOSA-N 0 3 310.319 3.011 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057400 1091752310 /nfs/dbraw/zinc/75/23/10/1091752310.db2.gz FPVHCBWYCNZULS-KRWDZBQOSA-N 0 3 309.381 3.087 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057400 1091752318 /nfs/dbraw/zinc/75/23/18/1091752318.db2.gz FPVHCBWYCNZULS-KRWDZBQOSA-N 0 3 309.381 3.087 20 10 DGCDHN CCCc1noc([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140058489 1091752577 /nfs/dbraw/zinc/75/25/77/1091752577.db2.gz CPOGFZWEQKGDBD-LBPRGKRZSA-N 0 3 319.380 3.246 20 10 DGCDHN CCCc1noc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140058489 1091752588 /nfs/dbraw/zinc/75/25/88/1091752588.db2.gz CPOGFZWEQKGDBD-LBPRGKRZSA-N 0 3 319.380 3.246 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCc2cc(F)ccc2OC)c([O-])c1 ZINC001207554416 1092019221 /nfs/dbraw/zinc/01/92/21/1092019221.db2.gz VLYVWSMTWQNMMR-UHFFFAOYSA-N 0 3 319.376 3.189 20 10 DGCDHN CCN(CC)c1ccc(CN2CCCC(=O)[C@@H](C)C2)c(O)c1 ZINC001140850087 1092028347 /nfs/dbraw/zinc/02/83/47/1092028347.db2.gz CZCRVYYMOOLNBY-AWEZNQCLSA-N 0 3 304.434 3.039 20 10 DGCDHN CN(C)c1ccc(CN2CCC3(CCOC3)CC2)c(Cl)c1 ZINC001140921777 1092062671 /nfs/dbraw/zinc/06/26/71/1092062671.db2.gz PKRJFMRXKVCQCW-UHFFFAOYSA-N 0 3 308.853 3.409 20 10 DGCDHN Cc1ccc(C[N@H+](Cc2cccnc2)C2CCOCC2)c([O-])c1 ZINC001140949496 1092075788 /nfs/dbraw/zinc/07/57/88/1092075788.db2.gz BZRUGNNXSYGNOY-UHFFFAOYSA-N 0 3 312.413 3.277 20 10 DGCDHN Cc1ccc(C[N@@H+](Cc2cccnc2)C2CCOCC2)c([O-])c1 ZINC001140949496 1092075797 /nfs/dbraw/zinc/07/57/97/1092075797.db2.gz BZRUGNNXSYGNOY-UHFFFAOYSA-N 0 3 312.413 3.277 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001140954226 1092079035 /nfs/dbraw/zinc/07/90/35/1092079035.db2.gz NNXJOHPWADMSPU-QGZVFWFLSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001140954226 1092079044 /nfs/dbraw/zinc/07/90/44/1092079044.db2.gz NNXJOHPWADMSPU-QGZVFWFLSA-N 0 3 312.413 3.447 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c(OC)c1 ZINC001141031304 1092112991 /nfs/dbraw/zinc/11/29/91/1092112991.db2.gz CEXLGLPUNSKEGS-NSHDSACASA-N 0 3 315.360 3.277 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c(OC)c1 ZINC001141031304 1092112994 /nfs/dbraw/zinc/11/29/94/1092112994.db2.gz CEXLGLPUNSKEGS-NSHDSACASA-N 0 3 315.360 3.277 20 10 DGCDHN CN(Cc1ccncc1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075088 1092129943 /nfs/dbraw/zinc/12/99/43/1092129943.db2.gz YHVJGBGIARMYTA-UHFFFAOYSA-N 0 3 307.441 3.412 20 10 DGCDHN C[C@H]([NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001168819990 1092397427 /nfs/dbraw/zinc/39/74/27/1092397427.db2.gz XABWROMBTCSVEX-MELADBBJSA-N 0 3 320.433 3.441 20 10 DGCDHN C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001168871127 1092405843 /nfs/dbraw/zinc/40/58/43/1092405843.db2.gz GZGNTRLWAWAXRD-ZFWWWQNUSA-N 0 3 320.433 3.222 20 10 DGCDHN C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001168871127 1092405850 /nfs/dbraw/zinc/40/58/50/1092405850.db2.gz GZGNTRLWAWAXRD-ZFWWWQNUSA-N 0 3 320.433 3.222 20 10 DGCDHN CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001169448113 1092686871 /nfs/dbraw/zinc/68/68/71/1092686871.db2.gz HWYVDAVEEDEOKV-AWEZNQCLSA-N 0 3 314.429 3.282 20 10 DGCDHN CN(Cc1c2ccccc2nn1C)Cc1ccc(N(C)C)cc1 ZINC001209538984 1092815309 /nfs/dbraw/zinc/81/53/09/1092815309.db2.gz GQCMDJJKQQAJMT-UHFFFAOYSA-N 0 3 308.429 3.271 20 10 DGCDHN COc1ccc(C[N@H+](C)[C@H](C)Cc2ccccc2OC)c([O-])c1 ZINC000179950468 1093824470 /nfs/dbraw/zinc/82/44/70/1093824470.db2.gz KTELWYBTHRWHSV-CQSZACIVSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccc(C[N@@H+](C)[C@H](C)Cc2ccccc2OC)c([O-])c1 ZINC000179950468 1093824474 /nfs/dbraw/zinc/82/44/74/1093824474.db2.gz KTELWYBTHRWHSV-CQSZACIVSA-N 0 3 315.413 3.472 20 10 DGCDHN O=C1C=CC(=NNc2ccc(OC[C@H]3CNCCO3)cc2)C=C1 ZINC001218178552 1094644419 /nfs/dbraw/zinc/64/44/19/1094644419.db2.gz XWSPWYGKETYZMK-QGZVFWFLSA-N 0 3 313.357 3.175 20 10 DGCDHN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000697820966 1095052039 /nfs/dbraw/zinc/05/20/39/1095052039.db2.gz AIWLRTJRLQUKGS-OCCSQVGLSA-N 0 3 320.433 3.130 20 10 DGCDHN [O-]c1c(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc(F)c1F ZINC001222166704 1095471185 /nfs/dbraw/zinc/47/11/85/1095471185.db2.gz CHMPGMJWZIXOTQ-GOSISDBHSA-N 0 3 324.415 3.416 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@]3(CCCC[NH2+]3)C2)cc1Cl ZINC001222396593 1095593234 /nfs/dbraw/zinc/59/32/34/1095593234.db2.gz UCGRGGKECSOQRW-QGZVFWFLSA-N 0 3 308.853 3.462 20 10 DGCDHN Cc1cc(CN2CCc3nccn3CC2)c(C)n1-c1ccccc1 ZINC001137859099 1095769093 /nfs/dbraw/zinc/76/90/93/1095769093.db2.gz IQHQCDUPGNFQOY-UHFFFAOYSA-N 0 3 320.440 3.349 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)C1CCCCC1 ZINC001118270209 1095971747 /nfs/dbraw/zinc/97/17/47/1095971747.db2.gz YISPOWWEDPYOIY-SFHVURJKSA-N 0 3 317.477 3.009 20 10 DGCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)C1CC1 ZINC001231589817 1097785633 /nfs/dbraw/zinc/78/56/33/1097785633.db2.gz RTGMNUMOFQMQEN-MRXNPFEDSA-N 0 3 324.424 3.036 20 10 DGCDHN O=C(N[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1)C1CC1 ZINC001231589817 1097785635 /nfs/dbraw/zinc/78/56/35/1097785635.db2.gz RTGMNUMOFQMQEN-MRXNPFEDSA-N 0 3 324.424 3.036 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001231590922 1097786891 /nfs/dbraw/zinc/78/68/91/1097786891.db2.gz QCTJWUOFCLBPNZ-AWEZNQCLSA-N 0 3 318.367 3.071 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001231590922 1097786894 /nfs/dbraw/zinc/78/68/94/1097786894.db2.gz QCTJWUOFCLBPNZ-AWEZNQCLSA-N 0 3 318.367 3.071 20 10 DGCDHN COc1cc(N(C)C)ccc1CN(C)Cc1ccccc1O ZINC001231855414 1097866630 /nfs/dbraw/zinc/86/66/30/1097866630.db2.gz SBWJHSUQONKWME-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccccc1[O-] ZINC001231855414 1097866636 /nfs/dbraw/zinc/86/66/36/1097866636.db2.gz SBWJHSUQONKWME-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC001231855414 1097866640 /nfs/dbraw/zinc/86/66/40/1097866640.db2.gz SBWJHSUQONKWME-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC001231870746 1097871988 /nfs/dbraw/zinc/87/19/88/1097871988.db2.gz RKHHXFOIKQLTFQ-OAHLLOKOSA-N 0 3 308.853 3.414 20 10 DGCDHN CC(C)[N@@H+](CCCCCO)Cc1cc(Cl)c([O-])cc1O ZINC001232263078 1097985535 /nfs/dbraw/zinc/98/55/35/1097985535.db2.gz FOHUCKQNBZVXFF-UHFFFAOYSA-N 0 3 301.814 3.124 20 10 DGCDHN CC(C)[N@H+](CCCCCO)Cc1cc(Cl)c([O-])cc1O ZINC001232263078 1097985529 /nfs/dbraw/zinc/98/55/29/1097985529.db2.gz FOHUCKQNBZVXFF-UHFFFAOYSA-N 0 3 301.814 3.124 20 10 DGCDHN CC(C)[N@H+](Cc1cc(Cl)c(O)cc1[O-])C1CCN(C)CC1 ZINC001232266470 1097986140 /nfs/dbraw/zinc/98/61/40/1097986140.db2.gz UHLCGGOTMCZNEA-UHFFFAOYSA-N 0 3 312.841 3.056 20 10 DGCDHN CC(C)[N@@H+](Cc1cc(Cl)c(O)cc1[O-])C1CCN(C)CC1 ZINC001232266470 1097986141 /nfs/dbraw/zinc/98/61/41/1097986141.db2.gz UHLCGGOTMCZNEA-UHFFFAOYSA-N 0 3 312.841 3.056 20 10 DGCDHN COC(=O)c1c(CN2CCC3(CC3)CC2)c2ccccc2n1C ZINC001232402208 1098029184 /nfs/dbraw/zinc/02/91/84/1098029184.db2.gz IWZZHOZHRXFGID-UHFFFAOYSA-N 0 3 312.413 3.341 20 10 DGCDHN COC(=O)c1c(CN2CC3CCC2CC3)c2ccccc2n1C ZINC001232405113 1098030328 /nfs/dbraw/zinc/03/03/28/1098030328.db2.gz FVUKYTQUQJSUCV-UHFFFAOYSA-N 0 3 312.413 3.339 20 10 DGCDHN C[C@@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC001175419873 1098040138 /nfs/dbraw/zinc/04/01/38/1098040138.db2.gz YYBYMOYZNGQZSO-CYBMUJFWSA-N 0 3 309.369 3.336 20 10 DGCDHN CN(CCc1cccc(Cl)c1)Cc1cc(O)c(O)c(O)c1 ZINC001233013742 1098204162 /nfs/dbraw/zinc/20/41/62/1098204162.db2.gz SXIIEMLINPPXNU-UHFFFAOYSA-N 0 3 307.777 3.131 20 10 DGCDHN CCOC(=O)c1c(CN(CC)C2CC2)c2ccccc2n1C ZINC001233270322 1098270082 /nfs/dbraw/zinc/27/00/82/1098270082.db2.gz JGCIGMPBNDVIGL-UHFFFAOYSA-N 0 3 300.402 3.339 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@]3(C2)CCCCO3)c1O ZINC001233287808 1098278386 /nfs/dbraw/zinc/27/83/86/1098278386.db2.gz IENBAGGTZCFYGK-INIZCTEOSA-N 0 3 311.809 3.199 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c1[O-] ZINC001233287808 1098278389 /nfs/dbraw/zinc/27/83/89/1098278389.db2.gz IENBAGGTZCFYGK-INIZCTEOSA-N 0 3 311.809 3.199 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCCO3)c1[O-] ZINC001233287808 1098278393 /nfs/dbraw/zinc/27/83/93/1098278393.db2.gz IENBAGGTZCFYGK-INIZCTEOSA-N 0 3 311.809 3.199 20 10 DGCDHN CO[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@H](C)C1 ZINC001233776172 1098429165 /nfs/dbraw/zinc/42/91/65/1098429165.db2.gz MCGAKZNYWLHKQB-ZYHUDNBSSA-N 0 3 319.323 3.290 20 10 DGCDHN CO[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@H](C)C1 ZINC001233776172 1098429167 /nfs/dbraw/zinc/42/91/67/1098429167.db2.gz MCGAKZNYWLHKQB-ZYHUDNBSSA-N 0 3 319.323 3.290 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCC(=O)[C@H](C)CC3)c2c1 ZINC001234526269 1098580386 /nfs/dbraw/zinc/58/03/86/1098580386.db2.gz SEOIOHMAZYMGLT-CYBMUJFWSA-N 0 3 313.397 3.355 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC(=O)[C@H](C)CC3)c2c1 ZINC001234526269 1098580398 /nfs/dbraw/zinc/58/03/98/1098580398.db2.gz SEOIOHMAZYMGLT-CYBMUJFWSA-N 0 3 313.397 3.355 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC(=O)[C@H](C)CC3)c2c1 ZINC001234526269 1098580409 /nfs/dbraw/zinc/58/04/09/1098580409.db2.gz SEOIOHMAZYMGLT-CYBMUJFWSA-N 0 3 313.397 3.355 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@H]3C(C)C)c2c1 ZINC001234561869 1098600742 /nfs/dbraw/zinc/60/07/42/1098600742.db2.gz DQQVFXNUUHPXPH-SFHVURJKSA-N 0 3 315.413 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@H]3C(C)C)c2c1 ZINC001234561869 1098600746 /nfs/dbraw/zinc/60/07/46/1098600746.db2.gz DQQVFXNUUHPXPH-SFHVURJKSA-N 0 3 315.413 3.411 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H](C)Cc3ccco3)cc2)CC1 ZINC001234662033 1098636898 /nfs/dbraw/zinc/63/68/98/1098636898.db2.gz YLENXPKIKSVJGQ-INIZCTEOSA-N 0 3 314.429 3.432 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[NH2+]CC23CC3)cc1Cl ZINC001234978834 1098732485 /nfs/dbraw/zinc/73/24/85/1098732485.db2.gz LRGHQXDDROCRML-UHFFFAOYSA-N 0 3 308.853 3.281 20 10 DGCDHN CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234993499 1098738420 /nfs/dbraw/zinc/73/84/20/1098738420.db2.gz DEEQAVDWXFIIFM-GOSISDBHSA-N 0 3 324.424 3.160 20 10 DGCDHN CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234993499 1098738426 /nfs/dbraw/zinc/73/84/26/1098738426.db2.gz DEEQAVDWXFIIFM-GOSISDBHSA-N 0 3 324.424 3.160 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@@H]1C ZINC001235679562 1099122356 /nfs/dbraw/zinc/12/23/56/1099122356.db2.gz POOYWJJWXYPLHL-CJNGLKHVSA-N 0 3 319.445 3.463 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@@H]1C ZINC001235679562 1099122360 /nfs/dbraw/zinc/12/23/60/1099122360.db2.gz POOYWJJWXYPLHL-CJNGLKHVSA-N 0 3 319.445 3.463 20 10 DGCDHN CC(C)(C)c1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c([O-])c1 ZINC001235679586 1099122957 /nfs/dbraw/zinc/12/29/57/1099122957.db2.gz PWENBPGZXXVDRY-UHFFFAOYSA-N 0 3 320.452 3.308 20 10 DGCDHN CC[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1CCNCC1 ZINC001235765285 1099170845 /nfs/dbraw/zinc/17/08/45/1099170845.db2.gz YFZPHEJHRUIDHC-UHFFFAOYSA-N 0 3 303.233 3.273 20 10 DGCDHN CC[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1CCNCC1 ZINC001235765285 1099170852 /nfs/dbraw/zinc/17/08/52/1099170852.db2.gz YFZPHEJHRUIDHC-UHFFFAOYSA-N 0 3 303.233 3.273 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235850079 1099211372 /nfs/dbraw/zinc/21/13/72/1099211372.db2.gz QRILLPZUBOGREX-HNNXBMFYSA-N 0 3 316.832 3.062 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)CCN(C)c2ccccc2)c([O-])c1 ZINC001180262078 1099362635 /nfs/dbraw/zinc/36/26/35/1099362635.db2.gz IKVCXTGHSDNFIJ-UHFFFAOYSA-N 0 3 314.429 3.277 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)CCN(C)c2ccccc2)c([O-])c1 ZINC001180262078 1099362645 /nfs/dbraw/zinc/36/26/45/1099362645.db2.gz IKVCXTGHSDNFIJ-UHFFFAOYSA-N 0 3 314.429 3.277 20 10 DGCDHN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@H]1CCCC[C@@H]1N ZINC001236214083 1099469752 /nfs/dbraw/zinc/46/97/52/1099469752.db2.gz DXIFZAYVWGMKOW-STQMWFEESA-N 0 3 302.340 3.113 20 10 DGCDHN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@H]1CCCC[C@@H]1N ZINC001236214083 1099469760 /nfs/dbraw/zinc/46/97/60/1099469760.db2.gz DXIFZAYVWGMKOW-STQMWFEESA-N 0 3 302.340 3.113 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c([O-])c1 ZINC001180635190 1099480395 /nfs/dbraw/zinc/48/03/95/1099480395.db2.gz WYGXQDZWSGYCQM-DLBZAZTESA-N 0 3 307.434 3.391 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001204279115 1099499592 /nfs/dbraw/zinc/49/95/92/1099499592.db2.gz RAHGYUAXHXIZCR-INIZCTEOSA-N 0 3 316.426 3.250 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001204279115 1099499598 /nfs/dbraw/zinc/49/95/98/1099499598.db2.gz RAHGYUAXHXIZCR-INIZCTEOSA-N 0 3 316.426 3.250 20 10 DGCDHN [O-]c1ccc(F)c(F)c1CN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375358 1099563079 /nfs/dbraw/zinc/56/30/79/1099563079.db2.gz KPEIDLXGRHEMFU-ZDUSSCGKSA-N 0 3 324.415 3.415 20 10 DGCDHN CC(C)C[N@H+](Cc1cc(F)cc(Cl)c1[O-])[C@@H]1CCCNC1 ZINC001236479097 1099636925 /nfs/dbraw/zinc/63/69/25/1099636925.db2.gz PJLJVVPIYJQWMR-CQSZACIVSA-N 0 3 314.832 3.395 20 10 DGCDHN CC(C)C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])[C@@H]1CCCNC1 ZINC001236479097 1099636929 /nfs/dbraw/zinc/63/69/29/1099636929.db2.gz PJLJVVPIYJQWMR-CQSZACIVSA-N 0 3 314.832 3.395 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c([O-])c1 ZINC001236782861 1099780068 /nfs/dbraw/zinc/78/00/68/1099780068.db2.gz GEZKVDZCPHFQNI-UHFFFAOYSA-N 0 3 311.429 3.062 20 10 DGCDHN CCc1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)c([O-])c1 ZINC001236782861 1099780075 /nfs/dbraw/zinc/78/00/75/1099780075.db2.gz GEZKVDZCPHFQNI-UHFFFAOYSA-N 0 3 311.429 3.062 20 10 DGCDHN CCc1ccc(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236783121 1099781072 /nfs/dbraw/zinc/78/10/72/1099781072.db2.gz IFXNKKZNGWUUFI-OAHLLOKOSA-N 0 3 321.417 3.481 20 10 DGCDHN CCc1ccc(CN2CCc3cc4c(cc3C2)OCO4)c(O)c1 ZINC001236784772 1099782428 /nfs/dbraw/zinc/78/24/28/1099782428.db2.gz ZZTULPZBEMGLEG-UHFFFAOYSA-N 0 3 311.381 3.242 20 10 DGCDHN CCC(=O)N(CC)C1CC[NH+](Cc2ccc(CC)cc2[O-])CC1 ZINC001236787207 1099785773 /nfs/dbraw/zinc/78/57/73/1099785773.db2.gz HIOVCGHOGIIPKW-UHFFFAOYSA-N 0 3 318.461 3.178 20 10 DGCDHN CCc1nc(C2CC[NH+](Cc3ccc(CC)cc3[O-])CC2)no1 ZINC001236791060 1099786788 /nfs/dbraw/zinc/78/67/88/1099786788.db2.gz FATXFPKVJWPOSP-UHFFFAOYSA-N 0 3 315.417 3.280 20 10 DGCDHN CCc1nnc(C2CC[NH+](Cc3ccc(CC)cc3[O-])CC2)o1 ZINC001236793508 1099787183 /nfs/dbraw/zinc/78/71/83/1099787183.db2.gz XGRMDYNEJIYEBZ-UHFFFAOYSA-N 0 3 315.417 3.280 20 10 DGCDHN C[NH+](C)CC1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236797640 1099789700 /nfs/dbraw/zinc/78/97/00/1099789700.db2.gz ZTSLQFWXWIEEII-UHFFFAOYSA-N 0 3 317.260 3.473 20 10 DGCDHN CC(C)c1ccc(CN2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001237044853 1099942022 /nfs/dbraw/zinc/94/20/22/1099942022.db2.gz DZUYMBQPQCSLRQ-CQSZACIVSA-N 0 3 303.324 3.015 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])[C@H]1C ZINC001237048415 1099942562 /nfs/dbraw/zinc/94/25/62/1099942562.db2.gz FWPFDBONMOTUCS-BBRMVZONSA-N 0 3 305.418 3.289 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])[C@H]1C ZINC001237048415 1099942570 /nfs/dbraw/zinc/94/25/70/1099942570.db2.gz FWPFDBONMOTUCS-BBRMVZONSA-N 0 3 305.418 3.289 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CCc2ccc(OC)cc2)c([O-])c1 ZINC001237044972 1099942816 /nfs/dbraw/zinc/94/28/16/1099942816.db2.gz WBOUSGJIEMXZDH-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CCc2ccc(OC)cc2)c([O-])c1 ZINC001237044972 1099942820 /nfs/dbraw/zinc/94/28/20/1099942820.db2.gz WBOUSGJIEMXZDH-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C(C)C ZINC001237055663 1099946880 /nfs/dbraw/zinc/94/68/80/1099946880.db2.gz IBEWQJPEIJIUNI-UHFFFAOYSA-N 0 3 321.339 3.190 20 10 DGCDHN COCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C(C)C ZINC001237055663 1099946890 /nfs/dbraw/zinc/94/68/90/1099946890.db2.gz IBEWQJPEIJIUNI-UHFFFAOYSA-N 0 3 321.339 3.190 20 10 DGCDHN CCCNC(=O)[C@H]1CCCCN1Cc1ccc(C(C)C)cc1O ZINC001237054473 1099947487 /nfs/dbraw/zinc/94/74/87/1099947487.db2.gz ZFAPAASIRXWTAW-QGZVFWFLSA-N 0 3 318.461 3.396 20 10 DGCDHN CCOC(=O)C1(F)CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054287 1099947768 /nfs/dbraw/zinc/94/77/68/1099947768.db2.gz UUDKAQYQNMVPRA-UHFFFAOYSA-N 0 3 323.408 3.383 20 10 DGCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CCC[C@@H]1CF ZINC001237063559 1099952469 /nfs/dbraw/zinc/95/24/69/1099952469.db2.gz UCUGLLALWZJPHT-LLVKDONJSA-N 0 3 307.287 3.267 20 10 DGCDHN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237113694 1099978211 /nfs/dbraw/zinc/97/82/11/1099978211.db2.gz BYTVCSUOFPGFKD-ZDUSSCGKSA-N 0 3 319.323 3.026 20 10 DGCDHN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237113694 1099978223 /nfs/dbraw/zinc/97/82/23/1099978223.db2.gz BYTVCSUOFPGFKD-ZDUSSCGKSA-N 0 3 319.323 3.026 20 10 DGCDHN C[C@@]1(O)CCCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237120247 1099982216 /nfs/dbraw/zinc/98/22/16/1099982216.db2.gz OSEFMINLJFQJGC-CQSZACIVSA-N 0 3 319.323 3.028 20 10 DGCDHN C[C@@]1(O)CCCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237120247 1099982223 /nfs/dbraw/zinc/98/22/23/1099982223.db2.gz OSEFMINLJFQJGC-CQSZACIVSA-N 0 3 319.323 3.028 20 10 DGCDHN CO[C@@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)[C@H](C)C1 ZINC001237126449 1099983816 /nfs/dbraw/zinc/98/38/16/1099983816.db2.gz YFSITRYJOCMLNV-GHMZBOCLSA-N 0 3 319.323 3.290 20 10 DGCDHN COc1cc([O-])c(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001237155679 1100005115 /nfs/dbraw/zinc/00/51/15/1100005115.db2.gz KIYMXHCOUZTZMX-CQSZACIVSA-N 0 3 324.852 3.161 20 10 DGCDHN Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237494194 1100145523 /nfs/dbraw/zinc/14/55/23/1100145523.db2.gz GDKQSENISZQZHA-MRXNPFEDSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237494194 1100145526 /nfs/dbraw/zinc/14/55/26/1100145526.db2.gz GDKQSENISZQZHA-MRXNPFEDSA-N 0 3 312.413 3.447 20 10 DGCDHN CO[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237642053 1100199594 /nfs/dbraw/zinc/19/95/94/1100199594.db2.gz XUJOPZYLCZSGBU-QGZVFWFLSA-N 0 3 301.361 3.419 20 10 DGCDHN CO[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237642053 1100199598 /nfs/dbraw/zinc/19/95/98/1100199598.db2.gz XUJOPZYLCZSGBU-QGZVFWFLSA-N 0 3 301.361 3.419 20 10 DGCDHN C[C@]1(O)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640450 1100200156 /nfs/dbraw/zinc/20/01/56/1100200156.db2.gz BOKGUYSPMWFXLC-SFHVURJKSA-N 0 3 301.361 3.155 20 10 DGCDHN C[C@]1(O)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640450 1100200159 /nfs/dbraw/zinc/20/01/59/1100200159.db2.gz BOKGUYSPMWFXLC-SFHVURJKSA-N 0 3 301.361 3.155 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCC(CO)CC1 ZINC001237645326 1100202120 /nfs/dbraw/zinc/20/21/20/1100202120.db2.gz KLARXIGDFZZXSZ-UHFFFAOYSA-N 0 3 315.388 3.403 20 10 DGCDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237686250 1100214961 /nfs/dbraw/zinc/21/49/61/1100214961.db2.gz JIGHCNGVWROPRA-MRXNPFEDSA-N 0 3 311.809 3.129 20 10 DGCDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237686250 1100214966 /nfs/dbraw/zinc/21/49/66/1100214966.db2.gz JIGHCNGVWROPRA-MRXNPFEDSA-N 0 3 311.809 3.129 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1Br ZINC001237683334 1100215305 /nfs/dbraw/zinc/21/53/05/1100215305.db2.gz YJXBMFVPARNWLM-CNDDSTCGSA-N 0 3 314.198 3.110 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1Br ZINC001237683334 1100215308 /nfs/dbraw/zinc/21/53/08/1100215308.db2.gz YJXBMFVPARNWLM-CNDDSTCGSA-N 0 3 314.198 3.110 20 10 DGCDHN Cc1cc(F)cc(CN2CCN(C)C[C@H]2c2ccccc2)c1O ZINC001238059054 1100345314 /nfs/dbraw/zinc/34/53/14/1100345314.db2.gz ZIJKVKSNQAOAKL-SFHVURJKSA-N 0 3 314.404 3.328 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2[O-])C[C@@H]1C ZINC001238067559 1100348884 /nfs/dbraw/zinc/34/88/84/1100348884.db2.gz UVKXOOZWYXPPST-UONOGXRCSA-N 0 3 323.408 3.251 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(F)cc(C)c2[O-])C[C@@H]1C ZINC001238067559 1100348894 /nfs/dbraw/zinc/34/88/94/1100348894.db2.gz UVKXOOZWYXPPST-UONOGXRCSA-N 0 3 323.408 3.251 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)C2CCCCC2)cc1 ZINC001326371975 1103293386 /nfs/dbraw/zinc/29/33/86/1103293386.db2.gz UQJYTLHIEJJDNP-SFHVURJKSA-N 0 3 317.477 3.057 20 10 DGCDHN Cc1cc([O-])c(CN2CC3(C2)C[NH+](C2CCCC2)C3)cc1Cl ZINC001276372522 1103689082 /nfs/dbraw/zinc/68/90/82/1103689082.db2.gz WMDLWHPWYZOLLI-UHFFFAOYSA-N 0 3 320.864 3.414 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@@]2(C)CCO[C@@H]2C2CC2)cc1F ZINC001328688198 1104021538 /nfs/dbraw/zinc/02/15/38/1104021538.db2.gz HCYYAZGYSLFSSI-SJORKVTESA-N 0 3 310.388 3.078 20 10 DGCDHN Cc1cc(C2=CC[C@H](N3CCOCC3)CC2)ccc1N(C)C ZINC001245428835 1104049621 /nfs/dbraw/zinc/04/96/21/1104049621.db2.gz RPTFHKQCVFFTIX-SFHVURJKSA-N 0 3 300.446 3.329 20 10 DGCDHN CN1CCC([N@H+](C)Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249224384 1105249689 /nfs/dbraw/zinc/24/96/89/1105249689.db2.gz YDMOKLLJVALBDF-UHFFFAOYSA-N 0 3 316.445 3.102 20 10 DGCDHN CN1CCC([N@@H+](C)Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249224384 1105249692 /nfs/dbraw/zinc/24/96/92/1105249692.db2.gz YDMOKLLJVALBDF-UHFFFAOYSA-N 0 3 316.445 3.102 20 10 DGCDHN CCO[C@@H]1CCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001250134301 1105451029 /nfs/dbraw/zinc/45/10/29/1105451029.db2.gz YWQNCIZVLMJNRN-GFCCVEGCSA-N 0 3 314.223 3.074 20 10 DGCDHN CCOC(=O)C1CCC([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001255253795 1106211013 /nfs/dbraw/zinc/21/10/13/1106211013.db2.gz WGLVTDDQLDBCLE-UHFFFAOYSA-N 0 3 305.418 3.221 20 10 DGCDHN CCOC(=O)c1ccc(C[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC001257147391 1106544692 /nfs/dbraw/zinc/54/46/92/1106544692.db2.gz UOCTYJIKXMMCAR-AWEZNQCLSA-N 0 3 313.397 3.290 20 10 DGCDHN CCOC(=O)CC1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001258037577 1106662994 /nfs/dbraw/zinc/66/29/94/1106662994.db2.gz SRYQTDYEDAIIOI-UHFFFAOYSA-N 0 3 317.429 3.262 20 10 DGCDHN CCOC(=O)CC1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001258037577 1106662999 /nfs/dbraw/zinc/66/29/99/1106662999.db2.gz SRYQTDYEDAIIOI-UHFFFAOYSA-N 0 3 317.429 3.262 20 10 DGCDHN COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001258390076 1106726956 /nfs/dbraw/zinc/72/69/56/1106726956.db2.gz GZGFAIVCNBIUPN-ZDUSSCGKSA-N 0 3 301.386 3.217 20 10 DGCDHN Cn1cc(-c2ccc(C[N@H+](C)Cc3ccccc3[O-])cc2)cn1 ZINC001321028415 1107227734 /nfs/dbraw/zinc/22/77/34/1107227734.db2.gz CPLSTMYYACQNLL-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN Cn1cc(-c2ccc(C[N@@H+](C)Cc3ccccc3[O-])cc2)cn1 ZINC001321028415 1107227740 /nfs/dbraw/zinc/22/77/40/1107227740.db2.gz CPLSTMYYACQNLL-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN CCCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001321386462 1107337741 /nfs/dbraw/zinc/33/77/41/1107337741.db2.gz DYJWLKSEKAMYDH-MAUKXSAKSA-N 0 3 317.477 3.194 20 10 DGCDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090076 1111165873 /nfs/dbraw/zinc/16/58/73/1111165873.db2.gz XILKWSJLWZRTEL-KBPBESRZSA-N 0 3 312.413 3.034 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@H]1Cc2ccccc2NC1=O ZINC001308489079 1111434225 /nfs/dbraw/zinc/43/42/25/1111434225.db2.gz VFYALNMVZLLKFF-KRWDZBQOSA-N 0 3 319.408 3.140 20 10 DGCDHN CC[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000166606754 432062003 /nfs/dbraw/zinc/06/20/03/432062003.db2.gz DCUIXZLUPVLNKX-AABGKKOBSA-N 0 3 310.441 3.452 20 10 DGCDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccccc1O ZINC000179585147 432064120 /nfs/dbraw/zinc/06/41/20/432064120.db2.gz PISXLGGYPIOIFG-ASSNKEHSSA-N 0 3 303.427 3.323 20 10 DGCDHN COCCOc1ccccc1CN(C)Cc1ccccc1O ZINC000091974555 193134746 /nfs/dbraw/zinc/13/47/46/193134746.db2.gz KVMDVUMQEXAUOE-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN CCOCc1cc(CN[C@@H]2CCCc3cn[nH]c32)ccc1OC ZINC000268878669 432146857 /nfs/dbraw/zinc/14/68/57/432146857.db2.gz XEGSVAISUDZUFL-MRXNPFEDSA-N 0 3 315.417 3.122 20 10 DGCDHN COC[C@@H](CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000272629787 285222348 /nfs/dbraw/zinc/22/23/48/285222348.db2.gz AONVOYZAEZIICG-GDBMZVCRSA-N 0 3 324.440 3.128 20 10 DGCDHN COC[C@H](CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000272629790 285377536 /nfs/dbraw/zinc/37/75/36/285377536.db2.gz AONVOYZAEZIICG-HOCLYGCPSA-N 0 3 324.440 3.128 20 10 DGCDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000272483885 130034131 /nfs/dbraw/zinc/03/41/31/130034131.db2.gz RZBIORLNMYCTQL-LJQANCHMSA-N 0 3 317.477 3.057 20 10 DGCDHN COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2)c1 ZINC000272831024 130067500 /nfs/dbraw/zinc/06/75/00/130067500.db2.gz HXJTUFCFCCSTLC-CABCVRRESA-N 0 3 312.413 3.330 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccccc1[O-] ZINC000272872662 130071214 /nfs/dbraw/zinc/07/12/14/130071214.db2.gz PALOAFCBKDSXPS-CYBMUJFWSA-N 0 3 310.397 3.135 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000273343748 130108985 /nfs/dbraw/zinc/10/89/85/130108985.db2.gz AFIGOOHEDGDIKT-GHMZBOCLSA-N 0 3 304.394 3.054 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCn2cnc3ccccc32)c1 ZINC000273396617 130115716 /nfs/dbraw/zinc/11/57/16/130115716.db2.gz MBWJYPXMAIDUQZ-ZDUSSCGKSA-N 0 3 311.385 3.101 20 10 DGCDHN CNC(=O)c1cccc(CN[C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273402631 130117080 /nfs/dbraw/zinc/11/70/80/130117080.db2.gz NPJHZYGISDTXMG-AWEZNQCLSA-N 0 3 312.413 3.219 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(F)ccc1[O-] ZINC000273418551 130118411 /nfs/dbraw/zinc/11/84/11/130118411.db2.gz IYWMACVZZCKONG-CZUORRHYSA-N 0 3 303.377 3.176 20 10 DGCDHN COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000273412825 130118686 /nfs/dbraw/zinc/11/86/86/130118686.db2.gz QDWXNNBCTVRHFZ-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c([O-])c1C ZINC000273488123 130128040 /nfs/dbraw/zinc/12/80/40/130128040.db2.gz NRBHQSBHDFAASF-CABCVRRESA-N 0 3 305.418 3.345 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c1 ZINC000273532156 130134197 /nfs/dbraw/zinc/13/41/97/130134197.db2.gz WRCNNJVJHYBCMN-KBPBESRZSA-N 0 3 307.434 3.240 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000273607978 130143044 /nfs/dbraw/zinc/14/30/44/130143044.db2.gz UWYFWZQTJJMDPG-CYBMUJFWSA-N 0 3 304.434 3.068 20 10 DGCDHN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273617220 130145479 /nfs/dbraw/zinc/14/54/79/130145479.db2.gz XRINLYZMHAMTPS-KBXCAEBGSA-N 0 3 315.413 3.402 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC(C)(C)O)c1[O-] ZINC000275289365 130302056 /nfs/dbraw/zinc/30/20/56/130302056.db2.gz GCKVGDFTMHMSQC-JTQLQIEISA-N 0 3 316.239 3.275 20 10 DGCDHN COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000284241361 131062255 /nfs/dbraw/zinc/06/22/55/131062255.db2.gz FCOVWOLSLLVQHB-RDTXWAMCSA-N 0 3 314.429 3.354 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCOC2CCOCC2)c([O-])c1 ZINC000284946512 131125927 /nfs/dbraw/zinc/12/59/27/131125927.db2.gz DZBACFUZWBLCJN-HNNXBMFYSA-N 0 3 307.434 3.245 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285533675 131178686 /nfs/dbraw/zinc/17/86/86/131178686.db2.gz LBQIBDPARJMBSY-OAHLLOKOSA-N 0 3 316.367 3.032 20 10 DGCDHN Cc1cccc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1[O-] ZINC000289266564 131370564 /nfs/dbraw/zinc/37/05/64/131370564.db2.gz FZOLNAFKNMFBKN-UHFFFAOYSA-N 0 3 323.396 3.425 20 10 DGCDHN Cc1cccc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1[O-] ZINC000289266564 131370566 /nfs/dbraw/zinc/37/05/66/131370566.db2.gz FZOLNAFKNMFBKN-UHFFFAOYSA-N 0 3 323.396 3.425 20 10 DGCDHN C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000282317600 287019580 /nfs/dbraw/zinc/01/95/80/287019580.db2.gz NJCQEUYCYHJJKO-QRQCRPRQSA-N 0 3 320.502 3.239 20 10 DGCDHN COC[C@H](CCO)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000269011027 432151036 /nfs/dbraw/zinc/15/10/36/432151036.db2.gz MSUJEINPFGLYLH-AEFFLSMTSA-N 0 3 320.477 3.115 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1OC ZINC000274325324 228700017 /nfs/dbraw/zinc/70/00/17/228700017.db2.gz DQZOZBWFXOQXLW-IAGOWNOFSA-N 0 3 323.433 3.091 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1cnn2ccccc12 ZINC000355131804 229304748 /nfs/dbraw/zinc/30/47/48/229304748.db2.gz MIKVBQHVYKKAGT-UHFFFAOYSA-N 0 3 304.397 3.424 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCN(c3ccccc3F)C1)CC2 ZINC000297388444 275061739 /nfs/dbraw/zinc/06/17/39/275061739.db2.gz RPBTXZFQGYAODD-GOEBONIOSA-N 0 3 312.388 3.387 20 10 DGCDHN CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000295883032 276866038 /nfs/dbraw/zinc/86/60/38/276866038.db2.gz HUWAXRVTNDZLGR-IAGOWNOFSA-N 0 3 314.404 3.411 20 10 DGCDHN CN(C)c1ccc(CN[C@]2(C)CCOC2)c(C(F)(F)F)c1 ZINC000280391232 276884053 /nfs/dbraw/zinc/88/40/53/276884053.db2.gz VAJZUPYYWGBTQC-CQSZACIVSA-N 0 3 302.340 3.040 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000074372363 431415347 /nfs/dbraw/zinc/41/53/47/431415347.db2.gz PDZSBTTYWVNEOX-UHFFFAOYSA-N 0 3 301.361 3.327 20 10 DGCDHN Cc1cc([O-])c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1C ZINC000083630492 431810229 /nfs/dbraw/zinc/81/02/29/431810229.db2.gz MQJOCVKEKAKREK-SFHVURJKSA-N 0 3 319.445 3.169 20 10 DGCDHN COCc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000121418710 431784593 /nfs/dbraw/zinc/78/45/93/431784593.db2.gz GOYOVSPSAXQIGJ-CYBMUJFWSA-N 0 3 301.386 3.398 20 10 DGCDHN Cn1cccc1[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000093845537 431918992 /nfs/dbraw/zinc/91/89/92/431918992.db2.gz MRGMPDORPBHZSV-OAHLLOKOSA-N 0 3 314.385 3.187 20 10 DGCDHN c1cc(N2CCCCC2)ccc1CN1CCC2(CC1)OCCO2 ZINC000126062988 431940875 /nfs/dbraw/zinc/94/08/75/431940875.db2.gz HLRBFNSBKNFXMR-UHFFFAOYSA-N 0 3 316.445 3.016 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)c([O-])c1 ZINC000271027994 432317765 /nfs/dbraw/zinc/31/77/65/432317765.db2.gz FDVRXOSPPRKWDW-UHFFFAOYSA-N 0 3 320.477 3.486 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)c([O-])c1 ZINC000271027994 432317767 /nfs/dbraw/zinc/31/77/67/432317767.db2.gz FDVRXOSPPRKWDW-UHFFFAOYSA-N 0 3 320.477 3.486 20 10 DGCDHN CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183595254 432306974 /nfs/dbraw/zinc/30/69/74/432306974.db2.gz OYEZOQKHTNZFOH-ZDUSSCGKSA-N 0 3 314.385 3.080 20 10 DGCDHN C[C@](O)(C[NH2+]Cc1cc(F)ccc1[O-])c1cccc(Cl)c1 ZINC000184961922 432448830 /nfs/dbraw/zinc/44/88/30/432448830.db2.gz SAEMNYIZVQCGAT-INIZCTEOSA-N 0 3 309.768 3.182 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(F)ccc1[O-] ZINC000184973696 432450531 /nfs/dbraw/zinc/45/05/31/432450531.db2.gz FBZVCIVSFVHPIN-CYBMUJFWSA-N 0 3 315.392 3.377 20 10 DGCDHN COCCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185012657 432456152 /nfs/dbraw/zinc/45/61/52/432456152.db2.gz YGEJTIZMTNTZBM-CYBMUJFWSA-N 0 3 319.376 3.407 20 10 DGCDHN CCC1(CO)CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184697678 432423026 /nfs/dbraw/zinc/42/30/26/432423026.db2.gz DKBBBVQVFBTAEC-UHFFFAOYSA-N 0 3 313.825 3.039 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@@H]2c2ccc[nH]2)cc1OC ZINC000271805045 432424294 /nfs/dbraw/zinc/42/42/94/432424294.db2.gz MCSBYNLZEJUWHD-CQSZACIVSA-N 0 3 302.374 3.075 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCCNc2ccccn2)c1 ZINC000185325488 432490941 /nfs/dbraw/zinc/49/09/41/432490941.db2.gz LTVJHIRORBUFGF-AWEZNQCLSA-N 0 3 315.417 3.339 20 10 DGCDHN C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000185475525 432503696 /nfs/dbraw/zinc/50/36/96/432503696.db2.gz HJKDITBZTMCCCR-DMZKTXOQSA-N 0 3 323.502 3.469 20 10 DGCDHN COCc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000193893721 432507522 /nfs/dbraw/zinc/50/75/22/432507522.db2.gz DFIWVKCEVGOTPB-CYBMUJFWSA-N 0 3 301.386 3.398 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)c1 ZINC000185119749 432467892 /nfs/dbraw/zinc/46/78/92/432467892.db2.gz XBLSJDNAVXCFLR-QWHCGFSZSA-N 0 3 301.386 3.305 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272503632 432514675 /nfs/dbraw/zinc/51/46/75/432514675.db2.gz HLSBUNWDXMXIRD-OAHLLOKOSA-N 0 3 313.397 3.302 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272503632 432514678 /nfs/dbraw/zinc/51/46/78/432514678.db2.gz HLSBUNWDXMXIRD-OAHLLOKOSA-N 0 3 313.397 3.302 20 10 DGCDHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000185657793 432520854 /nfs/dbraw/zinc/52/08/54/432520854.db2.gz FJASGGPQGYOTMG-HFZMZTSTSA-N 0 3 309.475 3.431 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c1[O-] ZINC000185677621 432524271 /nfs/dbraw/zinc/52/42/71/432524271.db2.gz IWDBPAWAICCXCR-RDTXWAMCSA-N 0 3 314.429 3.182 20 10 DGCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000185812793 432535039 /nfs/dbraw/zinc/53/50/39/432535039.db2.gz KAACORXIBABBHC-YOEHRIQHSA-N 0 3 310.397 3.157 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000185812731 432535279 /nfs/dbraw/zinc/53/52/79/432535279.db2.gz KAACORXIBABBHC-RHSMWYFYSA-N 0 3 310.397 3.157 20 10 DGCDHN COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185825914 432536244 /nfs/dbraw/zinc/53/62/44/432536244.db2.gz VDUHAFWMOPUZTL-KBXCAEBGSA-N 0 3 315.413 3.484 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000185828978 432536650 /nfs/dbraw/zinc/53/66/50/432536650.db2.gz FPMUVUNVJDYFCD-GUYCJALGSA-N 0 3 307.434 3.383 20 10 DGCDHN COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185825897 432536757 /nfs/dbraw/zinc/53/67/57/432536757.db2.gz VDUHAFWMOPUZTL-RDTXWAMCSA-N 0 3 315.413 3.484 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1O ZINC000155189391 432541207 /nfs/dbraw/zinc/54/12/07/432541207.db2.gz HHFZAXJDVNCKPJ-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c([O-])c1C ZINC000273614497 432616628 /nfs/dbraw/zinc/61/66/28/432616628.db2.gz WXRUIIOYNODVPC-ZDUSSCGKSA-N 0 3 308.422 3.184 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000186189662 432566367 /nfs/dbraw/zinc/56/63/67/432566367.db2.gz VCUVUZQKDDLAOO-SCLBCKFNSA-N 0 3 303.377 3.398 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c([O-])c1 ZINC000186190000 432566952 /nfs/dbraw/zinc/56/69/52/432566952.db2.gz OEWXSSDMQOSDGD-UGSOOPFHSA-N 0 3 303.377 3.398 20 10 DGCDHN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273466074 432603170 /nfs/dbraw/zinc/60/31/70/432603170.db2.gz DSVSUGPATZEJIS-QWRGUYRKSA-N 0 3 315.255 3.146 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186905247 432637216 /nfs/dbraw/zinc/63/72/16/432637216.db2.gz RUUXUNHMKATTJS-UHFFFAOYSA-N 0 3 322.412 3.049 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@H](O)c2ccc(C)o2)cc1 ZINC000265967142 432749194 /nfs/dbraw/zinc/74/91/94/432749194.db2.gz KBFKYQSIEFDKGH-KRWDZBQOSA-N 0 3 302.418 3.257 20 10 DGCDHN Cc1cc([C@@](C)(O)CNCc2ccc(N(C)C)c(F)c2)c(C)o1 ZINC000266166134 432751742 /nfs/dbraw/zinc/75/17/42/432751742.db2.gz PLQVDIMFIPMUHC-SFHVURJKSA-N 0 3 320.408 3.099 20 10 DGCDHN CC[C@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccccc1[O-] ZINC000275873295 432756796 /nfs/dbraw/zinc/75/67/96/432756796.db2.gz JYPNXNNDZVTCCJ-INIZCTEOSA-N 0 3 314.433 3.133 20 10 DGCDHN CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000276456808 432809499 /nfs/dbraw/zinc/80/94/99/432809499.db2.gz VLTMEAZPTKRHOY-YJYMSZOUSA-N 0 3 315.413 3.347 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCSc3ccccc31)OCO2 ZINC000238137752 432813219 /nfs/dbraw/zinc/81/32/19/432813219.db2.gz GUUVMUZUDIUGAI-CYBMUJFWSA-N 0 3 315.394 3.448 20 10 DGCDHN Oc1cc2c(cc1CN[C@@H]1CCSc3ccccc31)OCO2 ZINC000238137752 432813222 /nfs/dbraw/zinc/81/32/22/432813222.db2.gz GUUVMUZUDIUGAI-CYBMUJFWSA-N 0 3 315.394 3.448 20 10 DGCDHN COc1cccc(N2CC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)c1 ZINC000296225479 432885255 /nfs/dbraw/zinc/88/52/55/432885255.db2.gz AHJOOFWKVUMHTQ-YJBOKZPZSA-N 0 3 324.424 3.257 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)CC2 ZINC000296240659 432887376 /nfs/dbraw/zinc/88/73/76/432887376.db2.gz ATCKIEUGYGVTPQ-HOCLYGCPSA-N 0 3 303.789 3.356 20 10 DGCDHN Cc1cc(O)c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1C ZINC000278308843 432890858 /nfs/dbraw/zinc/89/08/58/432890858.db2.gz DZCURHBOQYNGRC-DOMZBBRYSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1C ZINC000278308843 432890860 /nfs/dbraw/zinc/89/08/60/432890860.db2.gz DZCURHBOQYNGRC-DOMZBBRYSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1C ZINC000278308843 432890863 /nfs/dbraw/zinc/89/08/63/432890863.db2.gz DZCURHBOQYNGRC-DOMZBBRYSA-N 0 3 317.351 3.144 20 10 DGCDHN COc1ncc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1Cl ZINC000296278942 432891065 /nfs/dbraw/zinc/89/10/65/432891065.db2.gz DYEIYGKYWLCRJF-SECBINFHSA-N 0 3 310.756 3.439 20 10 DGCDHN COc1ncc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1Cl ZINC000296589158 432923443 /nfs/dbraw/zinc/92/34/43/432923443.db2.gz UVXDOGPUKJOHIN-CYBMUJFWSA-N 0 3 304.777 3.226 20 10 DGCDHN COC[C@H]([NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)[C@H]1CCCO1 ZINC000278838955 432906895 /nfs/dbraw/zinc/90/68/95/432906895.db2.gz PKECFUCEGVMFMS-SOVGHPHASA-N 0 3 319.445 3.116 20 10 DGCDHN COc1cc([O-])c(C[NH2+]C(C2CCC2)C2CCC2)cc1OC ZINC000289852065 432977318 /nfs/dbraw/zinc/97/73/18/432977318.db2.gz VAIOBBNQZKRJSF-UHFFFAOYSA-N 0 3 305.418 3.468 20 10 DGCDHN CC[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(C)cc1[O-] ZINC000280038629 433000241 /nfs/dbraw/zinc/00/02/41/433000241.db2.gz ISOVNQLOIRJLJA-KRWDZBQOSA-N 0 3 307.434 3.327 20 10 DGCDHN COc1cc(O)c(CN[C@H]2c3ccccc3O[C@H]2C)cc1OC ZINC000290185641 433008158 /nfs/dbraw/zinc/00/81/58/433008158.db2.gz ODYIWZRXDVANIR-BBATYDOGSA-N 0 3 315.369 3.021 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000291704122 433320939 /nfs/dbraw/zinc/32/09/39/433320939.db2.gz ZGSVUIYVJQVZAK-QGZVFWFLSA-N 0 3 324.424 3.038 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000291704122 433320945 /nfs/dbraw/zinc/32/09/45/433320945.db2.gz ZGSVUIYVJQVZAK-QGZVFWFLSA-N 0 3 324.424 3.038 20 10 DGCDHN C[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000130884795 289981615 /nfs/dbraw/zinc/98/16/15/289981615.db2.gz VGRSQVZFTLJCOK-ZDUSSCGKSA-N 0 3 312.417 3.094 20 10 DGCDHN COc1cccc(C[NH2+]C(C)(C)COCc2ccccc2)c1[O-] ZINC000282303807 433561209 /nfs/dbraw/zinc/56/12/09/433561209.db2.gz RZBKNHWVDUCKSN-UHFFFAOYSA-N 0 3 315.413 3.486 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282386006 433589640 /nfs/dbraw/zinc/58/96/40/433589640.db2.gz GIVYFBGWTSNLFZ-INIZCTEOSA-N 0 3 317.429 3.480 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282386006 433589648 /nfs/dbraw/zinc/58/96/48/433589648.db2.gz GIVYFBGWTSNLFZ-INIZCTEOSA-N 0 3 317.429 3.480 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282954480 433643496 /nfs/dbraw/zinc/64/34/96/433643496.db2.gz ZITNCIJWLRFBKS-CXAGYDPISA-N 0 3 305.418 3.401 20 10 DGCDHN Cc1noc([C@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000293439021 433738890 /nfs/dbraw/zinc/73/88/90/433738890.db2.gz JTXGDRQKULQNOC-INIZCTEOSA-N 0 3 314.433 3.132 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cnc3n2CCCC3)cc1 ZINC000376729129 433805039 /nfs/dbraw/zinc/80/50/39/433805039.db2.gz OHDLMZHPSVDEJC-UHFFFAOYSA-N 0 3 312.461 3.355 20 10 DGCDHN CC[C@@H]([NH2+]CC1(COC)CCOCC1)c1ccc(C)cc1[O-] ZINC000293800398 433869777 /nfs/dbraw/zinc/86/97/77/433869777.db2.gz UXJUCLLILMJCMU-MRXNPFEDSA-N 0 3 307.434 3.185 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c([O-])c1 ZINC000294786307 434143950 /nfs/dbraw/zinc/14/39/50/434143950.db2.gz OBHXNXZNSAMBCB-YOEHRIQHSA-N 0 3 308.491 3.097 20 10 DGCDHN COc1ccc(O)c(CN(C)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000294942118 434155868 /nfs/dbraw/zinc/15/58/68/434155868.db2.gz CJHJSZJPAHZRJR-MRXNPFEDSA-N 0 3 321.804 3.220 20 10 DGCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000294978005 434157523 /nfs/dbraw/zinc/15/75/23/434157523.db2.gz GIOJXDCKVQFUDE-OAHLLOKOSA-N 0 3 309.768 3.350 20 10 DGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000294978005 434157532 /nfs/dbraw/zinc/15/75/32/434157532.db2.gz GIOJXDCKVQFUDE-OAHLLOKOSA-N 0 3 309.768 3.350 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c1[O-] ZINC000295014674 434160420 /nfs/dbraw/zinc/16/04/20/434160420.db2.gz MKTNEGNFBQEAIW-AWEZNQCLSA-N 0 3 313.825 3.301 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c1[O-] ZINC000295014674 434160426 /nfs/dbraw/zinc/16/04/26/434160426.db2.gz MKTNEGNFBQEAIW-AWEZNQCLSA-N 0 3 313.825 3.301 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000363859963 434169114 /nfs/dbraw/zinc/16/91/14/434169114.db2.gz SVYLAVFDNZMQOT-BHADISHBSA-N 0 3 305.418 3.255 20 10 DGCDHN CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534718 434387159 /nfs/dbraw/zinc/38/71/59/434387159.db2.gz PCOKPDIZORSUQK-WMLDXEAASA-N 0 3 324.440 3.073 20 10 DGCDHN COc1cccc([C@H](CNCc2ccc(OC)c(C)c2)OC)c1 ZINC000527738375 435013887 /nfs/dbraw/zinc/01/38/87/435013887.db2.gz ITAAYECCZJRFST-IBGZPJMESA-N 0 3 315.413 3.490 20 10 DGCDHN COc1ccc(CN[C@H](C)c2cc(OC)ccc2O)c(OC)c1 ZINC000273302353 533697903 /nfs/dbraw/zinc/69/79/03/533697903.db2.gz BSPMFZVYDQLAKT-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN CC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H](C)CO ZINC000293734433 335112809 /nfs/dbraw/zinc/11/28/09/335112809.db2.gz VBVQFELMWBGRCJ-HNNXBMFYSA-N 0 3 315.413 3.174 20 10 DGCDHN CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H](C)CO ZINC000293734433 335112810 /nfs/dbraw/zinc/11/28/10/335112810.db2.gz VBVQFELMWBGRCJ-HNNXBMFYSA-N 0 3 315.413 3.174 20 10 DGCDHN COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N(C)C)c1 ZINC000192865317 533719633 /nfs/dbraw/zinc/71/96/33/533719633.db2.gz WWAOJVLAYLKEOP-KBXCAEBGSA-N 0 3 314.429 3.354 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCCCC[C@@H]2CCO)cc1F ZINC001658093656 1196211440 /nfs/dbraw/zinc/21/14/40/1196211440.db2.gz MBNGIQMXOAZBGO-CQSZACIVSA-N 0 3 312.404 3.158 20 10 DGCDHN COc1ccc(N2CCCN(C[C@@H]3CCC(C)(C)O3)CC2)cc1 ZINC000184665771 534003739 /nfs/dbraw/zinc/00/37/39/534003739.db2.gz JNUDZTVBXWZMTJ-SFHVURJKSA-N 0 3 318.461 3.165 20 10 DGCDHN CCOCc1cc(CNCCC(=O)OC(C)(C)C)ccc1OC ZINC000266176963 520184941 /nfs/dbraw/zinc/18/49/41/520184941.db2.gz UDQOHGXPBSNEAE-UHFFFAOYSA-N 0 3 323.433 3.053 20 10 DGCDHN CCCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000180180241 520273067 /nfs/dbraw/zinc/27/30/67/520273067.db2.gz KGBZQDQAAUDYJB-OAHLLOKOSA-N 0 3 323.433 3.191 20 10 DGCDHN CCCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000180180241 520273075 /nfs/dbraw/zinc/27/30/75/520273075.db2.gz KGBZQDQAAUDYJB-OAHLLOKOSA-N 0 3 323.433 3.191 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)CCC2CCOCC2)c([O-])c1 ZINC000129675477 520346025 /nfs/dbraw/zinc/34/60/25/520346025.db2.gz KDKUXMADRUEUGO-UHFFFAOYSA-N 0 3 307.434 3.430 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)CCC2CCOCC2)c([O-])c1 ZINC000129675477 520346031 /nfs/dbraw/zinc/34/60/31/520346031.db2.gz KDKUXMADRUEUGO-UHFFFAOYSA-N 0 3 307.434 3.430 20 10 DGCDHN CCOc1cccc(C[NH2+]C(CC)(CC)CC(=O)OC)c1[O-] ZINC000267274187 521358529 /nfs/dbraw/zinc/35/85/29/521358529.db2.gz NCZKVXUCXBZPKX-UHFFFAOYSA-N 0 3 309.406 3.002 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@@](C)(O)C2CCCCC2)c1[O-] ZINC000191673612 521364071 /nfs/dbraw/zinc/36/40/71/521364071.db2.gz RAPWUZRPFFQGJT-GOSISDBHSA-N 0 3 307.434 3.212 20 10 DGCDHN CC[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccccc1[O-] ZINC000155819688 522570884 /nfs/dbraw/zinc/57/08/84/522570884.db2.gz CBMBCFAMFYKTFQ-HNNXBMFYSA-N 0 3 304.434 3.082 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180717869 524740168 /nfs/dbraw/zinc/74/01/68/524740168.db2.gz RWRJCFTWODZKIQ-YOEHRIQHSA-N 0 3 317.385 3.082 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180717869 524740186 /nfs/dbraw/zinc/74/01/86/524740186.db2.gz RWRJCFTWODZKIQ-YOEHRIQHSA-N 0 3 317.385 3.082 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134787581 524765086 /nfs/dbraw/zinc/76/50/86/524765086.db2.gz PBZSVVNTXDSMDX-KVPRVUCYSA-N 0 3 303.402 3.009 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2N(C)C)c1 ZINC000182449391 524767540 /nfs/dbraw/zinc/76/75/40/524767540.db2.gz MLWYNKCWYGTYMB-CYBMUJFWSA-N 0 3 300.402 3.318 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2N(C)C)c1 ZINC000182449391 524767551 /nfs/dbraw/zinc/76/75/51/524767551.db2.gz MLWYNKCWYGTYMB-CYBMUJFWSA-N 0 3 300.402 3.318 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)c1cccc(F)c1 ZINC000267180343 525526630 /nfs/dbraw/zinc/52/66/30/525526630.db2.gz KANYPYIZICFYJA-XIKOKIGWSA-N 0 3 320.383 3.243 20 10 DGCDHN Cc1ccoc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160195804 525797820 /nfs/dbraw/zinc/79/78/20/525797820.db2.gz RFCAHVGIXOOETA-INIZCTEOSA-N 0 3 301.386 3.475 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000180271185 526348420 /nfs/dbraw/zinc/34/84/20/526348420.db2.gz ZNMDLUJMBGSTGE-HOCLYGCPSA-N 0 3 305.349 3.212 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000180271185 526348426 /nfs/dbraw/zinc/34/84/26/526348426.db2.gz ZNMDLUJMBGSTGE-HOCLYGCPSA-N 0 3 305.349 3.212 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000131092356 526357307 /nfs/dbraw/zinc/35/73/07/526357307.db2.gz CXAGUQVBVCYKAE-FUHWJXTLSA-N 0 3 315.438 3.252 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000131092356 526357313 /nfs/dbraw/zinc/35/73/13/526357313.db2.gz CXAGUQVBVCYKAE-FUHWJXTLSA-N 0 3 315.438 3.252 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000238110902 526374366 /nfs/dbraw/zinc/37/43/66/526374366.db2.gz YNMRSSLOKQVXLS-LJQANCHMSA-N 0 3 311.381 3.404 20 10 DGCDHN CCOc1ccc(O)c(CNCc2ccnc(OC(F)F)c2)c1 ZINC000283836922 535753001 /nfs/dbraw/zinc/75/30/01/535753001.db2.gz FKJDXMGRGYGVMG-UHFFFAOYSA-N 0 3 324.327 3.077 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]CCCc2cccc(C)n2)c1 ZINC000285711159 535753042 /nfs/dbraw/zinc/75/30/42/535753042.db2.gz WKMPGMAEVACGFF-UHFFFAOYSA-N 0 3 300.402 3.217 20 10 DGCDHN CCC[C@]1(NCc2ccc(OC)c(COCC)c2)CCOC1 ZINC000285553169 535770600 /nfs/dbraw/zinc/77/06/00/535770600.db2.gz QXALMJJJYNPXHD-SFHVURJKSA-N 0 3 307.434 3.281 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C)cc1[O-] ZINC000285729122 535808117 /nfs/dbraw/zinc/80/81/17/535808117.db2.gz QSJXPDKUSAVQJG-IIDMSEBBSA-N 0 3 318.461 3.435 20 10 DGCDHN CC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000274736612 535945068 /nfs/dbraw/zinc/94/50/68/535945068.db2.gz DHTWYJNTNPULFB-RDJZCZTQSA-N 0 3 303.377 3.176 20 10 DGCDHN CN(C)CCOc1ccc(N(C)Cc2cccnc2Cl)cc1 ZINC000732411263 574574017 /nfs/dbraw/zinc/57/40/17/574574017.db2.gz ZNYBXKYZKFLKJY-UHFFFAOYSA-N 0 3 319.836 3.312 20 10 DGCDHN CN(C)CCOc1ccc(N(C)Cc2ccccc2F)cc1 ZINC000732410925 574574049 /nfs/dbraw/zinc/57/40/49/574574049.db2.gz NLSFZOPFFFLBLQ-UHFFFAOYSA-N 0 3 302.393 3.403 20 10 DGCDHN O=C(CCNCc1ccc(N2CCCC2)cc1)Nc1ccccc1 ZINC000733330490 574617127 /nfs/dbraw/zinc/61/71/27/574617127.db2.gz YAIXYGWINMIGGQ-UHFFFAOYSA-N 0 3 323.440 3.405 20 10 DGCDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733806636 574638989 /nfs/dbraw/zinc/63/89/89/574638989.db2.gz GMTDNZZYXNRQRA-KGLIPLIRSA-N 0 3 322.474 3.180 20 10 DGCDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733806636 574638991 /nfs/dbraw/zinc/63/89/91/574638991.db2.gz GMTDNZZYXNRQRA-KGLIPLIRSA-N 0 3 322.474 3.180 20 10 DGCDHN C[C@@]1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCCc2ccccc21 ZINC000734843791 574678706 /nfs/dbraw/zinc/67/87/06/574678706.db2.gz QDOUMYRJDLRHAA-LJQANCHMSA-N 0 3 311.381 3.462 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCc1nc2c(cccc2C)o1 ZINC000742710057 575014231 /nfs/dbraw/zinc/01/42/31/575014231.db2.gz DXAUMDSCMWMWCO-UHFFFAOYSA-N 0 3 312.369 3.183 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1COc2ccccc2O1 ZINC000743870573 575067748 /nfs/dbraw/zinc/06/77/48/575067748.db2.gz XYEWXVGENMPILZ-INIZCTEOSA-N 0 3 313.397 3.444 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1COc2ccccc2O1 ZINC000743870573 575067749 /nfs/dbraw/zinc/06/77/49/575067749.db2.gz XYEWXVGENMPILZ-INIZCTEOSA-N 0 3 313.397 3.444 20 10 DGCDHN Cc1cc(C(=O)N(C)CCN(C)C)c(C)n1-c1ccccc1C ZINC000747999319 575555855 /nfs/dbraw/zinc/55/58/55/575555855.db2.gz LDMCAXBPXGCEFK-UHFFFAOYSA-N 0 3 313.445 3.036 20 10 DGCDHN CCOc1cccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1O ZINC000748245621 575575086 /nfs/dbraw/zinc/57/50/86/575575086.db2.gz BZAPNEICTDJEJS-KRWDZBQOSA-N 0 3 317.433 3.401 20 10 DGCDHN COC(=O)/C(C)=C\CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000748810124 575608686 /nfs/dbraw/zinc/60/86/86/575608686.db2.gz QQLPWAXXTNDXQQ-WJDWOHSUSA-N 0 3 316.445 3.228 20 10 DGCDHN CN(C)c1ccc(CN(C)CCOc2ccccc2F)cc1 ZINC000726981098 576091326 /nfs/dbraw/zinc/09/13/26/576091326.db2.gz NBABHWFOMVZWNW-UHFFFAOYSA-N 0 3 302.393 3.403 20 10 DGCDHN COc1ccc(N2CCCN([C@H](C)c3cccnc3)CC2)cc1 ZINC000918186709 620701354 /nfs/dbraw/zinc/70/13/54/620701354.db2.gz GZOQSLHZFKWPET-MRXNPFEDSA-N 0 3 311.429 3.364 20 10 DGCDHN CN(Cc1cc(C(C)(C)C)cc(O)c1O)CC1=CCCOC1 ZINC000853561638 620709770 /nfs/dbraw/zinc/70/97/70/620709770.db2.gz LKXNTIQOBNDFOG-UHFFFAOYSA-N 0 3 305.418 3.174 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)c2c1 ZINC000853586648 620712728 /nfs/dbraw/zinc/71/27/28/620712728.db2.gz VTJKDPBAAZVXIK-GJZGRUSLSA-N 0 3 313.397 3.022 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4COC[C@@H]4C3)c2c1 ZINC000853586648 620712731 /nfs/dbraw/zinc/71/27/31/620712731.db2.gz VTJKDPBAAZVXIK-GJZGRUSLSA-N 0 3 313.397 3.022 20 10 DGCDHN Cc1cc(O)c(CN2CCN(Cc3ccsc3)CC2)cc1C ZINC000023856247 617797308 /nfs/dbraw/zinc/79/73/08/617797308.db2.gz QQLUEYOHWDPPOQ-UHFFFAOYSA-N 0 3 316.470 3.388 20 10 DGCDHN COc1ccc(CN2Cc3ccccc3C[C@@H]2C)c(O)c1OC ZINC000892112118 617964643 /nfs/dbraw/zinc/96/46/43/617964643.db2.gz PNNBPNIMHDIHMG-ZDUSSCGKSA-N 0 3 313.397 3.356 20 10 DGCDHN CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840889849 618144304 /nfs/dbraw/zinc/14/43/04/618144304.db2.gz IUXAXALYSRXJPA-HZPDHXFCSA-N 0 3 317.477 3.241 20 10 DGCDHN COc1ccc2c(c1)CN(Cc1cc3c(cc1O)CCC3)CC2 ZINC000920084221 620782653 /nfs/dbraw/zinc/78/26/53/620782653.db2.gz LYMOYLNIELOEFA-UHFFFAOYSA-N 0 3 309.409 3.448 20 10 DGCDHN COc1ccc(CN2CCC[C@H]2c2ccncc2)c(O)c1OC ZINC000894450120 618335572 /nfs/dbraw/zinc/33/55/72/618335572.db2.gz SDDRVUQIDBOKOJ-HNNXBMFYSA-N 0 3 314.385 3.142 20 10 DGCDHN CCOc1ccc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000895310380 618592856 /nfs/dbraw/zinc/59/28/56/618592856.db2.gz ODILLVZJBPVGBV-AWEZNQCLSA-N 0 3 316.401 3.055 20 10 DGCDHN COc1ccc(CN2CCc3ccc(C)cc3C2)c(O)c1OC ZINC000895330989 618597127 /nfs/dbraw/zinc/59/71/27/618597127.db2.gz SYYHOSHRMMGARB-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCc2nc(C)ncc21 ZINC000840934816 618609734 /nfs/dbraw/zinc/60/97/34/618609734.db2.gz XZVUTCHLDKNCKN-GOSISDBHSA-N 0 3 310.445 3.327 20 10 DGCDHN COc1cccc(O)c1CNCc1cnccc1C(C)(C)C ZINC000840958926 618636184 /nfs/dbraw/zinc/63/61/84/618636184.db2.gz NMPBCDCRVDZQDT-UHFFFAOYSA-N 0 3 300.402 3.383 20 10 DGCDHN c1ccc2c(c1)CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000154439642 618637758 /nfs/dbraw/zinc/63/77/58/618637758.db2.gz PYDYDIUAIKNVDC-UHFFFAOYSA-N 0 3 308.425 3.082 20 10 DGCDHN COc1cccc(CNCc2cc(C)cc(OC)c2O)c1OC ZINC000894192597 618726339 /nfs/dbraw/zinc/72/63/39/618726339.db2.gz GCMLHAWYPPLBBB-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN COc1cc(C)cc(CN[C@@H]2CCOc3ccc(F)cc32)c1O ZINC000894231149 618734818 /nfs/dbraw/zinc/73/48/18/618734818.db2.gz NZMDUWJCOXHTPV-OAHLLOKOSA-N 0 3 317.360 3.462 20 10 DGCDHN COc1cc(C)cc(CN[C@H](C)c2cnn(C(C)C)c2)c1O ZINC000894251778 618740103 /nfs/dbraw/zinc/74/01/03/618740103.db2.gz ZDCIUUFLZIGXCM-CYBMUJFWSA-N 0 3 303.406 3.337 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC3(CCCCO3)CC2)c([O-])c1 ZINC000895658887 618813580 /nfs/dbraw/zinc/81/35/80/618813580.db2.gz OTKNJMBRTOKQHD-UHFFFAOYSA-N 0 3 305.418 3.326 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCCOC1 ZINC000895665027 618814313 /nfs/dbraw/zinc/81/43/13/618814313.db2.gz WZMFCAIATWSUJE-FZMZJTMJSA-N 0 3 313.825 3.349 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CCC[C@H](c3ccn(C)n3)C2)cc1 ZINC000896488567 618917694 /nfs/dbraw/zinc/91/76/94/618917694.db2.gz IDISDKJYVNDMJM-SUZKBHRPSA-N 0 3 324.472 3.379 20 10 DGCDHN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(C)cc3[O-])C2)n1 ZINC000897040859 619007079 /nfs/dbraw/zinc/00/70/79/619007079.db2.gz AVWXQGFYPGXNTO-OCCSQVGLSA-N 0 3 301.390 3.072 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000897236236 619034439 /nfs/dbraw/zinc/03/44/39/619034439.db2.gz DRVUEBQFEKJZFN-GOSISDBHSA-N 0 3 301.361 3.327 20 10 DGCDHN CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1c(C)cccc1[O-] ZINC000897524069 619145559 /nfs/dbraw/zinc/14/55/59/619145559.db2.gz QNEGZNQQZNRGFR-CQSZACIVSA-N 0 3 305.340 3.274 20 10 DGCDHN CC[N@H+](CCC(=O)NC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000897710523 619174556 /nfs/dbraw/zinc/17/45/56/619174556.db2.gz VMUXFMCGRLSRCG-UHFFFAOYSA-N 0 3 312.413 3.017 20 10 DGCDHN CC[N@@H+](CCC(=O)NC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000897710523 619174558 /nfs/dbraw/zinc/17/45/58/619174558.db2.gz VMUXFMCGRLSRCG-UHFFFAOYSA-N 0 3 312.413 3.017 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccccc1[O-] ZINC000926925729 619249964 /nfs/dbraw/zinc/24/99/64/619249964.db2.gz KVIFPLPBEMQZKD-VXGBXAGGSA-N 0 3 302.340 3.070 20 10 DGCDHN C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000926962123 619252921 /nfs/dbraw/zinc/25/29/21/619252921.db2.gz KBTWZBKQNRCCMO-ZANVPECISA-N 0 3 308.319 3.065 20 10 DGCDHN Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000903165993 619728511 /nfs/dbraw/zinc/72/85/11/619728511.db2.gz ZSOSDSDRQKNHDP-LLVKDONJSA-N 0 3 313.323 3.267 20 10 DGCDHN C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc(F)ccc1[O-] ZINC000903289714 619754807 /nfs/dbraw/zinc/75/48/07/619754807.db2.gz NAPDHLYOWOSLLT-BBRMVZONSA-N 0 3 303.377 3.176 20 10 DGCDHN C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000903378744 619768324 /nfs/dbraw/zinc/76/83/24/619768324.db2.gz YJPYUWWVWUCLMC-IHRRRGAJSA-N 0 3 320.433 3.346 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c([O-])c1 ZINC000788074865 620893689 /nfs/dbraw/zinc/89/36/89/620893689.db2.gz FLUOGBFKLGFHQW-INIZCTEOSA-N 0 3 317.433 3.054 20 10 DGCDHN COc1ccc(O)c(CNCc2cn(C)nc2C2CCCC2)c1 ZINC000921740001 620942331 /nfs/dbraw/zinc/94/23/31/620942331.db2.gz BWDNBOYTIBLQOO-UHFFFAOYSA-N 0 3 315.417 3.082 20 10 DGCDHN Cc1ncc2c(n1)CCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921748449 620944039 /nfs/dbraw/zinc/94/40/39/620944039.db2.gz IBFZARYASVISAW-QGZVFWFLSA-N 0 3 309.413 3.277 20 10 DGCDHN CCOc1cncc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000857046732 621050367 /nfs/dbraw/zinc/05/03/67/621050367.db2.gz PUABBOPFFQVRQW-LBPRGKRZSA-N 0 3 302.374 3.045 20 10 DGCDHN COc1ccc(F)c(CN[C@@H](C)c2cccc(OC)c2O)c1 ZINC000857081167 621056751 /nfs/dbraw/zinc/05/67/51/621056751.db2.gz MMRSCFIEJJNKLV-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000858473888 621195551 /nfs/dbraw/zinc/19/55/51/621195551.db2.gz RLFXELRJDNFZIM-GWCFXTLKSA-N 0 3 309.793 3.266 20 10 DGCDHN CCCC[N@H+](CCOC1CCOCC1)Cc1ccccc1[O-] ZINC000859296106 621268082 /nfs/dbraw/zinc/26/80/82/621268082.db2.gz BCJLNTYOWSBPAO-UHFFFAOYSA-N 0 3 307.434 3.190 20 10 DGCDHN CCCC[N@@H+](CCOC1CCOCC1)Cc1ccccc1[O-] ZINC000859296106 621268084 /nfs/dbraw/zinc/26/80/84/621268084.db2.gz BCJLNTYOWSBPAO-UHFFFAOYSA-N 0 3 307.434 3.190 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000839184893 621345068 /nfs/dbraw/zinc/34/50/68/621345068.db2.gz MGXAUILXSDWXTB-CRAIPNDOSA-N 0 3 315.413 3.218 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1cncs1)C[C@H]1CCCO1 ZINC000839517337 621381115 /nfs/dbraw/zinc/38/11/15/621381115.db2.gz SIHWCBNWYLVYHF-OAHLLOKOSA-N 0 3 318.442 3.072 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1cncs1)C[C@H]1CCCO1 ZINC000839517337 621381118 /nfs/dbraw/zinc/38/11/18/621381118.db2.gz SIHWCBNWYLVYHF-OAHLLOKOSA-N 0 3 318.442 3.072 20 10 DGCDHN CCOc1ccc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)c(O)c1 ZINC000752923786 621416141 /nfs/dbraw/zinc/41/61/41/621416141.db2.gz GSQOIAUURAILSG-VXGBXAGGSA-N 0 3 318.421 3.273 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)(C)O ZINC000753552468 621447992 /nfs/dbraw/zinc/44/79/92/621447992.db2.gz CSQPWERPOATWLC-AWEZNQCLSA-N 0 3 315.413 3.220 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1[O-] ZINC000753577380 621450424 /nfs/dbraw/zinc/45/04/24/621450424.db2.gz USAOUTTUXMMXGA-QMTHXVAHSA-N 0 3 314.223 3.120 20 10 DGCDHN COc1cc(C)cc(CN2CCC[C@@H]2c2cc(C)no2)c1O ZINC000754728019 621528561 /nfs/dbraw/zinc/52/85/61/621528561.db2.gz VDFQYPDMPJQDOJ-CQSZACIVSA-N 0 3 302.374 3.343 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN2CC(F)F)c1[O-] ZINC000862469021 621593276 /nfs/dbraw/zinc/59/32/76/621593276.db2.gz WONJLKMPBBAAPT-CYBMUJFWSA-N 0 3 318.795 3.173 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1[O-] ZINC000756342769 621629317 /nfs/dbraw/zinc/62/93/17/621629317.db2.gz LDMAQFXVIHADTD-PBHICJAKSA-N 0 3 316.420 3.355 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756433739 621638353 /nfs/dbraw/zinc/63/83/53/621638353.db2.gz YGYRENBFOGVUJQ-TZMCWYRMSA-N 0 3 320.408 3.072 20 10 DGCDHN COc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])c(OC)c1 ZINC000756494831 621641942 /nfs/dbraw/zinc/64/19/42/621641942.db2.gz HSZOBICTHQIPJY-GFCCVEGCSA-N 0 3 319.376 3.442 20 10 DGCDHN Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756513614 621643866 /nfs/dbraw/zinc/64/38/66/621643866.db2.gz OQNGAEBPJKOKAZ-YMTOWFKASA-N 0 3 303.381 3.220 20 10 DGCDHN Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756513611 621643922 /nfs/dbraw/zinc/64/39/22/621643922.db2.gz OQNGAEBPJKOKAZ-LKFCYVNXSA-N 0 3 303.381 3.220 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)c2c1c(F)ccc2[O-] ZINC000756547331 621647113 /nfs/dbraw/zinc/64/71/13/621647113.db2.gz AVSUZJJKXFHLLN-XHDPSFHLSA-N 0 3 301.361 3.362 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756554293 621647980 /nfs/dbraw/zinc/64/79/80/621647980.db2.gz ORSBCTBJVGACRU-UXIGCNINSA-N 0 3 304.409 3.154 20 10 DGCDHN C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000756561606 621649199 /nfs/dbraw/zinc/64/91/99/621649199.db2.gz FQOAMSYGNNAMGC-DJJJIMSYSA-N 0 3 315.388 3.406 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)c2c1c(F)ccc2[O-] ZINC000756570949 621650162 /nfs/dbraw/zinc/65/01/62/621650162.db2.gz GWJSSXYAOHXGCL-BXUZGUMPSA-N 0 3 302.349 3.143 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccsc2)c2c1c(F)ccc2[O-] ZINC000756592056 621651745 /nfs/dbraw/zinc/65/17/45/621651745.db2.gz IHKNTTLZWRIHSS-LQJRIPTKSA-N 0 3 307.390 3.464 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccsc2)c2c1c(F)ccc2[O-] ZINC000756592051 621651830 /nfs/dbraw/zinc/65/18/30/621651830.db2.gz IHKNTTLZWRIHSS-IUPBHXKESA-N 0 3 307.390 3.464 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000756607145 621652736 /nfs/dbraw/zinc/65/27/36/621652736.db2.gz ZJDNFGTUBQUOTL-NFAWXSAZSA-N 0 3 323.408 3.112 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)c2c1c(F)ccc2[O-] ZINC000756659292 621657301 /nfs/dbraw/zinc/65/73/01/621657301.db2.gz CQHLPTKZDZUUQW-LALPHHSUSA-N 0 3 319.376 3.113 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c([O-])c1 ZINC000756708633 621659464 /nfs/dbraw/zinc/65/94/64/621659464.db2.gz TVKJYOURVUNSLW-CQSZACIVSA-N 0 3 320.433 3.361 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c([O-])c1 ZINC000756741980 621661971 /nfs/dbraw/zinc/66/19/71/621661971.db2.gz ZJMHBJHTSLYUFN-BDJLRTHQSA-N 0 3 307.340 3.363 20 10 DGCDHN C[C@H]([NH2+]CC1(CCO)CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000756763842 621662665 /nfs/dbraw/zinc/66/26/65/621662665.db2.gz AAABXBUWKYYQIJ-AWEZNQCLSA-N 0 3 303.446 3.474 20 10 DGCDHN Cc1cc(CNCc2cc(-c3ccccc3)ccc2O)ncn1 ZINC000756991451 621677835 /nfs/dbraw/zinc/67/78/35/621677835.db2.gz SJQOSUQUQKVKFM-UHFFFAOYSA-N 0 3 305.381 3.447 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c([O-])c1 ZINC000757864679 621743763 /nfs/dbraw/zinc/74/37/63/621743763.db2.gz BTCHDWOVSPWHEI-DOTOQJQBSA-N 0 3 307.434 3.020 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c([O-])c1 ZINC000757864679 621743764 /nfs/dbraw/zinc/74/37/64/621743764.db2.gz BTCHDWOVSPWHEI-DOTOQJQBSA-N 0 3 307.434 3.020 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c([O-])c1 ZINC000865762313 621990503 /nfs/dbraw/zinc/99/05/03/621990503.db2.gz NOCMNHYKKIKNAG-CRAIPNDOSA-N 0 3 305.418 3.086 20 10 DGCDHN COc1cc(Cl)cc(CN2C[C@@H](C)S[C@H](C)C2)c1O ZINC000761195878 621993070 /nfs/dbraw/zinc/99/30/70/621993070.db2.gz QIKCJRNHEDFSJU-NXEZZACHSA-N 0 3 301.839 3.380 20 10 DGCDHN CCOc1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c([O-])c1 ZINC000865857334 622009612 /nfs/dbraw/zinc/00/96/12/622009612.db2.gz REIMTQWPMVFGPK-QGZVFWFLSA-N 0 3 305.418 3.372 20 10 DGCDHN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](O)C(F)(F)F ZINC000866464886 622122663 /nfs/dbraw/zinc/12/26/63/622122663.db2.gz ZNXUCUVPNTXGDC-HJIKLVIJSA-N 0 3 309.303 3.130 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(C)cc1[O-] ZINC000866533371 622133499 /nfs/dbraw/zinc/13/34/99/622133499.db2.gz QKYVBZCSASDQTQ-RDJZCZTQSA-N 0 3 319.445 3.327 20 10 DGCDHN C[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000766435914 622329682 /nfs/dbraw/zinc/32/96/82/622329682.db2.gz CPSSGRNPTBGDQX-HNNXBMFYSA-N 0 3 317.477 3.194 20 10 DGCDHN CC1CC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000768226003 622446272 /nfs/dbraw/zinc/44/62/72/622446272.db2.gz XPTBWPYWRIPDLK-NRAUKZCXSA-N 0 3 308.853 3.398 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccc1)[C@H](O)CO2 ZINC000768441432 622456053 /nfs/dbraw/zinc/45/60/53/622456053.db2.gz LNUKAKRRNSFNSB-FUHWJXTLSA-N 0 3 311.381 3.155 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1)[C@H](O)CO2 ZINC000768441432 622456054 /nfs/dbraw/zinc/45/60/54/622456054.db2.gz LNUKAKRRNSFNSB-FUHWJXTLSA-N 0 3 311.381 3.155 20 10 DGCDHN CC(C)(C)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768444475 622456102 /nfs/dbraw/zinc/45/61/02/622456102.db2.gz BQDGITDGYQYVPN-MRXNPFEDSA-N 0 3 305.418 3.076 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@H]2c2ccccn2)cc1OC ZINC000768443848 622456120 /nfs/dbraw/zinc/45/61/20/622456120.db2.gz VEJQRPGWTHXWPJ-HNNXBMFYSA-N 0 3 314.385 3.142 20 10 DGCDHN CC(C)[N@H+](Cc1cccs1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442581 622456295 /nfs/dbraw/zinc/45/62/95/622456295.db2.gz MBKHAUQWXQQPIZ-INIZCTEOSA-N 0 3 319.426 3.290 20 10 DGCDHN CC(C)[N@@H+](Cc1cccs1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442581 622456296 /nfs/dbraw/zinc/45/62/96/622456296.db2.gz MBKHAUQWXQQPIZ-INIZCTEOSA-N 0 3 319.426 3.290 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCCCC1)[C@@H](O)CO2 ZINC000768442519 622456331 /nfs/dbraw/zinc/45/63/31/622456331.db2.gz KWXKAVIJKKJURL-WMZOPIPTSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCCCC1)[C@@H](O)CO2 ZINC000768442519 622456333 /nfs/dbraw/zinc/45/63/33/622456333.db2.gz KWXKAVIJKKJURL-WMZOPIPTSA-N 0 3 317.429 3.363 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c([O-])c1 ZINC000769447618 622528582 /nfs/dbraw/zinc/52/85/82/622528582.db2.gz YVGOBFDTGBMLSJ-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)c([O-])c1 ZINC000769447618 622528585 /nfs/dbraw/zinc/52/85/85/622528585.db2.gz YVGOBFDTGBMLSJ-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN CC[N@@H+](Cc1c([O-])cccc1OC)C[C@H](O)c1ccc(C)cc1 ZINC000769481490 622532455 /nfs/dbraw/zinc/53/24/55/622532455.db2.gz BGRSIPXULSFAFA-SFHVURJKSA-N 0 3 315.413 3.265 20 10 DGCDHN CC[N@H+](Cc1c([O-])cccc1OC)C[C@H](O)c1ccc(C)cc1 ZINC000769481490 622532457 /nfs/dbraw/zinc/53/24/57/622532457.db2.gz BGRSIPXULSFAFA-SFHVURJKSA-N 0 3 315.413 3.265 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c([O-])c1 ZINC000769537642 622538985 /nfs/dbraw/zinc/53/89/85/622538985.db2.gz NQBAWICBCQPFKQ-MRXNPFEDSA-N 0 3 315.417 3.034 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c([O-])c1 ZINC000769537642 622538989 /nfs/dbraw/zinc/53/89/89/622538989.db2.gz NQBAWICBCQPFKQ-MRXNPFEDSA-N 0 3 315.417 3.034 20 10 DGCDHN COc1cccc(O)c1CN(C)Cc1cccc(N(C)C)c1 ZINC000769536748 622539048 /nfs/dbraw/zinc/53/90/48/622539048.db2.gz DUPNRJIPUQULSP-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000769536748 622539051 /nfs/dbraw/zinc/53/90/51/622539051.db2.gz DUPNRJIPUQULSP-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000769536748 622539055 /nfs/dbraw/zinc/53/90/55/622539055.db2.gz DUPNRJIPUQULSP-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC000770504549 622640451 /nfs/dbraw/zinc/64/04/51/622640451.db2.gz IZLISEHPMQFEJR-UONOGXRCSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC000770504549 622640453 /nfs/dbraw/zinc/64/04/53/622640453.db2.gz IZLISEHPMQFEJR-UONOGXRCSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2=O)c2c1c(F)ccc2[O-] ZINC000872113216 622814925 /nfs/dbraw/zinc/81/49/25/622814925.db2.gz NNTFIDJNPVIRCA-WZRBSPASSA-N 0 3 307.365 3.013 20 10 DGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126984 622822666 /nfs/dbraw/zinc/82/26/66/622822666.db2.gz QQAGPSZETZRFDS-ZHALLVOQSA-N 0 3 311.425 3.427 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC1CCCCC1 ZINC000772798101 622941369 /nfs/dbraw/zinc/94/13/69/622941369.db2.gz OEQLWEPCEDZMCV-OAHLLOKOSA-N 0 3 318.461 3.442 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC1CCCCC1 ZINC000772798101 622941371 /nfs/dbraw/zinc/94/13/71/622941371.db2.gz OEQLWEPCEDZMCV-OAHLLOKOSA-N 0 3 318.461 3.442 20 10 DGCDHN CCCCCCN(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773014883 622967313 /nfs/dbraw/zinc/96/73/13/622967313.db2.gz MNPOLYWJPCGECR-INIZCTEOSA-N 0 3 319.493 3.442 20 10 DGCDHN CCN(C)c1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)cc1 ZINC000773810859 623074032 /nfs/dbraw/zinc/07/40/32/623074032.db2.gz CEEZGXOAADTIGD-UHFFFAOYSA-N 0 3 319.493 3.173 20 10 DGCDHN CCN(C)c1ccc(CN[C@@H](CCO)c2cccs2)cc1 ZINC000773842239 623078757 /nfs/dbraw/zinc/07/87/57/623078757.db2.gz ZBAPMAYNCONOOU-INIZCTEOSA-N 0 3 304.459 3.418 20 10 DGCDHN CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000873224216 623081199 /nfs/dbraw/zinc/08/11/99/623081199.db2.gz XPNYHIIOEZVVGW-MRXNPFEDSA-N 0 3 314.832 3.382 20 10 DGCDHN CCC(C)(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774480467 623151452 /nfs/dbraw/zinc/15/14/52/623151452.db2.gz CCYIKESFWSLIGM-ZIAGYGMSSA-N 0 3 305.466 3.097 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCc1cnccn1 ZINC000774832180 623197211 /nfs/dbraw/zinc/19/72/11/623197211.db2.gz JZEDQQHHPVOWME-UHFFFAOYSA-N 0 3 305.381 3.182 20 10 DGCDHN CCOC(=O)C[C@](C)([NH2+]Cc1ccc(OCC)cc1[O-])C(C)C ZINC000775373950 623261475 /nfs/dbraw/zinc/26/14/75/623261475.db2.gz FNIZOZGLLOJZJD-SFHVURJKSA-N 0 3 323.433 3.248 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000775488051 623279672 /nfs/dbraw/zinc/27/96/72/623279672.db2.gz GJYJDLJYWWVAMK-CRAIPNDOSA-N 0 3 317.404 3.423 20 10 DGCDHN CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1[O-] ZINC000775504317 623281503 /nfs/dbraw/zinc/28/15/03/623281503.db2.gz XKDWXNWWDHYGRK-FUHWJXTLSA-N 0 3 318.461 3.076 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)c1ccccc1[O-] ZINC000775525835 623285028 /nfs/dbraw/zinc/28/50/28/623285028.db2.gz ODVWRKWAOUPCAZ-RHSMWYFYSA-N 0 3 313.397 3.445 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1[O-] ZINC000775674445 623311040 /nfs/dbraw/zinc/31/10/40/623311040.db2.gz BNIUGWOYWNFKPY-HNNXBMFYSA-N 0 3 305.809 3.388 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1[O-] ZINC000775674445 623311045 /nfs/dbraw/zinc/31/10/45/623311045.db2.gz BNIUGWOYWNFKPY-HNNXBMFYSA-N 0 3 305.809 3.388 20 10 DGCDHN Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)o1 ZINC000775672859 623311581 /nfs/dbraw/zinc/31/15/81/623311581.db2.gz PHBSOKYFNNSUOO-GFCCVEGCSA-N 0 3 321.808 3.425 20 10 DGCDHN Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)o1 ZINC000775672859 623311584 /nfs/dbraw/zinc/31/15/84/623311584.db2.gz PHBSOKYFNNSUOO-GFCCVEGCSA-N 0 3 321.808 3.425 20 10 DGCDHN COc1cc(Br)cc(CN2CC[C@@H]2C(C)C)c1O ZINC000775765773 623328055 /nfs/dbraw/zinc/32/80/55/623328055.db2.gz RFPCIXYWHJZALY-GFCCVEGCSA-N 0 3 314.223 3.394 20 10 DGCDHN Cc1cccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775835467 623339742 /nfs/dbraw/zinc/33/97/42/623339742.db2.gz ZINKVCVPVNHFOS-OAHLLOKOSA-N 0 3 311.429 3.350 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@](C)(CO)c2ccccc2)c1[O-] ZINC000776176097 623391123 /nfs/dbraw/zinc/39/11/23/623391123.db2.gz XXTVZTVTRGAQEI-KRWDZBQOSA-N 0 3 305.805 3.351 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000777573705 623543358 /nfs/dbraw/zinc/54/33/58/623543358.db2.gz CMFLFYYEFLDBCF-UHFFFAOYSA-N 0 3 307.340 3.137 20 10 DGCDHN COc1ccc(CN(C)Cc2c(C)cccc2O)c(OC)c1 ZINC000876534280 623636397 /nfs/dbraw/zinc/63/63/97/623636397.db2.gz AYNMCYPPVBVNMS-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN CCCN(Cc1c2c(nn1C)CCCC2)Cc1ccccc1O ZINC000876655315 623671179 /nfs/dbraw/zinc/67/11/79/623671179.db2.gz ZEYPVTKOGKJHAJ-UHFFFAOYSA-N 0 3 313.445 3.417 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c([O-])c1 ZINC000876659011 623673518 /nfs/dbraw/zinc/67/35/18/623673518.db2.gz LHQMFKDRNBSQKQ-OAHLLOKOSA-N 0 3 318.461 3.073 20 10 DGCDHN Cc1cccc(O)c1CN(C)Cc1cc(Br)cn1C ZINC000876807368 623710609 /nfs/dbraw/zinc/71/06/09/623710609.db2.gz CHZJCYABIMHITB-UHFFFAOYSA-N 0 3 323.234 3.434 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000876809185 623712196 /nfs/dbraw/zinc/71/21/96/623712196.db2.gz XEOYFNXIRGUXIR-RDJZCZTQSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000876809185 623712198 /nfs/dbraw/zinc/71/21/98/623712198.db2.gz XEOYFNXIRGUXIR-RDJZCZTQSA-N 0 3 301.386 3.382 20 10 DGCDHN CCOC(=O)CCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000779024324 623721950 /nfs/dbraw/zinc/72/19/50/623721950.db2.gz DIGMMBPDDJYGDW-UHFFFAOYSA-N 0 3 309.381 3.087 20 10 DGCDHN Cc1cccc(C2(O)CC[NH+](Cc3ccccc3[O-])CC2)c1C ZINC000779022835 623722201 /nfs/dbraw/zinc/72/22/01/623722201.db2.gz IMRLWGYXRKMOJA-UHFFFAOYSA-N 0 3 311.425 3.493 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)c1[O-] ZINC000779041644 623724184 /nfs/dbraw/zinc/72/41/84/623724184.db2.gz WRWPPQMPAGQTME-NXEZZACHSA-N 0 3 316.239 3.273 20 10 DGCDHN COc1cccc([C@H](C[NH2+]Cc2ccc(C)cc2[O-])N(C)C)c1 ZINC000876886032 623735970 /nfs/dbraw/zinc/73/59/70/623735970.db2.gz SYQJEPPWJGDINI-SFHVURJKSA-N 0 3 314.429 3.102 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000876887587 623736159 /nfs/dbraw/zinc/73/61/59/623736159.db2.gz BHPIELGYUXGCEL-MRXNPFEDSA-N 0 3 300.402 3.220 20 10 DGCDHN COc1cccc([C@@H](C[NH2+]Cc2c(C)cccc2[O-])N(C)C)c1 ZINC000876885918 623736322 /nfs/dbraw/zinc/73/63/22/623736322.db2.gz RTKNXQWXPSXEIN-GOSISDBHSA-N 0 3 314.429 3.102 20 10 DGCDHN CCC(CC)C(=O)N1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000876949676 623753090 /nfs/dbraw/zinc/75/30/90/623753090.db2.gz VCIBJYLVUYMTNE-UHFFFAOYSA-N 0 3 318.461 3.217 20 10 DGCDHN COc1ccc(OC)c(CC[NH2+]Cc2c(C)cccc2[O-])c1 ZINC000876978454 623759070 /nfs/dbraw/zinc/75/90/70/623759070.db2.gz KNKMHLYTVLDGAE-UHFFFAOYSA-N 0 3 301.386 3.050 20 10 DGCDHN CN(C)c1ccc(CN(C)CCN(C)C(=O)OC(C)(C)C)cc1 ZINC000779597831 623780410 /nfs/dbraw/zinc/78/04/10/623780410.db2.gz WRTODYQEDZSPPG-UHFFFAOYSA-N 0 3 321.465 3.051 20 10 DGCDHN COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877083501 623787814 /nfs/dbraw/zinc/78/78/14/623787814.db2.gz BQONKIYSKKSKSH-MRXNPFEDSA-N 0 3 312.413 3.078 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000877117358 623795242 /nfs/dbraw/zinc/79/52/42/623795242.db2.gz WDAFEHOJFYIZTE-AWEZNQCLSA-N 0 3 307.459 3.235 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000877128381 623798994 /nfs/dbraw/zinc/79/89/94/623798994.db2.gz GOHRIUMDNUDBGV-FZKQIMNGSA-N 0 3 303.377 3.442 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c([O-])c1 ZINC000877374857 623861356 /nfs/dbraw/zinc/86/13/56/623861356.db2.gz PPTLKVKCHJGYGT-KRWDZBQOSA-N 0 3 305.805 3.351 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cnc(C)nc2C)c1 ZINC000877532042 623927171 /nfs/dbraw/zinc/92/71/71/623927171.db2.gz BYHHNRNRMUCTNS-MNOVXSKESA-N 0 3 301.390 3.219 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000877551506 623938295 /nfs/dbraw/zinc/93/82/95/623938295.db2.gz CESSPLQVJMLCFR-UHFFFAOYSA-N 0 3 310.319 3.447 20 10 DGCDHN C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790748147 625692141 /nfs/dbraw/zinc/69/21/41/625692141.db2.gz JYSZRUBCQCMNDN-CYBMUJFWSA-N 0 3 321.421 3.073 20 10 DGCDHN CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H](C)c2ccccc2[O-])c1C ZINC000877755551 624021862 /nfs/dbraw/zinc/02/18/62/624021862.db2.gz DYGWRVBQXBVQPC-GFCCVEGCSA-N 0 3 316.401 3.365 20 10 DGCDHN C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1[O-] ZINC000877757385 624023861 /nfs/dbraw/zinc/02/38/61/624023861.db2.gz WLASQORNFZNLHH-LBPRGKRZSA-N 0 3 316.367 3.460 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOCC4(CC4)C3)c2c1 ZINC000782300603 624236062 /nfs/dbraw/zinc/23/60/62/624236062.db2.gz JELGWSYSLWYHIM-UHFFFAOYSA-N 0 3 313.397 3.166 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOCC4(CC4)C3)c2c1 ZINC000782300603 624236066 /nfs/dbraw/zinc/23/60/66/624236066.db2.gz JELGWSYSLWYHIM-UHFFFAOYSA-N 0 3 313.397 3.166 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(O)CCCC1 ZINC000878565533 624309761 /nfs/dbraw/zinc/30/97/61/624309761.db2.gz OWVBHDUPHGPETN-KRWDZBQOSA-N 0 3 321.461 3.050 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(O)CCCC1 ZINC000878565533 624309764 /nfs/dbraw/zinc/30/97/64/624309764.db2.gz OWVBHDUPHGPETN-KRWDZBQOSA-N 0 3 321.461 3.050 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccccc1[O-] ZINC000879648687 624620996 /nfs/dbraw/zinc/62/09/96/624620996.db2.gz ZFMZVZWUTHZLBV-CQSZACIVSA-N 0 3 304.434 3.129 20 10 DGCDHN CCc1nc(NC(=O)CN[C@H](C)c2ccccc2O)sc1C ZINC000879648336 624621232 /nfs/dbraw/zinc/62/12/32/624621232.db2.gz KJLPOEQRMUNFJV-SNVBAGLBSA-N 0 3 319.430 3.009 20 10 DGCDHN CCc1nc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])sc1C ZINC000879648336 624621252 /nfs/dbraw/zinc/62/12/52/624621252.db2.gz KJLPOEQRMUNFJV-SNVBAGLBSA-N 0 3 319.430 3.009 20 10 DGCDHN Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000879651626 624624375 /nfs/dbraw/zinc/62/43/75/624624375.db2.gz DUUWXICOPVIGRU-HOTGVXAUSA-N 0 3 315.413 3.100 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000879651385 624624606 /nfs/dbraw/zinc/62/46/06/624624606.db2.gz SWICOOPWZOVMNF-XOBRGWDASA-N 0 3 324.424 3.310 20 10 DGCDHN COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879651437 624624833 /nfs/dbraw/zinc/62/48/33/624624833.db2.gz VRJUHOXNCRRVID-STQMWFEESA-N 0 3 314.385 3.079 20 10 DGCDHN C[C@H](NCc1cc(F)cc2c1OCOC2)c1ccccc1O ZINC000879653037 624626887 /nfs/dbraw/zinc/62/68/87/624626887.db2.gz KRYJZIQRRJYUSX-NSHDSACASA-N 0 3 303.333 3.249 20 10 DGCDHN CC(=O)c1cc(F)cc(CN2CCC3(CCCCO3)CC2)c1O ZINC000880454633 624959273 /nfs/dbraw/zinc/95/92/73/624959273.db2.gz HDHOCKIBQBKICZ-UHFFFAOYSA-N 0 3 321.392 3.269 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CC(F)(F)F)C1CCCC1 ZINC000787245672 624991565 /nfs/dbraw/zinc/99/15/65/624991565.db2.gz KNPKDDIBLPCYLZ-CQSZACIVSA-N 0 3 317.351 3.450 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)CC(F)(F)F)C1CCCC1 ZINC000787245672 624991566 /nfs/dbraw/zinc/99/15/66/624991566.db2.gz KNPKDDIBLPCYLZ-CQSZACIVSA-N 0 3 317.351 3.450 20 10 DGCDHN CC(C)N(C)c1ccc(CNCc2ccc3c(c2)CCO3)cn1 ZINC000790955797 625721583 /nfs/dbraw/zinc/72/15/83/625721583.db2.gz ZSWKZEYNYOJIBC-UHFFFAOYSA-N 0 3 311.429 3.151 20 10 DGCDHN CCN1CCC([N@H+](C)Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792156786 625916408 /nfs/dbraw/zinc/91/64/08/625916408.db2.gz MRZKERAXEXDMGY-UHFFFAOYSA-N 0 3 300.805 3.101 20 10 DGCDHN CCN1CCC([N@@H+](C)Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792156786 625916414 /nfs/dbraw/zinc/91/64/14/625916414.db2.gz MRZKERAXEXDMGY-UHFFFAOYSA-N 0 3 300.805 3.101 20 10 DGCDHN CC(C)C[N@@H+]1CCC[C@@H](CNCc2cc(F)cc(F)c2[O-])C1 ZINC000883073514 625917056 /nfs/dbraw/zinc/91/70/56/625917056.db2.gz SAGIVFQELOCCJN-ZDUSSCGKSA-N 0 3 312.404 3.128 20 10 DGCDHN CC(C)C[N@H+]1CCC[C@@H](CNCc2cc(F)cc(F)c2[O-])C1 ZINC000883073514 625917063 /nfs/dbraw/zinc/91/70/63/625917063.db2.gz SAGIVFQELOCCJN-ZDUSSCGKSA-N 0 3 312.404 3.128 20 10 DGCDHN CCOc1ccc(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000792192990 625923028 /nfs/dbraw/zinc/92/30/28/625923028.db2.gz PGBPNIHGGHHJQR-GOEBONIOSA-N 0 3 307.434 3.428 20 10 DGCDHN CCOc1ccc(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000792192990 625923029 /nfs/dbraw/zinc/92/30/29/625923029.db2.gz PGBPNIHGGHHJQR-GOEBONIOSA-N 0 3 307.434 3.428 20 10 DGCDHN CC(C)CC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000796448947 626050683 /nfs/dbraw/zinc/05/06/83/626050683.db2.gz KVEONPYLSXVPHK-QZTJIDSGSA-N 0 3 321.461 3.170 20 10 DGCDHN CC(C)CC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000796448947 626050687 /nfs/dbraw/zinc/05/06/87/626050687.db2.gz KVEONPYLSXVPHK-QZTJIDSGSA-N 0 3 321.461 3.170 20 10 DGCDHN COc1ccc(CNCc2ccc(C[S@@](C)=O)cc2)cc1C ZINC000796526173 626058782 /nfs/dbraw/zinc/05/87/82/626058782.db2.gz JXSPRUMERNFASE-JOCHJYFZSA-N 0 3 317.454 3.172 20 10 DGCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000797604869 626159799 /nfs/dbraw/zinc/15/97/99/626159799.db2.gz JUEBBUKZYOUCDJ-FQEVSTJZSA-N 0 3 324.424 3.017 20 10 DGCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000797604869 626159801 /nfs/dbraw/zinc/15/98/01/626159801.db2.gz JUEBBUKZYOUCDJ-FQEVSTJZSA-N 0 3 324.424 3.017 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c([O-])c1 ZINC000800890141 626383041 /nfs/dbraw/zinc/38/30/41/626383041.db2.gz HHDIISLWVMFNIM-MRXNPFEDSA-N 0 3 313.397 3.274 20 10 DGCDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([O-])cs1)[NH+](C)C ZINC000807491710 626759023 /nfs/dbraw/zinc/75/90/23/626759023.db2.gz ADSRFQUZTUABJE-BLLLJJGKSA-N 0 3 318.442 3.183 20 10 DGCDHN COC[C@]1(C)CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000840105955 626763690 /nfs/dbraw/zinc/76/36/90/626763690.db2.gz HAKLUFXLEMRKKR-LJQANCHMSA-N 0 3 315.413 3.412 20 10 DGCDHN COC[C@]1(C)CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000840105955 626763694 /nfs/dbraw/zinc/76/36/94/626763694.db2.gz HAKLUFXLEMRKKR-LJQANCHMSA-N 0 3 315.413 3.412 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN(C)CC(F)(F)F)c1[O-] ZINC000808694462 626849714 /nfs/dbraw/zinc/84/97/14/626849714.db2.gz DGNFAYRIJUZWCN-JTQLQIEISA-N 0 3 324.774 3.499 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c1[O-] ZINC000808703781 626850898 /nfs/dbraw/zinc/85/08/98/626850898.db2.gz WFVHLNLOEZTETC-CHWSQXEVSA-N 0 3 323.820 3.449 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c1[O-] ZINC000808703782 626850930 /nfs/dbraw/zinc/85/09/30/626850930.db2.gz WFVHLNLOEZTETC-OLZOCXBDSA-N 0 3 323.820 3.449 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)c1[O-] ZINC000808706835 626851791 /nfs/dbraw/zinc/85/17/91/626851791.db2.gz VYUVASWAIVIZHU-ZHYXMNDGSA-N 0 3 303.855 3.162 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1[O-] ZINC000808705355 626851964 /nfs/dbraw/zinc/85/19/64/626851964.db2.gz FIXBVLFDVZZJLW-LLVKDONJSA-N 0 3 312.841 3.309 20 10 DGCDHN CCn1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1=O ZINC000808716397 626853114 /nfs/dbraw/zinc/85/31/14/626853114.db2.gz NGIQXQAWEWBAQM-LBPRGKRZSA-N 0 3 320.820 3.386 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1[O-] ZINC000808728064 626854250 /nfs/dbraw/zinc/85/42/50/626854250.db2.gz MMBXTNQVGZSORP-YGRLFVJLSA-N 0 3 305.324 3.325 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1[O-] ZINC000809665502 626934806 /nfs/dbraw/zinc/93/48/06/626934806.db2.gz VBXLBXRSYJEAHY-NSHDSACASA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1[O-] ZINC000809665502 626934809 /nfs/dbraw/zinc/93/48/09/626934809.db2.gz VBXLBXRSYJEAHY-NSHDSACASA-N 0 3 313.825 3.037 20 10 DGCDHN CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809749137 626946091 /nfs/dbraw/zinc/94/60/91/626946091.db2.gz KJQMFWSSYPCRKG-GFCCVEGCSA-N 0 3 309.381 3.085 20 10 DGCDHN CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809749137 626946094 /nfs/dbraw/zinc/94/60/94/626946094.db2.gz KJQMFWSSYPCRKG-GFCCVEGCSA-N 0 3 309.381 3.085 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000810252775 626993102 /nfs/dbraw/zinc/99/31/02/626993102.db2.gz JAGDGZACBXOBJP-JQWIXIFHSA-N 0 3 305.809 3.285 20 10 DGCDHN COc1cc(C)cc(CNCc2cc(C)ccc2O)c1OC ZINC000886169604 627116525 /nfs/dbraw/zinc/11/65/25/627116525.db2.gz BOAVDUIGZNZSBO-UHFFFAOYSA-N 0 3 301.386 3.316 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)c([O-])c1 ZINC000886676515 627187436 /nfs/dbraw/zinc/18/74/36/627187436.db2.gz IIHJHHFQNVBIJL-CZUORRHYSA-N 0 3 303.377 3.094 20 10 DGCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC000811512127 627285333 /nfs/dbraw/zinc/28/53/33/627285333.db2.gz DQEWURZJJPLOBU-AWEZNQCLSA-N 0 3 310.388 3.000 20 10 DGCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C1CC1 ZINC000811513842 627286235 /nfs/dbraw/zinc/28/62/35/627286235.db2.gz SGICBWBTWREUBM-GOSISDBHSA-N 0 3 318.436 3.283 20 10 DGCDHN CCC[N@H+](CC)C[C@@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000811520463 627287343 /nfs/dbraw/zinc/28/73/43/627287343.db2.gz PGRDDOXRMBDYPS-LLVKDONJSA-N 0 3 302.821 3.395 20 10 DGCDHN CCC[N@@H+](CC)C[C@@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000811520463 627287346 /nfs/dbraw/zinc/28/73/46/627287346.db2.gz PGRDDOXRMBDYPS-LLVKDONJSA-N 0 3 302.821 3.395 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([O-])c1 ZINC000811518811 627287409 /nfs/dbraw/zinc/28/74/09/627287409.db2.gz PEXSFYIWAVMKQO-MSOLQXFVSA-N 0 3 317.429 3.324 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([O-])c1 ZINC000811518811 627287412 /nfs/dbraw/zinc/28/74/12/627287412.db2.gz PEXSFYIWAVMKQO-MSOLQXFVSA-N 0 3 317.429 3.324 20 10 DGCDHN COc1cc(C)cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000811803400 627322378 /nfs/dbraw/zinc/32/23/78/627322378.db2.gz LFKCFKGWHWYGLR-CQSZACIVSA-N 0 3 321.808 3.006 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](c1ccccc1)C1CC1)OCO2 ZINC000814299187 627557022 /nfs/dbraw/zinc/55/70/22/627557022.db2.gz QQNVPQQKSVMAGD-INIZCTEOSA-N 0 3 311.381 3.404 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccc(F)cc1 ZINC000815055382 627619984 /nfs/dbraw/zinc/61/99/84/627619984.db2.gz YTBFCAOFMLZIBF-SFHVURJKSA-N 0 3 317.404 3.347 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccc(F)cc1 ZINC000815055382 627619985 /nfs/dbraw/zinc/61/99/85/627619985.db2.gz YTBFCAOFMLZIBF-SFHVURJKSA-N 0 3 317.404 3.347 20 10 DGCDHN CC[C@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1ccccc1[O-] ZINC000925853365 627806487 /nfs/dbraw/zinc/80/64/87/627806487.db2.gz INULGCWVLYLHKD-GXTWGEPZSA-N 0 3 302.340 3.117 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccc(C)cc1[O-] ZINC000817587289 627926609 /nfs/dbraw/zinc/92/66/09/627926609.db2.gz DKVOSHCBOAAZSB-HOCLYGCPSA-N 0 3 307.434 3.325 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000817942303 627968635 /nfs/dbraw/zinc/96/86/35/627968635.db2.gz NZNYXLPMOJJQBB-QZTJIDSGSA-N 0 3 313.445 3.199 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817941896 627968774 /nfs/dbraw/zinc/96/87/74/627968774.db2.gz SVYIAVYWXXFMHL-YPMHNXCESA-N 0 3 302.340 3.204 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC000926904084 627975335 /nfs/dbraw/zinc/97/53/35/627975335.db2.gz DODWSEYZSMIHAV-BZPMIXESSA-N 0 3 315.335 3.469 20 10 DGCDHN Cc1ccc([C@@H](C)NCc2cc(C(F)(F)F)nn2C)c(O)c1 ZINC000926929326 627984125 /nfs/dbraw/zinc/98/41/25/627984125.db2.gz UVZOEYBNHHEJSB-SNVBAGLBSA-N 0 3 313.323 3.304 20 10 DGCDHN C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1cc(F)ccc1[O-] ZINC000926930099 627984131 /nfs/dbraw/zinc/98/41/31/627984131.db2.gz FWDGUOSZHRXBML-SNVBAGLBSA-N 0 3 306.406 3.370 20 10 DGCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)n1 ZINC000927055627 628003698 /nfs/dbraw/zinc/00/36/98/628003698.db2.gz GLRLNZBOUDHOII-MCIONIFRSA-N 0 3 313.401 3.251 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000818238836 628007845 /nfs/dbraw/zinc/00/78/45/628007845.db2.gz OLOJUBPOEJMDNU-BZBKMWRSSA-N 0 3 312.207 3.051 20 10 DGCDHN C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(F)ccc1[O-] ZINC000927139965 628025106 /nfs/dbraw/zinc/02/51/06/628025106.db2.gz PGTDINPANLASTM-PDSMFRHLSA-N 0 3 301.361 3.230 20 10 DGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H](CO)C1 ZINC000927148991 628026869 /nfs/dbraw/zinc/02/68/69/628026869.db2.gz WLHZELPKWCVODX-LNLFQRSKSA-N 0 3 311.425 3.427 20 10 DGCDHN C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000927154866 628027544 /nfs/dbraw/zinc/02/75/44/628027544.db2.gz DZMJYFLIYBHYFN-IYJAJMOOSA-N 0 3 315.388 3.275 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530182 628461811 /nfs/dbraw/zinc/46/18/11/628461811.db2.gz SSZNFAREGFQJOB-GOSISDBHSA-N 0 3 317.429 3.182 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530182 628461813 /nfs/dbraw/zinc/46/18/13/628461813.db2.gz SSZNFAREGFQJOB-GOSISDBHSA-N 0 3 317.429 3.182 20 10 DGCDHN COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000825325369 628749839 /nfs/dbraw/zinc/74/98/39/628749839.db2.gz BRCQRKMCVDLYAB-LLVKDONJSA-N 0 3 307.340 3.400 20 10 DGCDHN CCN(CC)c1ccc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1F ZINC000827151573 628928795 /nfs/dbraw/zinc/92/87/95/628928795.db2.gz FYRMKHZBCHKSTQ-UOIKSKOESA-N 0 3 308.441 3.121 20 10 DGCDHN COc1cccc(O)c1CN[C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000827526140 628967846 /nfs/dbraw/zinc/96/78/46/628967846.db2.gz HKXBEHODUBRKQR-OALUTQOASA-N 0 3 315.413 3.249 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000827526140 628967848 /nfs/dbraw/zinc/96/78/48/628967848.db2.gz HKXBEHODUBRKQR-OALUTQOASA-N 0 3 315.413 3.249 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](OC)C2CCCC2)c1[O-] ZINC000827608446 628976259 /nfs/dbraw/zinc/97/62/59/628976259.db2.gz NEVJLMOGJOBKRC-HNNXBMFYSA-N 0 3 313.825 3.349 20 10 DGCDHN OCC1([C@H](NCc2ccc3c(c2)CCO3)c2ccncc2)CCC1 ZINC000827934658 629005349 /nfs/dbraw/zinc/00/53/49/629005349.db2.gz MTCUZNTUAPJVTO-LJQANCHMSA-N 0 3 324.424 3.010 20 10 DGCDHN CCOc1ccc(O)c(CN2Cc3c[nH]nc3CC(C)(C)C2)c1 ZINC000828014165 629014526 /nfs/dbraw/zinc/01/45/26/629014526.db2.gz VYUJHQOOHGCVQK-UHFFFAOYSA-N 0 3 315.417 3.099 20 10 DGCDHN COc1ccccc1OCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834566747 629729654 /nfs/dbraw/zinc/72/96/54/629729654.db2.gz RNVXRWLXIZPMNO-HNNXBMFYSA-N 0 3 313.397 3.447 20 10 DGCDHN COc1ccc(O[C@H](C)C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834606212 629738870 /nfs/dbraw/zinc/73/88/70/629738870.db2.gz GGJZAUQNXZPYRR-DYVFJYSZSA-N 0 3 313.397 3.445 20 10 DGCDHN CCNC(=O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000101589477 629742854 /nfs/dbraw/zinc/74/28/54/629742854.db2.gz ASDCCFFOWYFQQI-UHFFFAOYSA-N 0 3 320.477 3.213 20 10 DGCDHN C[S@@](=O)Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834799243 629782005 /nfs/dbraw/zinc/78/20/05/629782005.db2.gz XQNAJHBXLRGSHV-OPAMFIHVSA-N 0 3 315.438 3.048 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)CC2 ZINC000834802982 629782205 /nfs/dbraw/zinc/78/22/05/629782205.db2.gz HPUAYENINLTAJJ-ZBFHGGJFSA-N 0 3 317.816 3.399 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000834828371 629785130 /nfs/dbraw/zinc/78/51/30/629785130.db2.gz SINYZIFLFYPPSS-FUHWJXTLSA-N 0 3 317.404 3.484 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)[C@H](O)C(F)F ZINC000834875504 629795368 /nfs/dbraw/zinc/79/53/68/629795368.db2.gz QBVGVDJPIPGKHC-VHNNBMRFSA-N 0 3 303.324 3.074 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)ccc1[O-] ZINC000834890095 629798397 /nfs/dbraw/zinc/79/83/97/629798397.db2.gz CWXFBLWNFOGIMB-QITLCBANSA-N 0 3 316.376 3.497 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CCC(c3ccncn3)CC2)cc1 ZINC000840953195 630383219 /nfs/dbraw/zinc/38/32/19/630383219.db2.gz IMXRMRRITDQPTC-ONEGZZNKSA-N 0 3 322.456 3.435 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([O-])c1 ZINC000840956100 630385472 /nfs/dbraw/zinc/38/54/72/630385472.db2.gz AWWBLKDFEPLMET-AEFFLSMTSA-N 0 3 313.397 3.099 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([O-])c1 ZINC000840956100 630385474 /nfs/dbraw/zinc/38/54/74/630385474.db2.gz AWWBLKDFEPLMET-AEFFLSMTSA-N 0 3 313.397 3.099 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1[O-] ZINC000840960912 630385832 /nfs/dbraw/zinc/38/58/32/630385832.db2.gz NUFOFFIVFBKRLX-QFYYESIMSA-N 0 3 313.825 3.347 20 10 DGCDHN CCN(Cc1occc1C)Cc1cc(OC)c(OC)cc1O ZINC000840969663 630388274 /nfs/dbraw/zinc/38/82/74/630388274.db2.gz HMRPVAVYTWPUGN-UHFFFAOYSA-N 0 3 305.374 3.333 20 10 DGCDHN CCOCc1cc(CNCc2cc(C)cc(N)c2)ccc1OC ZINC000841070718 630404511 /nfs/dbraw/zinc/40/45/11/630404511.db2.gz HSIICCPZBSAXCK-UHFFFAOYSA-N 0 3 314.429 3.412 20 10 DGCDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301408 630425569 /nfs/dbraw/zinc/42/55/69/630425569.db2.gz NYKIPSDVMQPWHV-KSSFIOAISA-N 0 3 324.428 3.226 20 10 DGCDHN C[C@@H](N[C@H](CCO)c1ccccc1F)c1cc(F)ccc1O ZINC000842922350 630593628 /nfs/dbraw/zinc/59/36/28/630593628.db2.gz BNFVLKKGPBWXOO-BDJLRTHQSA-N 0 3 307.340 3.445 20 10 DGCDHN Cc1cc([O-])c(CN2CCC([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000843054602 630609366 /nfs/dbraw/zinc/60/93/66/630609366.db2.gz WBJACSURPFFTKZ-UHFFFAOYSA-N 0 3 308.853 3.318 20 10 DGCDHN CCn1cc(CN(Cc2cc(OC)ccc2O)C(C)C)cn1 ZINC000846056251 631208769 /nfs/dbraw/zinc/20/87/69/631208769.db2.gz RPYNPCRJTMUAPD-UHFFFAOYSA-N 0 3 303.406 3.028 20 10 DGCDHN COc1ccc(CN[C@H](C)c2cccc(OC)c2O)c(F)c1 ZINC000846153196 631212469 /nfs/dbraw/zinc/21/24/69/631212469.db2.gz HOVKNLQHXLJUOY-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cccc(OC)c2O)n[nH]1 ZINC000846167013 631213179 /nfs/dbraw/zinc/21/31/79/631213179.db2.gz QRPGHNGCGDBEKQ-TUAOUCFPSA-N 0 3 318.421 3.444 20 10 DGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H](CO)CCF ZINC000846210024 631214994 /nfs/dbraw/zinc/21/49/94/631214994.db2.gz WFFPZWYUZGWFSF-AEFFLSMTSA-N 0 3 317.404 3.376 20 10 DGCDHN C/C(=C/c1cccnc1)C(=O)N(CCN(C)C)c1ccccc1 ZINC000846842506 631325205 /nfs/dbraw/zinc/32/52/05/631325205.db2.gz YMVILHMEVRFPHS-PEZBUJJGSA-N 0 3 309.413 3.080 20 10 DGCDHN C/C(=C/c1cccnc1)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000846864818 631332686 /nfs/dbraw/zinc/33/26/86/631332686.db2.gz DXNFXYFQQPGZMQ-VHUCWBOISA-N 0 3 321.424 3.004 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CC1CCCC1)[C@H](O)CO2 ZINC000848505344 631671279 /nfs/dbraw/zinc/67/12/79/631671279.db2.gz IWISAMYOHHWDMJ-MAUKXSAKSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CC1CCCC1)[C@H](O)CO2 ZINC000848505344 631671283 /nfs/dbraw/zinc/67/12/83/631671283.db2.gz IWISAMYOHHWDMJ-MAUKXSAKSA-N 0 3 317.429 3.363 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1[O-] ZINC000848558309 631691982 /nfs/dbraw/zinc/69/19/82/631691982.db2.gz LGICOAGQZZSTMI-ZBEGNZNMSA-N 0 3 314.360 3.135 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000848566328 631695846 /nfs/dbraw/zinc/69/58/46/631695846.db2.gz VBKBWIPSKXSEFO-XEDJZSQJSA-N 0 3 313.372 3.328 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c([O-])c1 ZINC000848576286 631701568 /nfs/dbraw/zinc/70/15/68/631701568.db2.gz LWZSMGIFUPIOHB-INIZCTEOSA-N 0 3 305.418 3.372 20 10 DGCDHN CCc1cccc(CN2CCC[C@H](OCC(F)(F)F)C2)c1O ZINC000848882619 631769083 /nfs/dbraw/zinc/76/90/83/631769083.db2.gz VZLCDWQNYNHVLU-AWEZNQCLSA-N 0 3 317.351 3.498 20 10 DGCDHN COc1ccc(O)c(CNCc2cccc(OC3CC3)c2F)c1 ZINC000850137810 632063992 /nfs/dbraw/zinc/06/39/92/632063992.db2.gz WZIQLMWAZGNAPB-UHFFFAOYSA-N 0 3 317.360 3.371 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000850378279 632132050 /nfs/dbraw/zinc/13/20/50/632132050.db2.gz WPOKNXSLXLYFNJ-HOTGVXAUSA-N 0 3 313.397 3.063 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2c(C3CC3)cnn2C)cc1 ZINC000850379478 632132802 /nfs/dbraw/zinc/13/28/02/632132802.db2.gz QLBKOAPVOMOXHT-SNAWJCMRSA-N 0 3 310.445 3.167 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CC1(C(=O)OC(C)(C)C)CCC1 ZINC000850412565 632143923 /nfs/dbraw/zinc/14/39/23/632143923.db2.gz GPGPLGPKUMQQFD-UHFFFAOYSA-N 0 3 321.417 3.002 20 10 DGCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3cncs3)C2)cc1 ZINC000850488423 632168612 /nfs/dbraw/zinc/16/86/12/632168612.db2.gz MRHHIOCKKBTSBA-OLZOCXBDSA-N 0 3 303.431 3.081 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1[O-] ZINC000850500234 632172504 /nfs/dbraw/zinc/17/25/04/632172504.db2.gz DTGHJCARVDGUCN-DLBZAZTESA-N 0 3 324.424 3.329 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000850541153 632186643 /nfs/dbraw/zinc/18/66/43/632186643.db2.gz SMIQWOOIPHODIF-QILLFSRXSA-N 0 3 313.445 3.496 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000184789148 660186478 /nfs/dbraw/zinc/18/64/78/660186478.db2.gz CETKAZHHNRVLDK-SFHVURJKSA-N 0 3 315.388 3.304 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000184789148 660186480 /nfs/dbraw/zinc/18/64/80/660186480.db2.gz CETKAZHHNRVLDK-SFHVURJKSA-N 0 3 315.388 3.304 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)c([O-])c1 ZINC000185252745 660211447 /nfs/dbraw/zinc/21/14/47/660211447.db2.gz MTPYJOUTWIYSLH-OAHLLOKOSA-N 0 3 312.413 3.058 20 10 DGCDHN COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C2 ZINC000185334936 660215596 /nfs/dbraw/zinc/21/55/96/660215596.db2.gz LRPKKCKUJSHTPG-FZMZJTMJSA-N 0 3 317.360 3.194 20 10 DGCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000174007966 659409513 /nfs/dbraw/zinc/40/95/13/659409513.db2.gz SEXPYJUXNPIKLN-HZPDHXFCSA-N 0 3 311.429 3.330 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000174007945 659409774 /nfs/dbraw/zinc/40/97/74/659409774.db2.gz SEXPYJUXNPIKLN-CVEARBPZSA-N 0 3 311.429 3.330 20 10 DGCDHN C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000185647605 660235385 /nfs/dbraw/zinc/23/53/85/660235385.db2.gz OQWPFQXGJGXHNI-CYBMUJFWSA-N 0 3 320.383 3.453 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cc(F)ccc1[O-] ZINC000186230791 660350546 /nfs/dbraw/zinc/35/05/46/660350546.db2.gz CAVVEUFUNNVVMQ-OCCSQVGLSA-N 0 3 309.381 3.258 20 10 DGCDHN C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000701914413 660691514 /nfs/dbraw/zinc/69/15/14/660691514.db2.gz FPVZLLLBCOQPSA-OCCSQVGLSA-N 0 3 320.433 3.225 20 10 DGCDHN COc1cc(O)c(CN(C)Cc2ccc(F)cc2C)cc1OC ZINC000792708017 660980770 /nfs/dbraw/zinc/98/07/70/660980770.db2.gz RJLVMYNCWIDTEU-UHFFFAOYSA-N 0 3 319.376 3.489 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cnc3n2CCCC3)c2c1c(F)ccc2[O-] ZINC000793566236 661046361 /nfs/dbraw/zinc/04/63/61/661046361.db2.gz SPQDRZPCXPHACJ-SMDDNHRTSA-N 0 3 315.392 3.402 20 10 DGCDHN C[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cc(F)cc(F)c1[O-] ZINC000793576712 661047152 /nfs/dbraw/zinc/04/71/52/661047152.db2.gz YOWJPVJSXIQYBV-JTQLQIEISA-N 0 3 317.339 3.440 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2CCO)c1[O-] ZINC000793608057 661049220 /nfs/dbraw/zinc/04/92/20/661049220.db2.gz HMZPOQSOIRYUNT-AWEZNQCLSA-N 0 3 313.825 3.181 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2CCO)c1[O-] ZINC000793608057 661049223 /nfs/dbraw/zinc/04/92/23/661049223.db2.gz HMZPOQSOIRYUNT-AWEZNQCLSA-N 0 3 313.825 3.181 20 10 DGCDHN COc1cccc(O)c1CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793612064 661049826 /nfs/dbraw/zinc/04/98/26/661049826.db2.gz IZIKSCIWSROINQ-KGLIPLIRSA-N 0 3 316.228 3.417 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793612064 661049829 /nfs/dbraw/zinc/04/98/29/661049829.db2.gz IZIKSCIWSROINQ-KGLIPLIRSA-N 0 3 316.228 3.417 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793612064 661049830 /nfs/dbraw/zinc/04/98/30/661049830.db2.gz IZIKSCIWSROINQ-KGLIPLIRSA-N 0 3 316.228 3.417 20 10 DGCDHN C[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cc(F)cc(F)c1[O-] ZINC000793576714 661046966 /nfs/dbraw/zinc/04/69/66/661046966.db2.gz YOWJPVJSXIQYBV-SNVBAGLBSA-N 0 3 317.339 3.440 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(C)cc1[O-] ZINC000794794877 661105657 /nfs/dbraw/zinc/10/56/57/661105657.db2.gz RQOAHUCEXTUOOO-YJBOKZPZSA-N 0 3 315.413 3.181 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(C)cc1[O-] ZINC000794794875 661105734 /nfs/dbraw/zinc/10/57/34/661105734.db2.gz RQOAHUCEXTUOOO-MAUKXSAKSA-N 0 3 315.413 3.181 20 10 DGCDHN CC[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794802857 661106195 /nfs/dbraw/zinc/10/61/95/661106195.db2.gz OYJYUSDNPVXCMJ-NVXWUHKLSA-N 0 3 307.434 3.185 20 10 DGCDHN CC[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(C)cc1[O-] ZINC000794812557 661106730 /nfs/dbraw/zinc/10/67/30/661106730.db2.gz XECGYDGJJHPUAP-QGZVFWFLSA-N 0 3 312.413 3.083 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000794815727 661107119 /nfs/dbraw/zinc/10/71/19/661107119.db2.gz LDKMQLQDFWQSMV-WBVHZDCISA-N 0 3 319.445 3.470 20 10 DGCDHN CC[C@H]([NH2+][C@H](CC(=O)NC)c1ccccc1)c1ccccc1[O-] ZINC000795849700 661175789 /nfs/dbraw/zinc/17/57/89/661175789.db2.gz QCSJXJNRQWSBJS-DLBZAZTESA-N 0 3 312.413 3.310 20 10 DGCDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000161256854 655775601 /nfs/dbraw/zinc/77/56/01/655775601.db2.gz MIIVAVRJNRRVQY-MRXNPFEDSA-N 0 3 311.429 3.077 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000724912002 655827922 /nfs/dbraw/zinc/82/79/22/655827922.db2.gz GWYOWXFCOZZJSA-KBPBESRZSA-N 0 3 320.433 3.361 20 10 DGCDHN COc1ccc2ccc(O)c(CN3C[C@H](C)OC[C@@H]3C)c2c1 ZINC000026666621 656253725 /nfs/dbraw/zinc/25/37/25/656253725.db2.gz BRBIVJKQPFIOQF-STQMWFEESA-N 0 3 301.386 3.163 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000724943319 656530711 /nfs/dbraw/zinc/53/07/11/656530711.db2.gz NPUORPFEHXCHDU-OLZOCXBDSA-N 0 3 306.406 3.052 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(Cl)c1 ZINC000840945996 656580888 /nfs/dbraw/zinc/58/08/88/656580888.db2.gz FELNHNXLAMFXCT-CJNGLKHVSA-N 0 3 308.853 3.413 20 10 DGCDHN CCCN(CC(=O)N(C)[C@H](C)CC(C)C)Cc1ccccc1O ZINC000303129823 657517397 /nfs/dbraw/zinc/51/73/97/657517397.db2.gz BSGGWCYJNCWPKT-MRXNPFEDSA-N 0 3 320.477 3.497 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667788 657606396 /nfs/dbraw/zinc/60/63/96/657606396.db2.gz NYMJNZBFCOPNNC-OLZOCXBDSA-N 0 3 315.244 3.415 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667788 657606406 /nfs/dbraw/zinc/60/64/06/657606406.db2.gz NYMJNZBFCOPNNC-OLZOCXBDSA-N 0 3 315.244 3.415 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3C[C@H](C)O)c2c1 ZINC000305274154 657699332 /nfs/dbraw/zinc/69/93/32/657699332.db2.gz ZRMUCZXKQQXOJR-DZGCQCFKSA-N 0 3 315.413 3.289 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3C[C@H](C)O)c2c1 ZINC000305274154 657699335 /nfs/dbraw/zinc/69/93/35/657699335.db2.gz ZRMUCZXKQQXOJR-DZGCQCFKSA-N 0 3 315.413 3.289 20 10 DGCDHN Cc1ncccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000237352668 658357630 /nfs/dbraw/zinc/35/76/30/658357630.db2.gz DAFZLZYGPWYKPV-OAHLLOKOSA-N 0 3 311.429 3.077 20 10 DGCDHN COc1ccc(CNCc2ccc(N3CCCCC3)cc2)cn1 ZINC000237470737 658409562 /nfs/dbraw/zinc/40/95/62/658409562.db2.gz LJDUPBAGUIOJFZ-UHFFFAOYSA-N 0 3 311.429 3.370 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](SC)C2)c1[O-] ZINC000230935002 659357617 /nfs/dbraw/zinc/35/76/17/659357617.db2.gz QHPLAPLMDYHWSZ-RYUDHWBXSA-N 0 3 301.839 3.428 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000172932104 659364428 /nfs/dbraw/zinc/36/44/28/659364428.db2.gz CWBYJFDMEBYNOI-MRXNPFEDSA-N 0 3 324.424 3.000 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000172932104 659364432 /nfs/dbraw/zinc/36/44/32/659364432.db2.gz CWBYJFDMEBYNOI-MRXNPFEDSA-N 0 3 324.424 3.000 20 10 DGCDHN CN(C)c1ccc(CN(C)C(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000324320313 659656144 /nfs/dbraw/zinc/65/61/44/659656144.db2.gz UMCXEFFQYVRHSZ-GOSISDBHSA-N 0 3 317.477 3.009 20 10 DGCDHN CCN(CC)C(=O)C1([NH2+]Cc2cc(F)ccc2[O-])CCCCC1 ZINC000180404803 659961384 /nfs/dbraw/zinc/96/13/84/659961384.db2.gz KQNPFOXRMGDYPG-UHFFFAOYSA-N 0 3 322.424 3.192 20 10 DGCDHN COc1ccc(O)c(CN2CCOC3(C2)CCCCCC3)c1 ZINC000180547082 659965151 /nfs/dbraw/zinc/96/51/51/659965151.db2.gz JXBWTBFBYIUASU-UHFFFAOYSA-N 0 3 305.418 3.326 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1 ZINC000068973689 659970891 /nfs/dbraw/zinc/97/08/91/659970891.db2.gz BGKYKXYVSIHNFQ-KRWDZBQOSA-N 0 3 315.413 3.044 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1 ZINC000068973689 659970892 /nfs/dbraw/zinc/97/08/92/659970892.db2.gz BGKYKXYVSIHNFQ-KRWDZBQOSA-N 0 3 315.413 3.044 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000183633832 660128123 /nfs/dbraw/zinc/12/81/23/660128123.db2.gz JJXAZJNFMUQFJJ-IUODEOHRSA-N 0 3 320.433 3.346 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](O)CCOCc1ccccc1)c1ccccc1[O-] ZINC000931555591 661488240 /nfs/dbraw/zinc/48/82/40/661488240.db2.gz YXPCELQOIFNYBM-RDJZCZTQSA-N 0 3 315.413 3.011 20 10 DGCDHN COc1ccc([C@H]2CCCN2Cc2ccc(N(C)C)cc2)nc1 ZINC000934342953 661699522 /nfs/dbraw/zinc/69/95/22/661699522.db2.gz FBOLLIFLIZCVDB-LJQANCHMSA-N 0 3 311.429 3.493 20 10 DGCDHN CC[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccccc1[O-] ZINC000155961091 661855651 /nfs/dbraw/zinc/85/56/51/661855651.db2.gz AMSDEUQNKPFTQV-QGZVFWFLSA-N 0 3 307.434 3.266 20 10 DGCDHN C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000188519559 661934083 /nfs/dbraw/zinc/93/40/83/661934083.db2.gz WBJHJSFVNCFZOT-GFCCVEGCSA-N 0 3 316.367 3.317 20 10 DGCDHN CC(C)(C)c1cc(CNC2(C(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000191488779 662069135 /nfs/dbraw/zinc/06/91/35/662069135.db2.gz AHRCSHBGGZMCPI-UHFFFAOYSA-N 0 3 318.461 3.095 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c([O-])c1 ZINC000192902469 662115304 /nfs/dbraw/zinc/11/53/04/662115304.db2.gz VCDFDXVICOPTTA-AWEZNQCLSA-N 0 3 313.397 3.365 20 10 DGCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C[C@@H](C)OC ZINC000383337928 685166183 /nfs/dbraw/zinc/16/61/83/685166183.db2.gz HAUXVBMXDKEVEG-LLVKDONJSA-N 0 3 316.239 3.320 20 10 DGCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C[C@@H](C)OC ZINC000383337928 685166191 /nfs/dbraw/zinc/16/61/91/685166191.db2.gz HAUXVBMXDKEVEG-LLVKDONJSA-N 0 3 316.239 3.320 20 10 DGCDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000393845037 685219066 /nfs/dbraw/zinc/21/90/66/685219066.db2.gz CLTXCVYNUUYLAO-RDTXWAMCSA-N 0 3 324.428 3.053 20 10 DGCDHN CC[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000397788721 685232105 /nfs/dbraw/zinc/23/21/05/685232105.db2.gz AABMZCCFBRUTSL-OAHLLOKOSA-N 0 3 320.433 3.300 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000397858750 685233266 /nfs/dbraw/zinc/23/32/66/685233266.db2.gz DGTVJMDMOSDETP-ZDUSSCGKSA-N 0 3 320.433 3.218 20 10 DGCDHN CC[C@@H](C)C[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001576972540 1191877815 /nfs/dbraw/zinc/87/78/15/1191877815.db2.gz VWXBLBPIMJIDKM-RDTXWAMCSA-N 0 3 317.477 3.007 20 10 DGCDHN Cc1c(Br)cncc1CNCc1ccc(N)cc1 ZINC001579520098 1191978529 /nfs/dbraw/zinc/97/85/29/1191978529.db2.gz WSCACKBEWATRFQ-UHFFFAOYSA-N 0 3 306.207 3.025 20 10 DGCDHN CCc1ccc2c(c1)CCN2C(=O)c1cccc2c1CCNC2 ZINC001341546701 1179026162 /nfs/dbraw/zinc/02/61/62/1179026162.db2.gz KGLJYBOMUKKAHZ-UHFFFAOYSA-N 0 3 306.409 3.098 20 10 DGCDHN CC(C)OC(=O)C[C@H](NCc1ccc(N)cc1)c1ccccc1 ZINC001345159283 1179535963 /nfs/dbraw/zinc/53/59/63/1179535963.db2.gz FCOCRXCDRMUYKR-SFHVURJKSA-N 0 3 312.413 3.441 20 10 DGCDHN CCC[NH+](CCC)CCCNCc1cc(F)cc(F)c1[O-] ZINC001473909299 1183825700 /nfs/dbraw/zinc/82/57/00/1183825700.db2.gz XLMWRLNTNHOXDU-UHFFFAOYSA-N 0 3 300.393 3.272 20 10 DGCDHN CN(C)c1ccc(CN(C)C[C@H]2C[C@]2(C)Br)cc1 ZINC001474307432 1183902552 /nfs/dbraw/zinc/90/25/52/1183902552.db2.gz LXNVTJNSUGXOEJ-HIFRSBDPSA-N 0 3 311.267 3.358 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c([O-])c1 ZINC001474497816 1183931926 /nfs/dbraw/zinc/93/19/26/1183931926.db2.gz WMXFRKNGLHMGOS-OXJNMPFZSA-N 0 3 313.441 3.420 20 10 DGCDHN CC[C@@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001616858752 1193549612 /nfs/dbraw/zinc/54/96/12/1193549612.db2.gz SLEUARWQWJGAPT-QAPCUYQASA-N 0 3 319.493 3.298 20 10 DGCDHN CCN(CC)c1ccc(CNCc2ccc3nonc3c2)cc1 ZINC001560612541 1189347875 /nfs/dbraw/zinc/34/78/75/1189347875.db2.gz PGWJITKTLHMHHE-UHFFFAOYSA-N 0 3 310.401 3.359 20 10 DGCDHN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001560679235 1189359305 /nfs/dbraw/zinc/35/93/05/1189359305.db2.gz GYLQPKSCKBTJSQ-DOTOQJQBSA-N 0 3 318.461 3.217 20 10 DGCDHN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001560679235 1189359311 /nfs/dbraw/zinc/35/93/11/1189359311.db2.gz GYLQPKSCKBTJSQ-DOTOQJQBSA-N 0 3 318.461 3.217 20 10 DGCDHN CC[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@H]1CCCCO1 ZINC001651269064 1195435834 /nfs/dbraw/zinc/43/58/34/1195435834.db2.gz JEEKVIHYIJONNP-DOTOQJQBSA-N 0 3 312.404 3.468 20 10 DGCDHN CC[NH+](CC)CC[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC001651705781 1195498844 /nfs/dbraw/zinc/49/88/44/1195498844.db2.gz BXUIFSPDBWGAII-LLVKDONJSA-N 0 3 302.821 3.395 20 10 DGCDHN [NH3+]CCN(Cc1cccc(F)c1[O-])c1ccc2ccccc2n1 ZINC001652678397 1195635387 /nfs/dbraw/zinc/63/53/87/1195635387.db2.gz RFKCYYHZUZEWDV-UHFFFAOYSA-N 0 3 311.360 3.045 20 10 DGCDHN CC(C)[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001653280274 1195706746 /nfs/dbraw/zinc/70/67/46/1195706746.db2.gz ACJXTVSFZWYILN-SFHVURJKSA-N 0 3 315.413 3.078 20 10 DGCDHN CC(C)c1ccc(O)c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC001657921108 1196194238 /nfs/dbraw/zinc/19/42/38/1196194238.db2.gz PDBDKSHZDRKEGH-DNVCBOLYSA-N 0 3 319.445 3.286 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H](C)Cc2ccccc2OC)c([O-])c1 ZINC001657946707 1196195614 /nfs/dbraw/zinc/19/56/14/1196195614.db2.gz ZHGXVSFVKBVQEX-AWEZNQCLSA-N 0 3 315.413 3.439 20 10 DGCDHN Cc1cc(CNCCc2cc(C)n(-c3ccccc3)c2C)nn1C ZINC001658388043 1196250573 /nfs/dbraw/zinc/25/05/73/1196250573.db2.gz ULMXDAQPQFPLLF-UHFFFAOYSA-N 0 3 322.456 3.468 20 10 DGCDHN COc1cc(C)c(CNCc2cc(C)cc(Cl)n2)c(O)c1 ZINC001659564105 1196396274 /nfs/dbraw/zinc/39/62/74/1196396274.db2.gz JIMNSKFOIOUSDV-UHFFFAOYSA-N 0 3 306.793 3.356 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H]2CCC23CCOCC3)c([O-])c1 ZINC001659858462 1196421958 /nfs/dbraw/zinc/42/19/58/1196421958.db2.gz DGAOXKSDOPGLFI-CQSZACIVSA-N 0 3 305.418 3.006 20 10 DGCDHN COc1cc(CNCc2ccc3c(c2)CCO3)c2ccccc2n1 ZINC001661590974 1196622587 /nfs/dbraw/zinc/62/25/87/1196622587.db2.gz YQEMRIGUIPBACJ-UHFFFAOYSA-N 0 3 320.392 3.468 20 10 DGCDHN O[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001661754222 1196641091 /nfs/dbraw/zinc/64/10/91/1196641091.db2.gz ANAWNHHENSVCBN-WOJBJXKFSA-N 0 3 308.425 3.035 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@@]1(CO)CCc2ccccc21 ZINC001661975568 1196667993 /nfs/dbraw/zinc/66/79/93/1196667993.db2.gz PZPMCYHSDPOSPL-OAQYLSRUSA-N 0 3 320.436 3.410 20 10 DGCDHN COC(=O)c1c(CN2C[C@@H](C)C[C@H]2C)c2cc(F)ccc2n1C ZINC001663591960 1196909597 /nfs/dbraw/zinc/90/95/97/1196909597.db2.gz YCJNATRBAMNENZ-NWDGAFQWSA-N 0 3 318.392 3.334 20 10 DGCDHN CC(C)c1ccc(O)c(CN2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001664305870 1196988416 /nfs/dbraw/zinc/98/84/16/1196988416.db2.gz ROUKEHOVVUXBDC-CQSZACIVSA-N 0 3 303.324 3.015 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@](C)(OC)c2ccccc2)c([O-])c1 ZINC001664766642 1197055140 /nfs/dbraw/zinc/05/51/40/1197055140.db2.gz QZODPQFYUJPHIL-IBGZPJMESA-N 0 3 315.413 3.361 20 10 DGCDHN COC(=O)c1ccc(Cl)c(CNCc2cc(C)ccc2O)c1 ZINC001665277250 1197117798 /nfs/dbraw/zinc/11/77/98/1197117798.db2.gz LTARMQXQROJGKT-UHFFFAOYSA-N 0 3 319.788 3.430 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c([O-])c1 ZINC001665795435 1197199385 /nfs/dbraw/zinc/19/93/85/1197199385.db2.gz FUKHILOCXLZKNO-CQSZACIVSA-N 0 3 305.418 3.291 20 10 DGCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000093507965 1198701475 /nfs/dbraw/zinc/70/14/75/1198701475.db2.gz IXYAUFMXSOWPLR-UHFFFAOYSA-N 0 3 306.425 3.283 20 10 DGCDHN CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000165048269 1203731097 /nfs/dbraw/zinc/73/10/97/1203731097.db2.gz YNCATTKFEWRDBZ-HNNXBMFYSA-N 0 3 313.397 3.463 20 10 DGCDHN CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000165048269 1203731098 /nfs/dbraw/zinc/73/10/98/1203731098.db2.gz YNCATTKFEWRDBZ-HNNXBMFYSA-N 0 3 313.397 3.463 20 10 DGCDHN COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001170297148 1082338743 /nfs/dbraw/zinc/33/87/43/1082338743.db2.gz KPVMTMFPGVMXLX-GFCCVEGCSA-N 0 3 316.357 3.030 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c([O-])c1 ZINC001183673280 1083995714 /nfs/dbraw/zinc/99/57/14/1083995714.db2.gz PQZWUNGZTQKRSR-ZDUSSCGKSA-N 0 3 318.442 3.464 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c([O-])c1 ZINC001183673280 1083995722 /nfs/dbraw/zinc/99/57/22/1083995722.db2.gz PQZWUNGZTQKRSR-ZDUSSCGKSA-N 0 3 318.442 3.464 20 10 DGCDHN COc1ccc(C[N@@H+]2CCCc3ccc(OC)cc3C2)c([O-])c1 ZINC001203634362 1084619161 /nfs/dbraw/zinc/61/91/61/1084619161.db2.gz BFMZTBCOCOVNEJ-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN COc1ccc(C[N@H+]2CCCc3ccc(OC)cc3C2)c([O-])c1 ZINC001203634362 1084619164 /nfs/dbraw/zinc/61/91/64/1084619164.db2.gz BFMZTBCOCOVNEJ-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN Cc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c([O-])c1 ZINC001658751744 1126262930 /nfs/dbraw/zinc/26/29/30/1126262930.db2.gz NOIFORLNDQQXGY-SFHVURJKSA-N 0 3 319.832 3.437 20 10 DGCDHN CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272619351 1088325219 /nfs/dbraw/zinc/32/52/19/1088325219.db2.gz VBMAPABMYPHLPN-DNVCBOLYSA-N 0 3 316.445 3.148 20 10 DGCDHN CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272619351 1088325236 /nfs/dbraw/zinc/32/52/36/1088325236.db2.gz VBMAPABMYPHLPN-DNVCBOLYSA-N 0 3 316.445 3.148 20 10 DGCDHN CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214122 1088712339 /nfs/dbraw/zinc/71/23/39/1088712339.db2.gz QJICGBZQINHIKP-CHWSQXEVSA-N 0 3 303.233 3.401 20 10 DGCDHN Nc1cc[nH+]c(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001157724409 1090088312 /nfs/dbraw/zinc/08/83/12/1090088312.db2.gz OMNBGMLJRPFFOO-UHFFFAOYSA-N 0 3 300.749 3.183 20 10 DGCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272765420 1090561142 /nfs/dbraw/zinc/56/11/42/1090561142.db2.gz HXQZRBHYKAJIFV-DJIMGWMZSA-N 0 3 316.445 3.064 20 10 DGCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272765420 1090561148 /nfs/dbraw/zinc/56/11/48/1090561148.db2.gz HXQZRBHYKAJIFV-DJIMGWMZSA-N 0 3 316.445 3.064 20 10 DGCDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2[O-])C1 ZINC001203558557 1090614506 /nfs/dbraw/zinc/61/45/06/1090614506.db2.gz MVNAEWFGALSTSK-UKRRQHHQSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC001203558557 1090614510 /nfs/dbraw/zinc/61/45/10/1090614510.db2.gz MVNAEWFGALSTSK-UKRRQHHQSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001203550090 1090752831 /nfs/dbraw/zinc/75/28/31/1090752831.db2.gz HGUYLMOUXFBZFY-CQSZACIVSA-N 0 3 320.433 3.224 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001203550090 1090752833 /nfs/dbraw/zinc/75/28/33/1090752833.db2.gz HGUYLMOUXFBZFY-CQSZACIVSA-N 0 3 320.433 3.224 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001204283039 1090938775 /nfs/dbraw/zinc/93/87/75/1090938775.db2.gz XPSKSJUJXJPWFF-INIZCTEOSA-N 0 3 301.361 3.444 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001204283039 1090938778 /nfs/dbraw/zinc/93/87/78/1090938778.db2.gz XPSKSJUJXJPWFF-INIZCTEOSA-N 0 3 301.361 3.444 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001204283040 1090939654 /nfs/dbraw/zinc/93/96/54/1090939654.db2.gz XPSKSJUJXJPWFF-MRXNPFEDSA-N 0 3 301.361 3.444 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001204283040 1090939658 /nfs/dbraw/zinc/93/96/58/1090939658.db2.gz XPSKSJUJXJPWFF-MRXNPFEDSA-N 0 3 301.361 3.444 20 10 DGCDHN COc1cc(CN2CCC[C@H](c3ccccc3)C2)cc(O)c1O ZINC001204341670 1090951410 /nfs/dbraw/zinc/95/14/10/1090951410.db2.gz FKUXQGVOIMHUIN-INIZCTEOSA-N 0 3 313.397 3.486 20 10 DGCDHN CN1CCCc2cc(CN3CCN(c4ccccc4)CC3)ccc21 ZINC001138354062 1091150615 /nfs/dbraw/zinc/15/06/15/1091150615.db2.gz TWRVWMGHISORBY-UHFFFAOYSA-N 0 3 321.468 3.391 20 10 DGCDHN CN1CCCc2cc(CN3CC[C@]4(C3)CC(F)(F)CO4)ccc21 ZINC001138356292 1091150962 /nfs/dbraw/zinc/15/09/62/1091150962.db2.gz JPMCPTARSDCEFM-QGZVFWFLSA-N 0 3 322.399 3.069 20 10 DGCDHN CCCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@H]2OC)cc1C ZINC001205298573 1091171070 /nfs/dbraw/zinc/17/10/70/1091171070.db2.gz GLTQKQOBTMZWFL-NXHRZFHOSA-N 0 3 307.434 3.066 20 10 DGCDHN C[C@@]1(F)CCCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495337 1091206661 /nfs/dbraw/zinc/20/66/61/1091206661.db2.gz HSSLBLXKGJPIFN-GOSISDBHSA-N 0 3 306.425 3.237 20 10 DGCDHN COCC1(C2CC2)CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001119304645 1091433398 /nfs/dbraw/zinc/43/33/98/1091433398.db2.gz WGZSGXONJIGDIH-UHFFFAOYSA-N 0 3 300.446 3.145 20 10 DGCDHN N[C@@]1(C(F)(F)F)CCN(Cc2cc3ccccc3cc2O)C1 ZINC001206245123 1091548018 /nfs/dbraw/zinc/54/80/18/1091548018.db2.gz QMCXDHIMTDLVDG-HNNXBMFYSA-N 0 3 310.319 3.011 20 10 DGCDHN N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206245123 1091548028 /nfs/dbraw/zinc/54/80/28/1091548028.db2.gz QMCXDHIMTDLVDG-HNNXBMFYSA-N 0 3 310.319 3.011 20 10 DGCDHN N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001206245123 1091548035 /nfs/dbraw/zinc/54/80/35/1091548035.db2.gz QMCXDHIMTDLVDG-HNNXBMFYSA-N 0 3 310.319 3.011 20 10 DGCDHN CC(C)(C)OC(=O)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140058495 1091751588 /nfs/dbraw/zinc/75/15/88/1091751588.db2.gz CUSXXZLZAWCHNH-UHFFFAOYSA-N 0 3 323.408 3.475 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001140056058 1091752638 /nfs/dbraw/zinc/75/26/38/1091752638.db2.gz GLVLHWFRBULIJL-IYBDPMFKSA-N 0 3 312.388 3.100 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001140056058 1091752647 /nfs/dbraw/zinc/75/26/47/1091752647.db2.gz GLVLHWFRBULIJL-IYBDPMFKSA-N 0 3 312.388 3.100 20 10 DGCDHN CC(C)OCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001206992547 1091814194 /nfs/dbraw/zinc/81/41/94/1091814194.db2.gz XAABKNQJOREDSZ-UHFFFAOYSA-N 0 3 315.413 3.486 20 10 DGCDHN CCN(CC)c1ccc(CN2CCc3cccnc3C2)c(O)c1 ZINC001140857099 1092032739 /nfs/dbraw/zinc/03/27/39/1092032739.db2.gz LVDPEEANMGZUHL-UHFFFAOYSA-N 0 3 311.429 3.192 20 10 DGCDHN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140948014 1092076108 /nfs/dbraw/zinc/07/61/08/1092076108.db2.gz PQPNTLGNFCMGFF-GOSISDBHSA-N 0 3 305.418 3.256 20 10 DGCDHN CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140948014 1092076117 /nfs/dbraw/zinc/07/61/17/1092076117.db2.gz PQPNTLGNFCMGFF-GOSISDBHSA-N 0 3 305.418 3.256 20 10 DGCDHN Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)c1 ZINC001140954238 1092078827 /nfs/dbraw/zinc/07/88/27/1092078827.db2.gz NSNCOOCOVJXASX-QGZVFWFLSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)c1 ZINC001140954238 1092078837 /nfs/dbraw/zinc/07/88/37/1092078837.db2.gz NSNCOOCOVJXASX-QGZVFWFLSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001140954785 1092079506 /nfs/dbraw/zinc/07/95/06/1092079506.db2.gz ZAGRDKZEIYDHEF-QGZVFWFLSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001140954785 1092079512 /nfs/dbraw/zinc/07/95/12/1092079512.db2.gz ZAGRDKZEIYDHEF-QGZVFWFLSA-N 0 3 312.413 3.447 20 10 DGCDHN COc1ccc(N2CCN(CC[C@@H](C)SC)CC2)c(C)c1 ZINC001208149999 1092221788 /nfs/dbraw/zinc/22/17/88/1092221788.db2.gz OPQUMOHVYRNFLU-OAHLLOKOSA-N 0 3 308.491 3.267 20 10 DGCDHN CCOC(=O)c1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001142599195 1092509257 /nfs/dbraw/zinc/50/92/57/1092509257.db2.gz CSNYYBLTFKSWOI-UHFFFAOYSA-N 0 3 311.381 3.127 20 10 DGCDHN CCOC(=O)c1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001142599195 1092509269 /nfs/dbraw/zinc/50/92/69/1092509269.db2.gz CSNYYBLTFKSWOI-UHFFFAOYSA-N 0 3 311.381 3.127 20 10 DGCDHN CCOC(=O)c1ccc(CN2CCc3cccc(O)c3C2)cc1 ZINC001142599195 1092509282 /nfs/dbraw/zinc/50/92/82/1092509282.db2.gz CSNYYBLTFKSWOI-UHFFFAOYSA-N 0 3 311.381 3.127 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc2nccn2c1 ZINC001143033643 1092606700 /nfs/dbraw/zinc/60/67/00/1092606700.db2.gz BFLYGFQVWDOLLT-UHFFFAOYSA-N 0 3 308.429 3.422 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[NH2+]C[C@H](F)C2)cc1Cl ZINC001210610304 1093225890 /nfs/dbraw/zinc/22/58/90/1093225890.db2.gz MKLJOTHIVVKIBR-LBPRGKRZSA-N 0 3 314.832 3.086 20 10 DGCDHN [O-]c1cc(Cl)c(F)cc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320355 1095549915 /nfs/dbraw/zinc/54/99/15/1095549915.db2.gz HDLBVQWEDRJQTA-MRXNPFEDSA-N 0 3 312.816 3.293 20 10 DGCDHN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320763 1095550377 /nfs/dbraw/zinc/55/03/77/1095550377.db2.gz MSJNKVOGHHEIHG-MRXNPFEDSA-N 0 3 312.816 3.293 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)c1[O-] ZINC001116583659 1095606622 /nfs/dbraw/zinc/60/66/22/1095606622.db2.gz NDZMJHLLLGQKAG-ZIAGYGMSSA-N 0 3 312.841 3.017 20 10 DGCDHN CC(C)[C@H](O)C(C)(C)CNCc1cc(F)c(N(C)C)cc1F ZINC001118851761 1096092013 /nfs/dbraw/zinc/09/20/13/1096092013.db2.gz DJJBTCXBESFDIS-INIZCTEOSA-N 0 3 314.420 3.164 20 10 DGCDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1[O-] ZINC001172971888 1097295179 /nfs/dbraw/zinc/29/51/79/1097295179.db2.gz RDTSXGPMRMSBNZ-CQSZACIVSA-N 0 3 322.449 3.470 20 10 DGCDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1[O-] ZINC001172971888 1097295185 /nfs/dbraw/zinc/29/51/85/1097295185.db2.gz RDTSXGPMRMSBNZ-CQSZACIVSA-N 0 3 322.449 3.470 20 10 DGCDHN NC(=O)CC1CCC2(CC1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277440853 1097432355 /nfs/dbraw/zinc/43/23/55/1097432355.db2.gz GFHJORAJYPGEPD-UHFFFAOYSA-N 0 3 316.445 3.040 20 10 DGCDHN COC(=O)c1ccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001173712694 1097500728 /nfs/dbraw/zinc/50/07/28/1097500728.db2.gz TUNCBKKXAOWRAI-UONOGXRCSA-N 0 3 313.397 3.461 20 10 DGCDHN COc1ccc(Br)c(CN2CCC(C)CC2)c1O ZINC001231546925 1097777176 /nfs/dbraw/zinc/77/71/76/1097777176.db2.gz CPHQVLZTFSHBBG-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1ccc(Br)c(C[NH+]2CCC(C)CC2)c1[O-] ZINC001231546925 1097777175 /nfs/dbraw/zinc/77/71/75/1097777175.db2.gz CPHQVLZTFSHBBG-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231589593 1097785444 /nfs/dbraw/zinc/78/54/44/1097785444.db2.gz MCLZBNBTKRTEMQ-QWQRMKEZSA-N 0 3 311.381 3.071 20 10 DGCDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231589593 1097785446 /nfs/dbraw/zinc/78/54/46/1097785446.db2.gz MCLZBNBTKRTEMQ-QWQRMKEZSA-N 0 3 311.381 3.071 20 10 DGCDHN Cc1cccc(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)c1O ZINC001231591294 1097786993 /nfs/dbraw/zinc/78/69/93/1097786993.db2.gz ZQTMFJZHZQGOHZ-AWEZNQCLSA-N 0 3 307.390 3.227 20 10 DGCDHN Cc1cc(C)c(CN2CCN(c3ncccc3C)CC2)c(O)c1 ZINC001231843305 1097860822 /nfs/dbraw/zinc/86/08/22/1097860822.db2.gz VIIYHMHFUMNFNT-UHFFFAOYSA-N 0 3 311.429 3.035 20 10 DGCDHN COc1cc(N(C)C)ccc1CN1CCc2ccccc2CC1 ZINC001231853714 1097865212 /nfs/dbraw/zinc/86/52/12/1097865212.db2.gz OTRKBUAHTFYHJY-UHFFFAOYSA-N 0 3 310.441 3.362 20 10 DGCDHN CCN(Cc1cnc(-c2cccnc2)o1)Cc1ccccc1O ZINC001232132883 1097945263 /nfs/dbraw/zinc/94/52/63/1097945263.db2.gz BLTRQUMYIXTHIZ-UHFFFAOYSA-N 0 3 309.369 3.464 20 10 DGCDHN Oc1cc(CN2CCC[C@@H]2Cc2ccc(F)cc2)cc(O)c1O ZINC001233017593 1098204429 /nfs/dbraw/zinc/20/44/29/1098204429.db2.gz HTIJLXJXSUNQAJ-OAHLLOKOSA-N 0 3 317.360 3.150 20 10 DGCDHN CCOC(=O)c1c(CN2CCC[C@@H]2C)c2ccccc2n1C ZINC001233270647 1098269919 /nfs/dbraw/zinc/26/99/19/1098269919.db2.gz VIXDCBPHSOZAKE-ZDUSSCGKSA-N 0 3 300.402 3.339 20 10 DGCDHN COC(=O)/C=C/c1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC001233299909 1098281210 /nfs/dbraw/zinc/28/12/10/1098281210.db2.gz UHHAVCVZMDVWRV-VAWYXSNFSA-N 0 3 311.381 3.210 20 10 DGCDHN COC(=O)/C=C/c1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC001233299909 1098281212 /nfs/dbraw/zinc/28/12/12/1098281212.db2.gz UHHAVCVZMDVWRV-VAWYXSNFSA-N 0 3 311.381 3.210 20 10 DGCDHN [O-]c1c(C[N@@H+]2CCC[C@]23CCOC3)cccc1OC(F)(F)F ZINC001233768179 1098427516 /nfs/dbraw/zinc/42/75/16/1098427516.db2.gz LNVCXFDPWVWVDI-CQSZACIVSA-N 0 3 317.307 3.046 20 10 DGCDHN [O-]c1c(C[N@H+]2CCC[C@]23CCOC3)cccc1OC(F)(F)F ZINC001233768179 1098427517 /nfs/dbraw/zinc/42/75/17/1098427517.db2.gz LNVCXFDPWVWVDI-CQSZACIVSA-N 0 3 317.307 3.046 20 10 DGCDHN CO[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@H](C)C1 ZINC001233776171 1098429160 /nfs/dbraw/zinc/42/91/60/1098429160.db2.gz MCGAKZNYWLHKQB-PWSUYJOCSA-N 0 3 319.323 3.290 20 10 DGCDHN CO[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@H](C)C1 ZINC001233776171 1098429161 /nfs/dbraw/zinc/42/91/61/1098429161.db2.gz MCGAKZNYWLHKQB-PWSUYJOCSA-N 0 3 319.323 3.290 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(COC4)CC3)c2c1 ZINC001234518050 1098576895 /nfs/dbraw/zinc/57/68/95/1098576895.db2.gz BHAXLNABNHMKJF-UHFFFAOYSA-N 0 3 313.397 3.166 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@](C)(O)[C@@H](C)C3)c2c1 ZINC001234526251 1098581182 /nfs/dbraw/zinc/58/11/82/1098581182.db2.gz RMXBERSNCNWRHF-ORAYPTAESA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@](C)(O)[C@@H](C)C3)c2c1 ZINC001234526251 1098581188 /nfs/dbraw/zinc/58/11/88/1098581188.db2.gz RMXBERSNCNWRHF-ORAYPTAESA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3CC4(C3)CCOCC4)c2c1 ZINC001234553158 1098595884 /nfs/dbraw/zinc/59/58/84/1098595884.db2.gz XNKGIXQNKDEYRI-UHFFFAOYSA-N 0 3 313.397 3.166 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@]34CCOC4)c2c1 ZINC001234562967 1098601514 /nfs/dbraw/zinc/60/15/14/1098601514.db2.gz YZCIWPMETCJFLP-IBGZPJMESA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@]34CCOC4)c2c1 ZINC001234562967 1098601515 /nfs/dbraw/zinc/60/15/15/1098601515.db2.gz YZCIWPMETCJFLP-IBGZPJMESA-N 0 3 313.397 3.309 20 10 DGCDHN COc1cc(C)c(CNCc2ccc(N(C)C)cc2C)c(C)n1 ZINC001177804417 1098619474 /nfs/dbraw/zinc/61/94/74/1098619474.db2.gz OKOPCPCVSIDMKR-UHFFFAOYSA-N 0 3 313.445 3.371 20 10 DGCDHN CCN1CCN(c2ccc(OC[C@@H]3CCC(C)(C)O3)cc2)CC1 ZINC001234657942 1098634736 /nfs/dbraw/zinc/63/47/36/1098634736.db2.gz NJTSRITYHHQZDD-SFHVURJKSA-N 0 3 318.461 3.165 20 10 DGCDHN [O-]c1c(C[NH+]2CCN(CCF)CC2)cccc1-c1ccccc1 ZINC001234996894 1098740925 /nfs/dbraw/zinc/74/09/25/1098740925.db2.gz PCJQQAHLQKTUFV-UHFFFAOYSA-N 0 3 314.404 3.146 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001235258994 1098931805 /nfs/dbraw/zinc/93/18/05/1098931805.db2.gz UKLMBFSOCHLDOZ-SWLSCSKDSA-N 0 3 308.853 3.137 20 10 DGCDHN COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678680 1099122172 /nfs/dbraw/zinc/12/21/72/1099122172.db2.gz KTJJSXGMOBAGEF-AWEZNQCLSA-N 0 3 319.445 3.465 20 10 DGCDHN COC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678680 1099122177 /nfs/dbraw/zinc/12/21/77/1099122177.db2.gz KTJJSXGMOBAGEF-AWEZNQCLSA-N 0 3 319.445 3.465 20 10 DGCDHN CC(C)(C)c1ccc(C[NH+]2CCC(n3cnnc3)CC2)c([O-])c1 ZINC001235678625 1099122218 /nfs/dbraw/zinc/12/22/18/1099122218.db2.gz JRZJJTRBMDAAFO-UHFFFAOYSA-N 0 3 314.433 3.118 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235735583 1099154072 /nfs/dbraw/zinc/15/40/72/1099154072.db2.gz IGBKRPDAIBGTOC-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1Cl ZINC001235988877 1099313305 /nfs/dbraw/zinc/31/33/05/1099313305.db2.gz ARVLLJYDYHUZSE-YVEFUNNKSA-N 0 3 308.853 3.266 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236113905 1099401845 /nfs/dbraw/zinc/40/18/45/1099401845.db2.gz KNALAZZBMPSSDU-ZDUSSCGKSA-N 0 3 308.834 3.254 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1[O-] ZINC001180593001 1099468078 /nfs/dbraw/zinc/46/80/78/1099468078.db2.gz IMXZTKCGMRYTMN-ZIAGYGMSSA-N 0 3 311.809 3.101 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c([O-])c1 ZINC001180635195 1099480604 /nfs/dbraw/zinc/48/06/04/1099480604.db2.gz WYGXQDZWSGYCQM-SJORKVTESA-N 0 3 307.434 3.391 20 10 DGCDHN CN1CCCc2cc(CN3CCc4ccc(N)cc4C3)ccc21 ZINC001236232280 1099485680 /nfs/dbraw/zinc/48/56/80/1099485680.db2.gz LZOZLQVKECTUPI-UHFFFAOYSA-N 0 3 307.441 3.210 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]3CC[C@H]2C[NH2+]3)cc1Cl ZINC001236428464 1099604522 /nfs/dbraw/zinc/60/45/22/1099604522.db2.gz LDNVQJNDRKEOMW-STQMWFEESA-N 0 3 308.853 3.279 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@@](F)(C[NH3+])C2)cc1Cl ZINC001236433720 1099609228 /nfs/dbraw/zinc/60/92/28/1099609228.db2.gz HPDRKHOEDXDLKC-MRXNPFEDSA-N 0 3 314.832 3.216 20 10 DGCDHN COc1cc(C[N@H+](C)CC(C)C)c([O-])cc1Br ZINC001236745448 1099769222 /nfs/dbraw/zinc/76/92/22/1099769222.db2.gz OURXDOHUNFNSBO-UHFFFAOYSA-N 0 3 302.212 3.251 20 10 DGCDHN COc1cc(C[N@@H+](C)CC(C)C)c([O-])cc1Br ZINC001236745448 1099769223 /nfs/dbraw/zinc/76/92/23/1099769223.db2.gz OURXDOHUNFNSBO-UHFFFAOYSA-N 0 3 302.212 3.251 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236795598 1099790114 /nfs/dbraw/zinc/79/01/14/1099790114.db2.gz WXVLTXZVJHWYQQ-HNNXBMFYSA-N 0 3 305.418 3.118 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236795598 1099790119 /nfs/dbraw/zinc/79/01/19/1099790119.db2.gz WXVLTXZVJHWYQQ-HNNXBMFYSA-N 0 3 305.418 3.118 20 10 DGCDHN COc1cc(C)c(CN2CCc3ccc(F)cc3C2)c(O)c1 ZINC001236810425 1099801184 /nfs/dbraw/zinc/80/11/84/1099801184.db2.gz GRAQBDXXASWRHY-UHFFFAOYSA-N 0 3 301.361 3.407 20 10 DGCDHN COc1cc(C)c(C[N@H+](C(C)C)C2CCN(C)CC2)c([O-])c1 ZINC001236815758 1099802759 /nfs/dbraw/zinc/80/27/59/1099802759.db2.gz NYJUOSGXCGMLBJ-UHFFFAOYSA-N 0 3 306.450 3.014 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C(C)C)C2CCN(C)CC2)c([O-])c1 ZINC001236815758 1099802766 /nfs/dbraw/zinc/80/27/66/1099802766.db2.gz NYJUOSGXCGMLBJ-UHFFFAOYSA-N 0 3 306.450 3.014 20 10 DGCDHN Cn1cnnc1C1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236830476 1099813362 /nfs/dbraw/zinc/81/33/62/1099813362.db2.gz ATECZFDVOLOHHJ-UHFFFAOYSA-N 0 3 322.412 3.054 20 10 DGCDHN CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc2ccccc2cc1[O-] ZINC001236829595 1099813505 /nfs/dbraw/zinc/81/35/05/1099813505.db2.gz IZCBGRIGBAMXKZ-FQEVSTJZSA-N 0 3 324.424 3.132 20 10 DGCDHN CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc2ccccc2cc1[O-] ZINC001236829595 1099813514 /nfs/dbraw/zinc/81/35/14/1099813514.db2.gz IZCBGRIGBAMXKZ-FQEVSTJZSA-N 0 3 324.424 3.132 20 10 DGCDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830559 1099815359 /nfs/dbraw/zinc/81/53/59/1099815359.db2.gz BNNQJBNSVMLGJZ-IBGZPJMESA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830559 1099815374 /nfs/dbraw/zinc/81/53/74/1099815374.db2.gz BNNQJBNSVMLGJZ-IBGZPJMESA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236831456 1099816456 /nfs/dbraw/zinc/81/64/56/1099816456.db2.gz HDZQPPAOAHUHKN-CJNGLKHVSA-N 0 3 313.397 3.319 20 10 DGCDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236831456 1099816472 /nfs/dbraw/zinc/81/64/72/1099816472.db2.gz HDZQPPAOAHUHKN-CJNGLKHVSA-N 0 3 313.397 3.319 20 10 DGCDHN O=C1CCC2(CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)O1 ZINC001236831139 1099818343 /nfs/dbraw/zinc/81/83/43/1099818343.db2.gz FKOZRKDOMSOBCH-UHFFFAOYSA-N 0 3 311.381 3.217 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([O-])c1 ZINC001237052262 1099944611 /nfs/dbraw/zinc/94/46/11/1099944611.db2.gz SQSTXUIOTBPDBZ-IBGZPJMESA-N 0 3 316.445 3.102 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([O-])c1 ZINC001237052262 1099944619 /nfs/dbraw/zinc/94/46/19/1099944619.db2.gz SQSTXUIOTBPDBZ-IBGZPJMESA-N 0 3 316.445 3.102 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001237055966 1099947856 /nfs/dbraw/zinc/94/78/56/1099947856.db2.gz STHGEPKHWUGZNI-GOSISDBHSA-N 0 3 303.402 3.187 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001237055966 1099947864 /nfs/dbraw/zinc/94/78/64/1099947864.db2.gz STHGEPKHWUGZNI-GOSISDBHSA-N 0 3 303.402 3.187 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC001237139012 1099988723 /nfs/dbraw/zinc/98/87/23/1099988723.db2.gz BOSLCNZMWKJHIR-NSHDSACASA-N 0 3 303.324 3.005 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001237139012 1099988734 /nfs/dbraw/zinc/98/87/34/1099988734.db2.gz BOSLCNZMWKJHIR-NSHDSACASA-N 0 3 303.324 3.005 20 10 DGCDHN Cc1cccc(O)c1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001237493002 1100143003 /nfs/dbraw/zinc/14/30/03/1100143003.db2.gz VAHPJIGXYBVITM-UHFFFAOYSA-N 0 3 319.408 3.445 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)CC(C)(C)C)CC1 ZINC001237494427 1100145037 /nfs/dbraw/zinc/14/50/37/1100145037.db2.gz IPSLPQKHOYXEKF-UHFFFAOYSA-N 0 3 318.461 3.217 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237495609 1100145338 /nfs/dbraw/zinc/14/53/38/1100145338.db2.gz SWPTWYNWXNDKAN-IAGOWNOFSA-N 0 3 308.425 3.269 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001237640989 1100199563 /nfs/dbraw/zinc/19/95/63/1100199563.db2.gz JPTBDTXCJIPLNI-AEFFLSMTSA-N 0 3 319.351 3.103 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001237640989 1100199565 /nfs/dbraw/zinc/19/95/65/1100199565.db2.gz JPTBDTXCJIPLNI-AEFFLSMTSA-N 0 3 319.351 3.103 20 10 DGCDHN COCC1C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237641182 1100200113 /nfs/dbraw/zinc/20/01/13/1100200113.db2.gz NWMRYBWEKXENTD-UHFFFAOYSA-N 0 3 301.361 3.277 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+](C)C2CCOCC2)cc1Br ZINC001237678137 1100212380 /nfs/dbraw/zinc/21/23/80/1100212380.db2.gz USUPXLXKGOHLIX-UHFFFAOYSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc([O-])c(C[N@H+](C)C2CCOCC2)cc1Br ZINC001237678137 1100212386 /nfs/dbraw/zinc/21/23/86/1100212386.db2.gz USUPXLXKGOHLIX-UHFFFAOYSA-N 0 3 314.223 3.074 20 10 DGCDHN COC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237687290 1100214335 /nfs/dbraw/zinc/21/43/35/1100214335.db2.gz XCXYMXNKBRUILR-GFCCVEGCSA-N 0 3 311.809 3.129 20 10 DGCDHN COC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237687290 1100214343 /nfs/dbraw/zinc/21/43/43/1100214343.db2.gz XCXYMXNKBRUILR-GFCCVEGCSA-N 0 3 311.809 3.129 20 10 DGCDHN CSCC[N@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237686598 1100214786 /nfs/dbraw/zinc/21/47/86/1100214786.db2.gz VKPMFBTYIILZAU-UHFFFAOYSA-N 0 3 304.253 3.258 20 10 DGCDHN CSCC[N@@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237686598 1100214792 /nfs/dbraw/zinc/21/47/92/1100214792.db2.gz VKPMFBTYIILZAU-UHFFFAOYSA-N 0 3 304.253 3.258 20 10 DGCDHN CN(C)c1ccc(CN2CC3(CN(Cc4ccccc4)C3)C2)cc1 ZINC001203937883 1102165117 /nfs/dbraw/zinc/16/51/17/1102165117.db2.gz XHBUPERMWFWJOG-UHFFFAOYSA-N 0 3 321.468 3.070 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC(OC)CC2)c(OC)c1 ZINC001138388225 1103103075 /nfs/dbraw/zinc/10/30/75/1103103075.db2.gz STGCPWQGTPSMQN-UHFFFAOYSA-N 0 3 306.450 3.152 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275276583 1104700502 /nfs/dbraw/zinc/70/05/02/1104700502.db2.gz LIAIESOJLXGIJO-SUMWQHHRSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001275276583 1104700508 /nfs/dbraw/zinc/70/05/08/1104700508.db2.gz LIAIESOJLXGIJO-SUMWQHHRSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001275275918 1104700561 /nfs/dbraw/zinc/70/05/61/1104700561.db2.gz BVAYAVZKCTUZJJ-UHFFFAOYSA-N 0 3 306.837 3.106 20 10 DGCDHN CC[N@H+](Cc1ccccc1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249171713 1105239085 /nfs/dbraw/zinc/23/90/85/1105239085.db2.gz DVIQMLZFNLQRSM-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN CC[N@@H+](Cc1ccccc1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249171713 1105239089 /nfs/dbraw/zinc/23/90/89/1105239089.db2.gz DVIQMLZFNLQRSM-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@@H](CO)CC3)ccc2O1 ZINC001249223582 1105249865 /nfs/dbraw/zinc/24/98/65/1105249865.db2.gz ICRISBUOMSYUNJ-CQSZACIVSA-N 0 3 317.429 3.171 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@@H](CO)CC3)ccc2O1 ZINC001249223582 1105249867 /nfs/dbraw/zinc/24/98/67/1105249867.db2.gz ICRISBUOMSYUNJ-CQSZACIVSA-N 0 3 317.429 3.171 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CC4(C3)CCCOC4)ccc2O1 ZINC001249230750 1105252403 /nfs/dbraw/zinc/25/24/03/1105252403.db2.gz SOIVQONUVJNHGW-UHFFFAOYSA-N 0 3 315.413 3.189 20 10 DGCDHN CC(=O)C1CC[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249252247 1105256359 /nfs/dbraw/zinc/25/63/59/1105256359.db2.gz JNCQRVIUMLNOIS-UHFFFAOYSA-N 0 3 315.413 3.377 20 10 DGCDHN CO[C@H](C)C1C[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249258621 1105258541 /nfs/dbraw/zinc/25/85/41/1105258541.db2.gz KXDUCAJCCROGIL-GFCCVEGCSA-N 0 3 303.402 3.043 20 10 DGCDHN CC1(C)C=Cc2c(O)c(CN3CC4(CSC4)C3)ccc2O1 ZINC001249258591 1105258596 /nfs/dbraw/zinc/25/85/96/1105258596.db2.gz KMKPRCUUBVABRD-UHFFFAOYSA-N 0 3 303.427 3.125 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H]2C)c([O-])c1 ZINC001249726975 1105366482 /nfs/dbraw/zinc/36/64/82/1105366482.db2.gz XHWSEMGHHHVFBI-CQSZACIVSA-N 0 3 321.417 3.099 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CCC[C@H]2C)c([O-])c1 ZINC001249726975 1105366489 /nfs/dbraw/zinc/36/64/89/1105366489.db2.gz XHWSEMGHHHVFBI-CQSZACIVSA-N 0 3 321.417 3.099 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC001251247811 1105643894 /nfs/dbraw/zinc/64/38/94/1105643894.db2.gz QKSMXQJOSRSNON-SFHVURJKSA-N 0 3 323.392 3.075 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252394361 1105776014 /nfs/dbraw/zinc/77/60/14/1105776014.db2.gz NQWCNBHYFRJONR-KRWDZBQOSA-N 0 3 323.392 3.075 20 10 DGCDHN CCCC[C@@H](CC)COC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC001253010740 1105876385 /nfs/dbraw/zinc/87/63/85/1105876385.db2.gz WIPLQZIMOKSQEX-SJLPKXTDSA-N 0 3 323.477 3.418 20 10 DGCDHN CCCC[C@@H](CC)COC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC001253010740 1105876390 /nfs/dbraw/zinc/87/63/90/1105876390.db2.gz WIPLQZIMOKSQEX-SJLPKXTDSA-N 0 3 323.477 3.418 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC001253358716 1105927808 /nfs/dbraw/zinc/92/78/08/1105927808.db2.gz RPDJRLJEWLCMRO-KRWDZBQOSA-N 0 3 307.340 3.226 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC001253358716 1105927813 /nfs/dbraw/zinc/92/78/13/1105927813.db2.gz RPDJRLJEWLCMRO-KRWDZBQOSA-N 0 3 307.340 3.226 20 10 DGCDHN CCCCC[C@@H](O)CN1CCN(c2ccc(OCC)cc2)CC1 ZINC001253542966 1105955406 /nfs/dbraw/zinc/95/54/06/1105955406.db2.gz VKHLWGYBAHAFJD-GOSISDBHSA-N 0 3 320.477 3.149 20 10 DGCDHN CCCC[C@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001255334455 1106225297 /nfs/dbraw/zinc/22/52/97/1106225297.db2.gz RJCPDYCIHFAZRS-HNNXBMFYSA-N 0 3 306.450 3.405 20 10 DGCDHN CC(C)c1noc(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC001320253432 1106938271 /nfs/dbraw/zinc/93/82/71/1106938271.db2.gz WAJYLXOYYAKOMV-CMPLNLGQSA-N 0 3 319.380 3.418 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC001321079051 1107243062 /nfs/dbraw/zinc/24/30/62/1107243062.db2.gz BZYMYSPFAKNYFW-HXUWFJFHSA-N 0 3 309.409 3.406 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001321079051 1107243073 /nfs/dbraw/zinc/24/30/73/1107243073.db2.gz BZYMYSPFAKNYFW-HXUWFJFHSA-N 0 3 309.409 3.406 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1ccc(C)cc1[O-] ZINC001322454774 1107678314 /nfs/dbraw/zinc/67/83/14/1107678314.db2.gz FKJGBCQFCXLRLC-AEFFLSMTSA-N 0 3 321.461 3.167 20 10 DGCDHN Cn1cc([C@@H](N[C@H]2CCc3cccc(O)c32)c2ccccc2)cn1 ZINC001324601143 1108367822 /nfs/dbraw/zinc/36/78/22/1108367822.db2.gz HNFRJEYMBKUWKY-PXNSSMCTSA-N 0 3 319.408 3.492 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc(F)cc1F ZINC001308010534 1111365755 /nfs/dbraw/zinc/36/57/55/1111365755.db2.gz QVWBZTPJYPNPIB-GHMZBOCLSA-N 0 3 320.339 3.348 20 10 DGCDHN Cc1cccn2c(CNCc3ccc4c(c3)CCCN4C)cnc12 ZINC001308229716 1111401400 /nfs/dbraw/zinc/40/14/00/1111401400.db2.gz JUDCXCKVTBTMNC-UHFFFAOYSA-N 0 3 320.440 3.315 20 10 DGCDHN CCCN(CCC)c1ccc(CNCC2(C)OCCO2)cc1 ZINC001308333137 1111417632 /nfs/dbraw/zinc/41/76/32/1111417632.db2.gz BNUSYIWHEBBEHQ-UHFFFAOYSA-N 0 3 306.450 3.166 20 10 DGCDHN C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccncc1)c1ccccc1[O-] ZINC001308507011 1111436444 /nfs/dbraw/zinc/43/64/44/1111436444.db2.gz WZQZTVSNTIIWLE-CYBMUJFWSA-N 0 3 308.385 3.039 20 10 DGCDHN Oc1cc2c(cc1CNCc1ccccc1OC(F)F)OCO2 ZINC000063255921 432005293 /nfs/dbraw/zinc/00/52/93/432005293.db2.gz KOBOOFZYKWXCAI-UHFFFAOYSA-N 0 3 323.295 3.012 20 10 DGCDHN Cc1cccc(CN2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000179679876 432067205 /nfs/dbraw/zinc/06/72/05/432067205.db2.gz KKYFAQZYAWZNNR-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2c2cccn2C)c1 ZINC000179709016 432068448 /nfs/dbraw/zinc/06/84/48/432068448.db2.gz CZJDOENDNIJEEM-QGZVFWFLSA-N 0 3 300.402 3.467 20 10 DGCDHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000282317588 299285217 /nfs/dbraw/zinc/28/52/17/299285217.db2.gz NJCQEUYCYHJJKO-OYHNWAKOSA-N 0 3 320.502 3.239 20 10 DGCDHN C[C@@H](c1cccc(O)c1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000093316106 193229650 /nfs/dbraw/zinc/22/96/50/193229650.db2.gz QAWQOKFMHSYJGM-NSHDSACASA-N 0 3 301.342 3.020 20 10 DGCDHN C[C@@H](NC[C@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000268767384 432128674 /nfs/dbraw/zinc/12/86/74/432128674.db2.gz CLSCURWQLZSVMA-ACJLOTCBSA-N 0 3 302.393 3.276 20 10 DGCDHN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000268864339 432143722 /nfs/dbraw/zinc/14/37/22/432143722.db2.gz SZEMEHCQXDLYGB-WFASDCNBSA-N 0 3 316.367 3.251 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c([O-])c1C ZINC000273298332 130104815 /nfs/dbraw/zinc/10/48/15/130104815.db2.gz APQAZJLOEKFZLY-OAHLLOKOSA-N 0 3 322.412 3.441 20 10 DGCDHN CC(C)[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273341007 130108289 /nfs/dbraw/zinc/10/82/89/130108289.db2.gz ANQNAXCHTVCLCK-UHFFFAOYSA-N 0 3 315.413 3.174 20 10 DGCDHN CC(C)[N@@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273341007 130108292 /nfs/dbraw/zinc/10/82/92/130108292.db2.gz ANQNAXCHTVCLCK-UHFFFAOYSA-N 0 3 315.413 3.174 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)c([O-])c1C ZINC000273427577 130120770 /nfs/dbraw/zinc/12/07/70/130120770.db2.gz URQHDYILTRSKPZ-OAHLLOKOSA-N 0 3 304.434 3.062 20 10 DGCDHN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000273443714 130121797 /nfs/dbraw/zinc/12/17/97/130121797.db2.gz ZFFRFKNXGCBZKG-OAHLLOKOSA-N 0 3 312.413 3.090 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000273481198 130126712 /nfs/dbraw/zinc/12/67/12/130126712.db2.gz MBKJQBDLDFIWMX-YJBOKZPZSA-N 0 3 324.424 3.152 20 10 DGCDHN CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604895 130142859 /nfs/dbraw/zinc/14/28/59/130142859.db2.gz SZXDLRBZOVLKPJ-KBPBESRZSA-N 0 3 321.421 3.071 20 10 DGCDHN CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604895 130142862 /nfs/dbraw/zinc/14/28/62/130142862.db2.gz SZXDLRBZOVLKPJ-KBPBESRZSA-N 0 3 321.421 3.071 20 10 DGCDHN CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604895 130142863 /nfs/dbraw/zinc/14/28/63/130142863.db2.gz SZXDLRBZOVLKPJ-KBPBESRZSA-N 0 3 321.421 3.071 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c([O-])c1 ZINC000273623208 130146704 /nfs/dbraw/zinc/14/67/04/130146704.db2.gz ZTFPZLUJNZDSAA-AWEZNQCLSA-N 0 3 304.434 3.142 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000273703682 130156641 /nfs/dbraw/zinc/15/66/41/130156641.db2.gz DYSQKDMQERFQCJ-JKSUJKDBSA-N 0 3 311.809 3.101 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])[C@]12CCCO2 ZINC000274120553 130208100 /nfs/dbraw/zinc/20/81/00/130208100.db2.gz AJZJCTXAVKGPIK-NOCIGQNYSA-N 0 3 319.445 3.386 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c([O-])c1C ZINC000274375214 130229648 /nfs/dbraw/zinc/22/96/48/130229648.db2.gz LPVCIXYGBFHTNH-CYBMUJFWSA-N 0 3 317.458 3.205 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccccc1[O-] ZINC000274984513 130280433 /nfs/dbraw/zinc/28/04/33/130280433.db2.gz ZSLBBEXZTHPNQX-YCPHGPKFSA-N 0 3 304.434 3.080 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCOC2)c1[O-] ZINC000275272371 130301620 /nfs/dbraw/zinc/30/16/20/130301620.db2.gz CFYLEILCWKQULO-MNOVXSKESA-N 0 3 314.223 3.150 20 10 DGCDHN COc1ccc([C@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])cc1 ZINC000284113305 131050224 /nfs/dbraw/zinc/05/02/24/131050224.db2.gz NLTAPMWYVQCQRN-RDTXWAMCSA-N 0 3 315.413 3.402 20 10 DGCDHN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284162455 131055144 /nfs/dbraw/zinc/05/51/44/131055144.db2.gz PVMDTZDBAOEMAA-KBXCAEBGSA-N 0 3 315.413 3.402 20 10 DGCDHN CNC(=O)c1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284242692 131063593 /nfs/dbraw/zinc/06/35/93/131063593.db2.gz VEODBZRULFBINQ-AWEZNQCLSA-N 0 3 312.413 3.219 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1[O-] ZINC000284720718 131106453 /nfs/dbraw/zinc/10/64/53/131106453.db2.gz UWBNJIBPGNEIKD-DOTOQJQBSA-N 0 3 318.804 3.369 20 10 DGCDHN COCCCN(Cc1ccncc1)Cc1cc(C)ccc1O ZINC000289453897 131387132 /nfs/dbraw/zinc/38/71/32/131387132.db2.gz NLSBHRBLVRVBCT-UHFFFAOYSA-N 0 3 300.402 3.134 20 10 DGCDHN COCCC[N@H+](Cc1ccncc1)Cc1cc(C)ccc1[O-] ZINC000289453897 131387133 /nfs/dbraw/zinc/38/71/33/131387133.db2.gz NLSBHRBLVRVBCT-UHFFFAOYSA-N 0 3 300.402 3.134 20 10 DGCDHN COCCC[N@@H+](Cc1ccncc1)Cc1cc(C)ccc1[O-] ZINC000289453897 131387134 /nfs/dbraw/zinc/38/71/34/131387134.db2.gz NLSBHRBLVRVBCT-UHFFFAOYSA-N 0 3 300.402 3.134 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000289488369 131390591 /nfs/dbraw/zinc/39/05/91/131390591.db2.gz RHLNZBIHERFCRL-LLVKDONJSA-N 0 3 314.360 3.267 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc([S@](C)=O)cc1 ZINC000296687918 131981512 /nfs/dbraw/zinc/98/15/12/131981512.db2.gz HABPPUIKYWXPSW-IEBOFQNGSA-N 0 3 315.438 3.468 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1ccn(-c3ccccc3)n1)CC2 ZINC000297570771 132023599 /nfs/dbraw/zinc/02/35/99/132023599.db2.gz GPCWUIJYSOXZGA-SFHVURJKSA-N 0 3 319.408 3.398 20 10 DGCDHN O=C(NCc1ccccc1O)c1ccc(CN2CCCCC2)cc1 ZINC000299581623 132112095 /nfs/dbraw/zinc/11/20/95/132112095.db2.gz REINPPISRVSLHK-UHFFFAOYSA-N 0 3 324.424 3.308 20 10 DGCDHN C[C@@H]1CN(c2ccc(CNCc3cc[nH]c3)cc2F)C[C@H](C)O1 ZINC000086251274 401176572 /nfs/dbraw/zinc/17/65/72/401176572.db2.gz XCNGSGVAIVFWEP-OKILXGFUSA-N 0 3 317.408 3.057 20 10 DGCDHN COc1ccc(O)c(CN[C@H]2CCOc3ccc(OC)cc32)c1 ZINC000089726510 401237281 /nfs/dbraw/zinc/23/72/81/401237281.db2.gz XAFRYVYPGKLKQR-INIZCTEOSA-N 0 3 315.369 3.023 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@@H]2c2ccncc2)cc1OC ZINC000289972921 286238862 /nfs/dbraw/zinc/23/88/62/286238862.db2.gz ZFXMYTSVEYKUFT-OAHLLOKOSA-N 0 3 314.385 3.142 20 10 DGCDHN CC[C@@H](NCc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1 ZINC000151154880 432224612 /nfs/dbraw/zinc/22/46/12/432224612.db2.gz SJKYLGUFWHXXIS-GOSISDBHSA-N 0 3 300.450 3.344 20 10 DGCDHN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cn1 ZINC000183433354 228374102 /nfs/dbraw/zinc/37/41/02/228374102.db2.gz AMLSAXMKJYXMCG-ZDUSSCGKSA-N 0 3 308.385 3.132 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686611 228395270 /nfs/dbraw/zinc/39/52/70/228395270.db2.gz LDKLFHWNESRZHN-UONOGXRCSA-N 0 3 315.392 3.164 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000289853024 274754843 /nfs/dbraw/zinc/75/48/43/274754843.db2.gz PTTSDQHRWBJSNS-QGZVFWFLSA-N 0 3 303.427 3.340 20 10 DGCDHN CN(C)c1ccc(CN[C@H](CCO)c2ccccc2)cc1F ZINC000077468290 431596749 /nfs/dbraw/zinc/59/67/49/431596749.db2.gz MDKCFVOYEHLRFW-QGZVFWFLSA-N 0 3 302.393 3.105 20 10 DGCDHN CN(C)c1ccc(CNCc2ccc3c(c2)OCCCO3)cc1 ZINC000079694986 431739417 /nfs/dbraw/zinc/73/94/17/431739417.db2.gz OFLFRXQFHSTOIS-UHFFFAOYSA-N 0 3 312.413 3.204 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000121091469 431742751 /nfs/dbraw/zinc/74/27/51/431742751.db2.gz GVVDJHLHXZTNDB-AEFFLSMTSA-N 0 3 301.386 3.175 20 10 DGCDHN COc1ccc([C@H](C)[N@H+](C)Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000125832900 431937320 /nfs/dbraw/zinc/93/73/20/431937320.db2.gz WBBBJEBOUPLDCA-LBPRGKRZSA-N 0 3 315.369 3.323 20 10 DGCDHN COc1ccc([C@H](C)[N@@H+](C)Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000125832900 431937321 /nfs/dbraw/zinc/93/73/21/431937321.db2.gz WBBBJEBOUPLDCA-LBPRGKRZSA-N 0 3 315.369 3.323 20 10 DGCDHN COc1ccc([C@H](C)N(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000125832900 431937323 /nfs/dbraw/zinc/93/73/23/431937323.db2.gz WBBBJEBOUPLDCA-LBPRGKRZSA-N 0 3 315.369 3.323 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000126048692 431941366 /nfs/dbraw/zinc/94/13/66/431941366.db2.gz CTJBMMQCDTVMKY-LLVKDONJSA-N 0 3 302.330 3.160 20 10 DGCDHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297867030 281358872 /nfs/dbraw/zinc/35/88/72/281358872.db2.gz ULOIXQVABVBJRO-ZLOLFTAESA-N 0 3 307.459 3.049 20 10 DGCDHN Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3ccccc3[O-])cn2)n1 ZINC000183428408 432293480 /nfs/dbraw/zinc/29/34/80/432293480.db2.gz XDLSSNLODFCFQD-OAHLLOKOSA-N 0 3 322.412 3.441 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccccc1[O-] ZINC000183434910 432293522 /nfs/dbraw/zinc/29/35/22/432293522.db2.gz XUAJOMBCYFAFTG-HNNXBMFYSA-N 0 3 324.424 3.365 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000183455472 432294091 /nfs/dbraw/zinc/29/40/91/432294091.db2.gz GTCRHFJINJXJFT-OAHLLOKOSA-N 0 3 324.424 3.348 20 10 DGCDHN CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271091342 432329317 /nfs/dbraw/zinc/32/93/17/432329317.db2.gz WQFQHIFVBQURSX-SFHVURJKSA-N 0 3 324.424 3.160 20 10 DGCDHN CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271091342 432329320 /nfs/dbraw/zinc/32/93/20/432329320.db2.gz WQFQHIFVBQURSX-SFHVURJKSA-N 0 3 324.424 3.160 20 10 DGCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271440199 432396355 /nfs/dbraw/zinc/39/63/55/432396355.db2.gz RRJKIRJDOURHAF-ZFWWWQNUSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271440199 432396356 /nfs/dbraw/zinc/39/63/56/432396356.db2.gz RRJKIRJDOURHAF-ZFWWWQNUSA-N 0 3 320.433 3.127 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cc1OC ZINC000272010176 432433749 /nfs/dbraw/zinc/43/37/49/432433749.db2.gz CIOSQJVRUCNABB-LSDHHAIUSA-N 0 3 323.433 3.093 20 10 DGCDHN C[C@H](c1ccsc1)N1CCN(Cc2ccccc2O)CC1 ZINC000184971047 432451550 /nfs/dbraw/zinc/45/15/50/432451550.db2.gz IAQGPICBZUJOHA-CQSZACIVSA-N 0 3 302.443 3.333 20 10 DGCDHN COCCN(C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185008704 432455862 /nfs/dbraw/zinc/45/58/62/432455862.db2.gz NWSRJKDGIGHPDV-HNNXBMFYSA-N 0 3 316.445 3.164 20 10 DGCDHN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185027703 432457141 /nfs/dbraw/zinc/45/71/41/432457141.db2.gz SUEFNXOXTCAFHQ-CQSZACIVSA-N 0 3 312.413 3.301 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193505568 432478077 /nfs/dbraw/zinc/47/80/77/432478077.db2.gz ABMCZOKPAXVSJV-CHWSQXEVSA-N 0 3 316.367 3.235 20 10 DGCDHN CCOc1cccc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)OC)c1[O-] ZINC000272370590 432488864 /nfs/dbraw/zinc/48/88/64/432488864.db2.gz BNWFXNZRIGWSIQ-KBXCAEBGSA-N 0 3 321.417 3.002 20 10 DGCDHN CCCNC(=O)C1([NH2+]Cc2cccc(C)c2[O-])CCCCC1 ZINC000154524558 432503830 /nfs/dbraw/zinc/50/38/30/432503830.db2.gz XKKCHAHCOOBPDM-UHFFFAOYSA-N 0 3 304.434 3.019 20 10 DGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000186068121 432555507 /nfs/dbraw/zinc/55/55/07/432555507.db2.gz GHFIILFFWYABGT-CQSZACIVSA-N 0 3 316.401 3.073 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)cc1)CC1=CCCOC1 ZINC000155243678 432546375 /nfs/dbraw/zinc/54/63/75/432546375.db2.gz DZWYKRMFGNBFAH-UHFFFAOYSA-N 0 3 300.446 3.455 20 10 DGCDHN C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1[O-] ZINC000186335203 432583569 /nfs/dbraw/zinc/58/35/69/432583569.db2.gz GAUJTYLKILQYHW-ICXUMSERSA-N 0 3 312.413 3.268 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@H](CCO)c2ccccc2)c1 ZINC000273467162 432602066 /nfs/dbraw/zinc/60/20/66/432602066.db2.gz FAHJTUXWGVGPBL-CXAGYDPISA-N 0 3 301.386 3.175 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000273467162 432602069 /nfs/dbraw/zinc/60/20/69/432602069.db2.gz FAHJTUXWGVGPBL-CXAGYDPISA-N 0 3 301.386 3.175 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000219453113 432664060 /nfs/dbraw/zinc/66/40/60/432664060.db2.gz VGUDSNVLLNDVRW-ZFWWWQNUSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C ZINC000189000274 432756570 /nfs/dbraw/zinc/75/65/70/432756570.db2.gz BDENFTURTNEEPZ-HOTGVXAUSA-N 0 3 317.477 3.194 20 10 DGCDHN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1O ZINC000276013977 432766623 /nfs/dbraw/zinc/76/66/23/432766623.db2.gz QFNUTGVLLAYGKT-GOSISDBHSA-N 0 3 302.462 3.270 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCc2csc(C)n2)c1[O-] ZINC000230934040 432730283 /nfs/dbraw/zinc/73/02/83/432730283.db2.gz CVRTUZXCCNYPBN-UHFFFAOYSA-N 0 3 312.822 3.151 20 10 DGCDHN CCOc1cccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1O ZINC000277172840 432830572 /nfs/dbraw/zinc/83/05/72/432830572.db2.gz HXDAKGSNNFGYMG-RYUDHWBXSA-N 0 3 318.421 3.273 20 10 DGCDHN CCOc1cccc(CNCc2ccc3c(n2)CCCC3)c1O ZINC000277637312 432865823 /nfs/dbraw/zinc/86/58/23/432865823.db2.gz CZRILMPCFRGKOS-UHFFFAOYSA-N 0 3 312.413 3.355 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)CC2 ZINC000296247281 432888660 /nfs/dbraw/zinc/88/86/60/432888660.db2.gz BCEYGGXIDIWEES-ZBFHGGJFSA-N 0 3 321.779 3.495 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@]3(CCSC3)C1)CC2 ZINC000297028266 432950430 /nfs/dbraw/zinc/95/04/30/432950430.db2.gz UQHWBLGCCOCYDT-CKEIUWERSA-N 0 3 305.443 3.024 20 10 DGCDHN CC[C@H](NCc1ccc(OC)nc1OC)c1ccc(C)cc1O ZINC000290057102 432984990 /nfs/dbraw/zinc/98/49/90/432984990.db2.gz FJODWMIPOKRHKE-HNNXBMFYSA-N 0 3 316.401 3.354 20 10 DGCDHN COc1cc(O)c(CN[C@H]2c3ccccc3O[C@@H]2C)cc1OC ZINC000290185639 433008352 /nfs/dbraw/zinc/00/83/52/433008352.db2.gz ODYIWZRXDVANIR-ADLMAVQZSA-N 0 3 315.369 3.021 20 10 DGCDHN CN(C)C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000290192252 433009271 /nfs/dbraw/zinc/00/92/71/433009271.db2.gz TUTOIPMMPHJTLV-SFHVURJKSA-N 0 3 314.404 3.153 20 10 DGCDHN CCOC(=O)N1CCC([NH2+][C@@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000280189264 433012340 /nfs/dbraw/zinc/01/23/40/433012340.db2.gz SEHYTMUOKOPIJP-INIZCTEOSA-N 0 3 320.433 3.362 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccc(C)cc2[O-])[C@]12CCCO2 ZINC000280218774 433016573 /nfs/dbraw/zinc/01/65/73/433016573.db2.gz UNXYJVGNBBHVAU-QXCFHYIPSA-N 0 3 319.445 3.468 20 10 DGCDHN CC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)c1ccc(C)cc1[O-] ZINC000280258236 433023842 /nfs/dbraw/zinc/02/38/42/433023842.db2.gz XBZUWEGJJWXICM-ZBCRRDGASA-N 0 3 304.434 3.046 20 10 DGCDHN CN(C)C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000297470457 289189824 /nfs/dbraw/zinc/18/98/24/289189824.db2.gz YPFINBHKLJVGAA-DLBZAZTESA-N 0 3 314.404 3.411 20 10 DGCDHN CCOc1ccc(O)c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000290826750 433181300 /nfs/dbraw/zinc/18/13/00/433181300.db2.gz HERMFQUSRCMAAU-QZTJIDSGSA-N 0 3 317.429 3.324 20 10 DGCDHN COCCOCc1ccc(C[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000291022093 433214333 /nfs/dbraw/zinc/21/43/33/433214333.db2.gz GXVIMFRYFIYPMK-UHFFFAOYSA-N 0 3 315.413 3.153 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000291016597 433217174 /nfs/dbraw/zinc/21/71/74/433217174.db2.gz FZBVEFIDNBPNFC-AWEZNQCLSA-N 0 3 300.377 3.147 20 10 DGCDHN C[C@@H](NCc1ccc2c(c1)CCO2)[C@@H]1OCCc2sccc21 ZINC000291680336 433309318 /nfs/dbraw/zinc/30/93/18/433309318.db2.gz HPGZDZUANTUJAV-XIKOKIGWSA-N 0 3 315.438 3.475 20 10 DGCDHN CCOc1ccc(O)c(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000375298048 433419174 /nfs/dbraw/zinc/41/91/74/433419174.db2.gz QQLZPSASNYVMTP-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000375298048 433419184 /nfs/dbraw/zinc/41/91/84/433419184.db2.gz QQLZPSASNYVMTP-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000375298048 433419192 /nfs/dbraw/zinc/41/91/92/433419192.db2.gz QQLZPSASNYVMTP-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc2c(c1)CC(=O)N2C ZINC000297601021 290026146 /nfs/dbraw/zinc/02/61/46/290026146.db2.gz IANPEBMXABCSGF-BLLLJJGKSA-N 0 3 322.408 3.249 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1 ZINC000362233447 433592734 /nfs/dbraw/zinc/59/27/34/433592734.db2.gz FHCQSNHGPFBOCP-UHFFFAOYSA-N 0 3 323.396 3.091 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282566763 433620243 /nfs/dbraw/zinc/62/02/43/433620243.db2.gz FCAHTXOQLNVNFP-QGZVFWFLSA-N 0 3 305.418 3.230 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)c([O-])c1 ZINC000293661034 433822033 /nfs/dbraw/zinc/82/20/33/433822033.db2.gz NXPACNWRBZZWOI-IBGZPJMESA-N 0 3 318.461 3.099 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)c([O-])c1 ZINC000293661034 433822041 /nfs/dbraw/zinc/82/20/41/433822041.db2.gz NXPACNWRBZZWOI-IBGZPJMESA-N 0 3 318.461 3.099 20 10 DGCDHN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000377058311 433847505 /nfs/dbraw/zinc/84/75/05/433847505.db2.gz WABITVSAVDXUHU-KRWDZBQOSA-N 0 3 316.445 3.148 20 10 DGCDHN OC1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000377617705 433926217 /nfs/dbraw/zinc/92/62/17/433926217.db2.gz AWARVHXUEZZTBF-UHFFFAOYSA-N 0 3 322.452 3.206 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000294604532 434122377 /nfs/dbraw/zinc/12/23/77/434122377.db2.gz DJCIYTIMCGPSBA-UONOGXRCSA-N 0 3 304.434 3.059 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1[O-] ZINC000294768185 434140554 /nfs/dbraw/zinc/14/05/54/434140554.db2.gz JWDUSMMTDPBFGZ-QGZVFWFLSA-N 0 3 315.413 3.138 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000363859965 434168780 /nfs/dbraw/zinc/16/87/80/434168780.db2.gz SVYLAVFDNZMQOT-XYZKALLWSA-N 0 3 305.418 3.255 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000295867341 434438636 /nfs/dbraw/zinc/43/86/36/434438636.db2.gz GYAXHPNXZIROKE-QZTJIDSGSA-N 0 3 308.425 3.244 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000295867348 434439211 /nfs/dbraw/zinc/43/92/11/434439211.db2.gz GYAXHPNXZIROKE-ROUUACIJSA-N 0 3 308.425 3.244 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cccc(Cn3cccn3)c1)CC2 ZINC000295845083 434439418 /nfs/dbraw/zinc/43/94/18/434439418.db2.gz FUNNJONTOUHGRP-SFHVURJKSA-N 0 3 319.408 3.414 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCc1nc3ccccc3[nH]1)CC2 ZINC000296161354 434529637 /nfs/dbraw/zinc/52/96/37/434529637.db2.gz XHYOWXBUHPZOQT-INIZCTEOSA-N 0 3 307.397 3.478 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c([O-])c1C ZINC000368477327 434574938 /nfs/dbraw/zinc/57/49/38/434574938.db2.gz FQFKSRLZPMPEOX-HNNXBMFYSA-N 0 3 313.445 3.435 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1[O-] ZINC000527996750 435018278 /nfs/dbraw/zinc/01/82/78/435018278.db2.gz FRIIQQWAZIBQMU-WBVHZDCISA-N 0 3 310.397 3.305 20 10 DGCDHN CC1(C)CN(C(=O)c2cccc3c2CCNC3)c2cc(F)ccc21 ZINC000662828309 436392127 /nfs/dbraw/zinc/39/21/27/436392127.db2.gz HSJKHJGISJFLLQ-UHFFFAOYSA-N 0 3 324.399 3.409 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1[O-] ZINC000184704900 533952401 /nfs/dbraw/zinc/95/24/01/533952401.db2.gz YSFIIRCXJMBNIV-ZDUSSCGKSA-N 0 3 324.808 3.040 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOCc2ccccc2)c1 ZINC000185633123 534204799 /nfs/dbraw/zinc/20/47/99/534204799.db2.gz ODGKCSBTNPDGBC-AWEZNQCLSA-N 0 3 301.386 3.268 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000163625450 520290446 /nfs/dbraw/zinc/29/04/46/520290446.db2.gz VCDANFXPEDOFOH-KBPBESRZSA-N 0 3 305.466 3.097 20 10 DGCDHN CCCOc1ccc(C[NH2+]CCCc2nccs2)c([O-])c1 ZINC000265638297 520367210 /nfs/dbraw/zinc/36/72/10/520367210.db2.gz UGFCFABCGXNOOD-UHFFFAOYSA-N 0 3 306.431 3.360 20 10 DGCDHN CC[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000227714355 522196408 /nfs/dbraw/zinc/19/64/08/522196408.db2.gz UASVTRCFLORHNC-QWHCGFSZSA-N 0 3 308.422 3.346 20 10 DGCDHN COc1cc(C[N@H+](Cc2cc(F)ccc2[O-])C2CC2)ccc1O ZINC000190015134 522358618 /nfs/dbraw/zinc/35/86/18/522358618.db2.gz FYLPDQLBWMXDOA-UHFFFAOYSA-N 0 3 317.360 3.410 20 10 DGCDHN COc1cc(C[N@@H+](Cc2cc(F)ccc2[O-])C2CC2)ccc1O ZINC000190015134 522358629 /nfs/dbraw/zinc/35/86/29/522358629.db2.gz FYLPDQLBWMXDOA-UHFFFAOYSA-N 0 3 317.360 3.410 20 10 DGCDHN CC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000156961261 522865742 /nfs/dbraw/zinc/86/57/42/522865742.db2.gz BQBFSUMMKRRSSK-AEFFLSMTSA-N 0 3 303.377 3.480 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1 ZINC000182392226 524764123 /nfs/dbraw/zinc/76/41/23/524764123.db2.gz DMFRLUNHPCCALU-KUHUBIRLSA-N 0 3 315.413 3.402 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000182894616 524764600 /nfs/dbraw/zinc/76/46/00/524764600.db2.gz NAOABWBHZXUEAA-ZBFHGGJFSA-N 0 3 315.413 3.045 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000182324617 524771360 /nfs/dbraw/zinc/77/13/60/524771360.db2.gz VUIBCCZHEGMWLE-UGSOOPFHSA-N 0 3 301.386 3.093 20 10 DGCDHN C[C@H](NCCC(=O)N1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000129050237 525328335 /nfs/dbraw/zinc/32/83/35/525328335.db2.gz FHERCNDYWQBVLK-INIZCTEOSA-N 0 3 317.477 3.196 20 10 DGCDHN COc1cccc(CNC(C)(C)c2ccccc2OC)c1O ZINC000237186633 526011509 /nfs/dbraw/zinc/01/15/09/526011509.db2.gz PGCVALPSWABQBH-UHFFFAOYSA-N 0 3 301.386 3.434 20 10 DGCDHN COc1cccc(CNCc2ccc(OC(C)C)cc2)c1O ZINC000237220963 526024343 /nfs/dbraw/zinc/02/43/43/526024343.db2.gz UUSSMRPPGZFLPJ-UHFFFAOYSA-N 0 3 301.386 3.478 20 10 DGCDHN COc1cccc(C[NH2+]Cc2ccc(OC(C)C)cc2)c1[O-] ZINC000237220963 526024356 /nfs/dbraw/zinc/02/43/56/526024356.db2.gz UUSSMRPPGZFLPJ-UHFFFAOYSA-N 0 3 301.386 3.478 20 10 DGCDHN [O-]c1c(Cl)cccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180766104 526326785 /nfs/dbraw/zinc/32/67/85/526326785.db2.gz FFESWHLGOBAHRX-DYVFJYSZSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1c(Cl)cccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180766104 526326791 /nfs/dbraw/zinc/32/67/91/526326791.db2.gz FFESWHLGOBAHRX-DYVFJYSZSA-N 0 3 320.864 3.494 20 10 DGCDHN CC(=O)Nc1cccc2c1CCN(Cc1cccc(C)c1O)C2 ZINC000179820281 527085802 /nfs/dbraw/zinc/08/58/02/527085802.db2.gz KOSLKEWLBQFMJQ-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN CC[C@H](C)NC(=O)CCN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000178715035 529154990 /nfs/dbraw/zinc/15/49/90/529154990.db2.gz QHYZOBWHJOTJSM-GJZGRUSLSA-N 0 3 305.466 3.098 20 10 DGCDHN CC[C@@H](C)NC(=O)CCN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000178715023 529361002 /nfs/dbraw/zinc/36/10/02/529361002.db2.gz QHYZOBWHJOTJSM-CABCVRRESA-N 0 3 305.466 3.098 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1[O-] ZINC000288432204 535461391 /nfs/dbraw/zinc/46/13/91/535461391.db2.gz BROYTQPRAUTNDQ-GUYCJALGSA-N 0 3 301.386 3.003 20 10 DGCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000730273326 574523657 /nfs/dbraw/zinc/52/36/57/574523657.db2.gz PXJBKZISXDCWCU-SFHVURJKSA-N 0 3 319.493 3.077 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cnn3ccccc23)cc1 ZINC000731450657 574549915 /nfs/dbraw/zinc/54/99/15/574549915.db2.gz GHBDWXQTWAQPOS-UHFFFAOYSA-N 0 3 308.429 3.470 20 10 DGCDHN CCN(CC)C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204340 574567998 /nfs/dbraw/zinc/56/79/98/574567998.db2.gz JCFHHJFPZANXRJ-UHFFFAOYSA-N 0 3 304.434 3.005 20 10 DGCDHN CCN(CC)C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204340 574567999 /nfs/dbraw/zinc/56/79/99/574567999.db2.gz JCFHHJFPZANXRJ-UHFFFAOYSA-N 0 3 304.434 3.005 20 10 DGCDHN O=C(c1cc([O-])cs1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000732271399 574569917 /nfs/dbraw/zinc/56/99/17/574569917.db2.gz VUOIPQMKCPKNFU-UHFFFAOYSA-N 0 3 322.474 3.182 20 10 DGCDHN CCCCCCN(C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000732279533 574570462 /nfs/dbraw/zinc/57/04/62/574570462.db2.gz UDNKHHDMQBZBQJ-UHFFFAOYSA-N 0 3 323.456 3.020 20 10 DGCDHN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([O-])cs2)C1 ZINC000732293466 574571153 /nfs/dbraw/zinc/57/11/53/574571153.db2.gz KHSROTRPMNLNKJ-GFCCVEGCSA-N 0 3 310.463 3.084 20 10 DGCDHN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([O-])cs2)C1 ZINC000732293466 574571154 /nfs/dbraw/zinc/57/11/54/574571154.db2.gz KHSROTRPMNLNKJ-GFCCVEGCSA-N 0 3 310.463 3.084 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CC2(C)C)c1[O-] ZINC000732821186 574583667 /nfs/dbraw/zinc/58/36/67/574583667.db2.gz WGQMUHDVIFIZPS-JTQLQIEISA-N 0 3 314.223 3.299 20 10 DGCDHN Cc1ccc(O)c(CN[C@@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000733325753 574615891 /nfs/dbraw/zinc/61/58/91/574615891.db2.gz WKEYJADDHMOFEU-KRWDZBQOSA-N 0 3 312.413 3.010 20 10 DGCDHN COc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1O ZINC000733900706 574641775 /nfs/dbraw/zinc/64/17/75/574641775.db2.gz BUCBJCHDVHCIQX-UHFFFAOYSA-N 0 3 309.369 3.081 20 10 DGCDHN C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000734477169 574663802 /nfs/dbraw/zinc/66/38/02/574663802.db2.gz LWCCUDCUOUJOFF-UKRRQHHQSA-N 0 3 311.381 3.499 20 10 DGCDHN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000734477169 574663804 /nfs/dbraw/zinc/66/38/04/574663804.db2.gz LWCCUDCUOUJOFF-UKRRQHHQSA-N 0 3 311.381 3.499 20 10 DGCDHN COc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)c([O-])c1 ZINC000752267458 575829987 /nfs/dbraw/zinc/82/99/87/575829987.db2.gz ZBORNZBQZPFSHX-UHFFFAOYSA-N 0 3 305.418 3.230 20 10 DGCDHN Cc1cc(O)c(CNCC(=O)Nc2ccc(Cl)cc2)cc1C ZINC000742367739 575840275 /nfs/dbraw/zinc/84/02/75/575840275.db2.gz HKSCENDIQQNUNB-UHFFFAOYSA-N 0 3 318.804 3.391 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCn1cccn1 ZINC000725845361 575928475 /nfs/dbraw/zinc/92/84/75/575928475.db2.gz ZPXOYKCRTZNENL-UHFFFAOYSA-N 0 3 307.397 3.436 20 10 DGCDHN CCN(CC)[C@H](C[NH2+]Cc1c([O-])cccc1OC)c1ccco1 ZINC000725849741 575931732 /nfs/dbraw/zinc/93/17/32/575931732.db2.gz WIWFANSYEVKDCC-OAHLLOKOSA-N 0 3 318.417 3.167 20 10 DGCDHN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000111393501 620706234 /nfs/dbraw/zinc/70/62/34/620706234.db2.gz NMMKIFZAPMXREH-HNNXBMFYSA-N 0 3 322.449 3.421 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853553346 620709358 /nfs/dbraw/zinc/70/93/58/620709358.db2.gz DNUDELYALYGMKL-KDOFPFPSSA-N 0 3 317.429 3.220 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853553346 620709360 /nfs/dbraw/zinc/70/93/60/620709360.db2.gz DNUDELYALYGMKL-KDOFPFPSSA-N 0 3 317.429 3.220 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853553348 620709454 /nfs/dbraw/zinc/70/94/54/620709454.db2.gz DNUDELYALYGMKL-KSSFIOAISA-N 0 3 317.429 3.220 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853553348 620709459 /nfs/dbraw/zinc/70/94/59/620709459.db2.gz DNUDELYALYGMKL-KSSFIOAISA-N 0 3 317.429 3.220 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4COC[C@@]4(C)C3)c2c1 ZINC000853567103 620710144 /nfs/dbraw/zinc/71/01/44/620710144.db2.gz SYBGUUKHKPWYGG-AUUYWEPGSA-N 0 3 313.397 3.022 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4COC[C@@]4(C)C3)c2c1 ZINC000853567103 620710145 /nfs/dbraw/zinc/71/01/45/620710145.db2.gz SYBGUUKHKPWYGG-AUUYWEPGSA-N 0 3 313.397 3.022 20 10 DGCDHN CCC(CC)CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853589911 620713555 /nfs/dbraw/zinc/71/35/55/620713555.db2.gz QWKVDGVNWAYCKQ-QGZVFWFLSA-N 0 3 307.434 3.466 20 10 DGCDHN CCC(CC)CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853589911 620713557 /nfs/dbraw/zinc/71/35/57/620713557.db2.gz QWKVDGVNWAYCKQ-QGZVFWFLSA-N 0 3 307.434 3.466 20 10 DGCDHN COc1ccc(CN2CCC[C@H]2c2cccn2C)c(O)c1OC ZINC000891503770 617818627 /nfs/dbraw/zinc/81/86/27/617818627.db2.gz WEIBXMOFYWCQNY-HNNXBMFYSA-N 0 3 316.401 3.085 20 10 DGCDHN COc1ccc(CN(Cc2ccco2)C(C)C)c(O)c1OC ZINC000891587657 617845105 /nfs/dbraw/zinc/84/51/05/617845105.db2.gz XEAOETZYDOUPQM-UHFFFAOYSA-N 0 3 305.374 3.413 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891853215 617912319 /nfs/dbraw/zinc/91/23/19/617912319.db2.gz FINDXPBEQZXSAE-JKSUJKDBSA-N 0 3 323.408 3.238 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891853215 617912322 /nfs/dbraw/zinc/91/23/22/617912322.db2.gz FINDXPBEQZXSAE-JKSUJKDBSA-N 0 3 323.408 3.238 20 10 DGCDHN CN(CCOCC1CC1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000120435421 617977800 /nfs/dbraw/zinc/97/78/00/617977800.db2.gz SHQGNCOEJFDHHE-UHFFFAOYSA-N 0 3 307.434 3.254 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cn(C)nc2C2CC2)cc1 ZINC000892614610 618119298 /nfs/dbraw/zinc/11/92/98/618119298.db2.gz LASTYXLTBOBHBV-UHFFFAOYSA-N 0 3 312.461 3.434 20 10 DGCDHN CN1CCCc2cc(C[NH2+]Cc3ccc([O-])c(F)c3)ccc21 ZINC000892732775 618150940 /nfs/dbraw/zinc/15/09/40/618150940.db2.gz LEORNSNZZLOGCA-UHFFFAOYSA-N 0 3 300.377 3.204 20 10 DGCDHN CC[C@@H]([NH2+]CC12CC(C1)CN2)c1ccc(Cl)c(Cl)c1[O-] ZINC000854226605 620785697 /nfs/dbraw/zinc/78/56/97/620785697.db2.gz IRGYEZJHQPZSRT-YAKODHLKSA-N 0 3 315.244 3.492 20 10 DGCDHN CC[C@H]([NH2+]CC12CC(C1)CN2)c1cc(Cl)cc(Cl)c1[O-] ZINC000854226972 620786242 /nfs/dbraw/zinc/78/62/42/620786242.db2.gz KDIBESWOIHDFPY-MEXZMNCTSA-N 0 3 315.244 3.492 20 10 DGCDHN COc1ccc(CNC2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000892814488 618318201 /nfs/dbraw/zinc/31/82/01/618318201.db2.gz YWDKJFNEPBWLIF-UHFFFAOYSA-N 0 3 316.401 3.055 20 10 DGCDHN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(C)cc(OC)c2O)n[nH]1 ZINC000894554918 618384902 /nfs/dbraw/zinc/38/49/02/618384902.db2.gz BPFVCVRBZZSHNF-VXGBXAGGSA-N 0 3 318.421 3.192 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cnn(C)c1Cl ZINC000840975217 618651305 /nfs/dbraw/zinc/65/13/05/618651305.db2.gz DWAYVNPHBSOQIW-CYBMUJFWSA-N 0 3 320.868 3.169 20 10 DGCDHN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000894092807 618708326 /nfs/dbraw/zinc/70/83/26/618708326.db2.gz BYQSZQFJSDSPRI-YVEFUNNKSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000894092807 618708328 /nfs/dbraw/zinc/70/83/28/618708328.db2.gz BYQSZQFJSDSPRI-YVEFUNNKSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000894092807 618708330 /nfs/dbraw/zinc/70/83/30/618708330.db2.gz BYQSZQFJSDSPRI-YVEFUNNKSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000894092807 618708331 /nfs/dbraw/zinc/70/83/31/618708331.db2.gz BYQSZQFJSDSPRI-YVEFUNNKSA-N 0 3 322.399 3.119 20 10 DGCDHN Cc1ccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000895799039 618833168 /nfs/dbraw/zinc/83/31/68/618833168.db2.gz GEABNKDBRICBAQ-KRWDZBQOSA-N 0 3 319.445 3.156 20 10 DGCDHN COCC1C[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000895971853 618856046 /nfs/dbraw/zinc/85/60/46/618856046.db2.gz UXYFXLDDXHLKQK-UHFFFAOYSA-N 0 3 313.397 3.049 20 10 DGCDHN CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000896984531 618998872 /nfs/dbraw/zinc/99/88/72/618998872.db2.gz LEUMXGGLTOZHMJ-CQSZACIVSA-N 0 3 320.433 3.129 20 10 DGCDHN CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000896984531 618998873 /nfs/dbraw/zinc/99/88/73/618998873.db2.gz LEUMXGGLTOZHMJ-CQSZACIVSA-N 0 3 320.433 3.129 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000897298721 619048141 /nfs/dbraw/zinc/04/81/41/619048141.db2.gz HLIODYGVKMNQJP-ZDUSSCGKSA-N 0 3 318.442 3.230 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000897298721 619048144 /nfs/dbraw/zinc/04/81/44/619048144.db2.gz HLIODYGVKMNQJP-ZDUSSCGKSA-N 0 3 318.442 3.230 20 10 DGCDHN CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000897517959 619143769 /nfs/dbraw/zinc/14/37/69/619143769.db2.gz FRWBIQNGBYYVLW-CQSZACIVSA-N 0 3 305.340 3.274 20 10 DGCDHN Cc1ccc(C[NH2+]CC2(C)CCC3(CC2)OCCO3)c([O-])c1 ZINC000897714932 619175572 /nfs/dbraw/zinc/17/55/72/619175572.db2.gz DSYWQQHLKMTGEW-UHFFFAOYSA-N 0 3 305.418 3.114 20 10 DGCDHN COc1cccc(CN[C@@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898177020 619223148 /nfs/dbraw/zinc/22/31/48/619223148.db2.gz IZZFREMEDFWDNQ-ZDUSSCGKSA-N 0 3 315.417 3.248 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c([O-])c1 ZINC000926922914 619249787 /nfs/dbraw/zinc/24/97/87/619249787.db2.gz SFDWUDLWGSODCC-QWHCGFSZSA-N 0 3 316.367 3.378 20 10 DGCDHN CCO[C@H](C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-])CN(C)C ZINC000926959542 619252616 /nfs/dbraw/zinc/25/26/16/619252616.db2.gz JRQQXARSCDCGCF-HIFRSBDPSA-N 0 3 314.857 3.053 20 10 DGCDHN CC[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccccc1[O-] ZINC000926966225 619254124 /nfs/dbraw/zinc/25/41/24/619254124.db2.gz ZFLKBVJPDDOCPS-TZMCWYRMSA-N 0 3 304.356 3.316 20 10 DGCDHN COC(=O)C1(CCCC[NH2+]Cc2ccc(C)cc2[O-])CCC1 ZINC000898407722 619273322 /nfs/dbraw/zinc/27/33/22/619273322.db2.gz CSPVBVUIEGHURA-UHFFFAOYSA-N 0 3 305.418 3.304 20 10 DGCDHN COc1cccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000898516209 619283047 /nfs/dbraw/zinc/28/30/47/619283047.db2.gz NZAZILZDBKMSMR-GOEBONIOSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000898516209 619283048 /nfs/dbraw/zinc/28/30/48/619283048.db2.gz NZAZILZDBKMSMR-GOEBONIOSA-N 0 3 305.418 3.039 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cc(Cl)ccc1[O-] ZINC000903199086 619734935 /nfs/dbraw/zinc/73/49/35/619734935.db2.gz SVZPOVNEODYEKT-NSHDSACASA-N 0 3 305.809 3.357 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cc(Cl)ccc1[O-] ZINC000903199085 619735052 /nfs/dbraw/zinc/73/50/52/619735052.db2.gz SVZPOVNEODYEKT-LLVKDONJSA-N 0 3 305.809 3.357 20 10 DGCDHN COc1nn(C)cc1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000903336735 619759824 /nfs/dbraw/zinc/75/98/24/619759824.db2.gz CJZOKKLAIWGEPF-LBPRGKRZSA-N 0 3 311.385 3.138 20 10 DGCDHN CC[C@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccc(C)cc1[O-] ZINC000903357573 619764580 /nfs/dbraw/zinc/76/45/80/619764580.db2.gz NUDONISHGNSPBC-WMZOPIPTSA-N 0 3 307.434 3.325 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Cl)c1 ZINC000903983065 619848306 /nfs/dbraw/zinc/84/83/06/619848306.db2.gz BFFQXZFXJBAXAU-JQWIXIFHSA-N 0 3 322.758 3.066 20 10 DGCDHN CCN(Cc1cnc2ccccn12)Cc1ccc(N(C)C)cc1 ZINC000153333454 620551561 /nfs/dbraw/zinc/55/15/61/620551561.db2.gz XJOCWVBPOYJRFJ-UHFFFAOYSA-N 0 3 308.429 3.422 20 10 DGCDHN COC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000112962185 620867968 /nfs/dbraw/zinc/86/79/68/620867968.db2.gz AUANQZSQICSSDV-AWEZNQCLSA-N 0 3 315.413 3.412 20 10 DGCDHN COC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000112962185 620867972 /nfs/dbraw/zinc/86/79/72/620867972.db2.gz AUANQZSQICSSDV-AWEZNQCLSA-N 0 3 315.413 3.412 20 10 DGCDHN CCOc1ccc(O)c(CNCc2cc(OC)ccc2F)c1 ZINC000856801228 621023639 /nfs/dbraw/zinc/02/36/39/621023639.db2.gz MOZARONLHQRXED-UHFFFAOYSA-N 0 3 305.349 3.228 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H](C)[C@@H](CO)C2)cc1F ZINC000857061897 621052820 /nfs/dbraw/zinc/05/28/20/621052820.db2.gz WIQPMBMSOPGPBK-GOEBONIOSA-N 0 3 308.441 3.122 20 10 DGCDHN CC(C)(/C=C/Cl)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000922644085 621072209 /nfs/dbraw/zinc/07/22/09/621072209.db2.gz FYJGEFANYXOGFU-MDZDMXLPSA-N 0 3 308.853 3.268 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCc1cccc2oc(C)nc21 ZINC000922770253 621097559 /nfs/dbraw/zinc/09/75/59/621097559.db2.gz IBZOGABALOCYRN-UHFFFAOYSA-N 0 3 312.369 3.183 20 10 DGCDHN Cc1ccccc1[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858134886 621156082 /nfs/dbraw/zinc/15/60/82/621156082.db2.gz JKRZULCLNQIARL-SFHVURJKSA-N 0 3 320.383 3.162 20 10 DGCDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccccc1 ZINC000858164687 621160546 /nfs/dbraw/zinc/16/05/46/621160546.db2.gz CTMRTTUJJPIHQX-SGTLLEGYSA-N 0 3 320.383 3.243 20 10 DGCDHN Cc1ncsc1CCNCc1cc(F)c(N(C)C)cc1F ZINC000858172613 621161162 /nfs/dbraw/zinc/16/11/62/621161162.db2.gz DAKFHCWEDFAMOG-UHFFFAOYSA-N 0 3 311.401 3.128 20 10 DGCDHN CO[C@](C)([C@H](C)NCc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000858177293 621161647 /nfs/dbraw/zinc/16/16/47/621161647.db2.gz OBSQOWVHXHHDSW-APPDUMDISA-N 0 3 312.404 3.324 20 10 DGCDHN CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000858496980 621198134 /nfs/dbraw/zinc/19/81/34/621198134.db2.gz WUKNIEKEIQYMMB-LBPRGKRZSA-N 0 3 316.376 3.365 20 10 DGCDHN CC[C@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000858526938 621201468 /nfs/dbraw/zinc/20/14/68/621201468.db2.gz BPYYMFLKUOGGQX-HKUYNNGSSA-N 0 3 323.440 3.357 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccccc1[O-] ZINC000858540627 621203332 /nfs/dbraw/zinc/20/33/32/621203332.db2.gz KFAZMBNMXLZTCE-HNNXBMFYSA-N 0 3 304.434 3.082 20 10 DGCDHN CCO[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CC1 ZINC000859191131 621258709 /nfs/dbraw/zinc/25/87/09/621258709.db2.gz WQKXZRNMAFJBKC-HKUYNNGSSA-N 0 3 319.445 3.188 20 10 DGCDHN CCO[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CC1 ZINC000859191131 621258712 /nfs/dbraw/zinc/25/87/12/621258712.db2.gz WQKXZRNMAFJBKC-HKUYNNGSSA-N 0 3 319.445 3.188 20 10 DGCDHN CCCC[N@H+](CCC(=O)N1CCCC1)Cc1ccccc1[O-] ZINC000838983265 621310838 /nfs/dbraw/zinc/31/08/38/621310838.db2.gz NLSLDVIOQWOZFR-UHFFFAOYSA-N 0 3 304.434 3.007 20 10 DGCDHN CCCC[N@@H+](CCC(=O)N1CCCC1)Cc1ccccc1[O-] ZINC000838983265 621310840 /nfs/dbraw/zinc/31/08/40/621310840.db2.gz NLSLDVIOQWOZFR-UHFFFAOYSA-N 0 3 304.434 3.007 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)c([O-])c1 ZINC000839191823 621346908 /nfs/dbraw/zinc/34/69/08/621346908.db2.gz KCINWTXROVEREV-HZPDHXFCSA-N 0 3 307.434 3.473 20 10 DGCDHN c1nc(-c2ccncc2)sc1CNCc1ccc2c(c1)CCO2 ZINC000753368785 621438295 /nfs/dbraw/zinc/43/82/95/621438295.db2.gz RCAYZLNOOPAZFO-UHFFFAOYSA-N 0 3 323.421 3.430 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CC[C@H]1CCCCO1)C[C@H]1CCCO1 ZINC000754070160 621484769 /nfs/dbraw/zinc/48/47/69/621484769.db2.gz WVQKHSUGRJFTFD-QZTJIDSGSA-N 0 3 319.445 3.332 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CC[C@H]1CCCCO1)C[C@H]1CCCO1 ZINC000754070160 621484771 /nfs/dbraw/zinc/48/47/71/621484771.db2.gz WVQKHSUGRJFTFD-QZTJIDSGSA-N 0 3 319.445 3.332 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CC[C@@H]1CCCCO1)C[C@H]1CCCO1 ZINC000754070164 621484859 /nfs/dbraw/zinc/48/48/59/621484859.db2.gz WVQKHSUGRJFTFD-ZWKOTPCHSA-N 0 3 319.445 3.332 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CC[C@@H]1CCCCO1)C[C@H]1CCCO1 ZINC000754070164 621484861 /nfs/dbraw/zinc/48/48/61/621484861.db2.gz WVQKHSUGRJFTFD-ZWKOTPCHSA-N 0 3 319.445 3.332 20 10 DGCDHN COc1cc(CN2CCN(C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000754723525 621528132 /nfs/dbraw/zinc/52/81/32/621528132.db2.gz OGOBNMOTZNBCHI-UHFFFAOYSA-N 0 3 320.477 3.224 20 10 DGCDHN CN1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000862483040 621594352 /nfs/dbraw/zinc/59/43/52/621594352.db2.gz NWPRVKASDNXRRB-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]C2CCN(C3CC3)CC2)c2c1c(F)ccc2[O-] ZINC000756368886 621632012 /nfs/dbraw/zinc/63/20/12/621632012.db2.gz RJZKQXXINGVUTA-NHYWBVRUSA-N 0 3 304.409 3.296 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)nc2)c2c1c(F)ccc2[O-] ZINC000756401424 621635446 /nfs/dbraw/zinc/63/54/46/621635446.db2.gz PBVXXJQEBYWCRZ-BXUZGUMPSA-N 0 3 315.392 3.330 20 10 DGCDHN COc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(OC)c1 ZINC000756494833 621642151 /nfs/dbraw/zinc/64/21/51/621642151.db2.gz HSZOBICTHQIPJY-LBPRGKRZSA-N 0 3 319.376 3.442 20 10 DGCDHN COCCOCCCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756516177 621644450 /nfs/dbraw/zinc/64/44/50/621644450.db2.gz IDFMMVCXTKQPAU-JSGCOSHPSA-N 0 3 311.397 3.112 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756517954 621644638 /nfs/dbraw/zinc/64/46/38/621644638.db2.gz RIRWOGJETOWBCE-PWSUYJOCSA-N 0 3 324.396 3.194 20 10 DGCDHN COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756533661 621645544 /nfs/dbraw/zinc/64/55/44/621645544.db2.gz GDJPSQLEHIDKOA-LBPRGKRZSA-N 0 3 304.365 3.403 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)Cc3ccccc3C2)c([O-])c1 ZINC000756596883 621651852 /nfs/dbraw/zinc/65/18/52/621651852.db2.gz IFDWVKSPNJUDBL-INIZCTEOSA-N 0 3 324.468 3.450 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c2c1c(F)ccc2[O-] ZINC000756606029 621652170 /nfs/dbraw/zinc/65/21/70/621652170.db2.gz KPZAEMYEKBGOKA-RCASKQETSA-N 0 3 305.393 3.483 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756654148 621656295 /nfs/dbraw/zinc/65/62/95/621656295.db2.gz HDTJTWQPBFDWFW-UGFHNGPFSA-N 0 3 301.361 3.403 20 10 DGCDHN COc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(C)c(C)c1O ZINC000756710668 621659444 /nfs/dbraw/zinc/65/94/44/621659444.db2.gz DWZKPKUKVSZVLT-WMLDXEAASA-N 0 3 315.413 3.402 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000756736446 621661860 /nfs/dbraw/zinc/66/18/60/621661860.db2.gz NWIMQEAFIMBAJS-NQBHXWOUSA-N 0 3 320.408 3.069 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1[O-] ZINC000756763284 621662701 /nfs/dbraw/zinc/66/27/01/621662701.db2.gz WRSKDWFKQCFSLS-WBMJQRKESA-N 0 3 320.408 3.116 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)n2)c2c1c(F)ccc2[O-] ZINC000756770274 621663426 /nfs/dbraw/zinc/66/34/26/621663426.db2.gz VTVSXOOMLYOEDW-FZMZJTMJSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@H]1C[C@H](NCc2cccc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756770274 621663430 /nfs/dbraw/zinc/66/34/30/621663430.db2.gz VTVSXOOMLYOEDW-FZMZJTMJSA-N 0 3 315.392 3.330 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c([O-])c1 ZINC000756765792 621663527 /nfs/dbraw/zinc/66/35/27/621663527.db2.gz RBPUWQBWIMVGIV-LSDHHAIUSA-N 0 3 305.418 3.079 20 10 DGCDHN COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C2 ZINC000756774907 621663734 /nfs/dbraw/zinc/66/37/34/621663734.db2.gz MHQHJKDBRNNKEE-FZMZJTMJSA-N 0 3 317.360 3.194 20 10 DGCDHN CCOc1ccc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)OC)c([O-])c1 ZINC000757801860 621740665 /nfs/dbraw/zinc/74/06/65/621740665.db2.gz YBUKBGBATNJDPH-CRAIPNDOSA-N 0 3 321.417 3.002 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CC(C)(C)OC)c2c1 ZINC000758412263 621780961 /nfs/dbraw/zinc/78/09/61/621780961.db2.gz NXPSWVCHQPBCEF-UHFFFAOYSA-N 0 3 303.402 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CC(C)(C)OC)c2c1 ZINC000758412263 621780962 /nfs/dbraw/zinc/78/09/62/621780962.db2.gz NXPSWVCHQPBCEF-UHFFFAOYSA-N 0 3 303.402 3.411 20 10 DGCDHN O=c1[nH]ccc2oc(CNCCCSc3nccs3)cc21 ZINC000865469560 621928510 /nfs/dbraw/zinc/92/85/10/621928510.db2.gz ZBNHNTRISAPZSV-UHFFFAOYSA-N 0 3 321.427 3.262 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c([O-])c1 ZINC000865762315 621990719 /nfs/dbraw/zinc/99/07/19/621990719.db2.gz NOCMNHYKKIKNAG-QAPCUYQASA-N 0 3 305.418 3.086 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)CC2(C)OCCO2)c([O-])c1 ZINC000866426808 622116210 /nfs/dbraw/zinc/11/62/10/622116210.db2.gz DWUCGZAOONZHGV-UKRRQHHQSA-N 0 3 307.434 3.449 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c([O-])c1 ZINC000866462898 622122208 /nfs/dbraw/zinc/12/22/08/622122208.db2.gz CQJLXCZNBFQQEG-BPNCWPANSA-N 0 3 305.340 3.299 20 10 DGCDHN CC[C@@H](NCc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)(F)F ZINC000765786727 622287470 /nfs/dbraw/zinc/28/74/70/622287470.db2.gz IDPKFSURMDOLFS-HUUCEWRRSA-N 0 3 318.383 3.324 20 10 DGCDHN CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000789778214 625565956 /nfs/dbraw/zinc/56/59/56/625565956.db2.gz GNZDGCZSYGOTEJ-ROUUACIJSA-N 0 3 303.377 3.379 20 10 DGCDHN CCOC(=O)CC1([NH2+]Cc2ccc(OCC)cc2[O-])CCCC1 ZINC000789780013 625566393 /nfs/dbraw/zinc/56/63/93/625566393.db2.gz UNDUXURFAYZURY-UHFFFAOYSA-N 0 3 321.417 3.147 20 10 DGCDHN COCC[NH+](CCOC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768143860 622441952 /nfs/dbraw/zinc/44/19/52/622441952.db2.gz ZROZQVZQIQNTHK-UHFFFAOYSA-N 0 3 315.413 3.154 20 10 DGCDHN C[N@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439051 622456156 /nfs/dbraw/zinc/45/61/56/622456156.db2.gz YVTPZGPBKCAVSP-MRXNPFEDSA-N 0 3 319.788 3.103 20 10 DGCDHN C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439051 622456157 /nfs/dbraw/zinc/45/61/57/622456157.db2.gz YVTPZGPBKCAVSP-MRXNPFEDSA-N 0 3 319.788 3.103 20 10 DGCDHN C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768443050 622456478 /nfs/dbraw/zinc/45/64/78/622456478.db2.gz YBQMOZWONSGMHX-YOEHRIQHSA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768443050 622456480 /nfs/dbraw/zinc/45/64/80/622456480.db2.gz YBQMOZWONSGMHX-YOEHRIQHSA-N 0 3 324.424 3.145 20 10 DGCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCCCC3)CC1)[C@@H](O)CO2 ZINC000768446603 622456957 /nfs/dbraw/zinc/45/69/57/622456957.db2.gz ZDGXWUWDKDFFLR-KRWDZBQOSA-N 0 3 317.429 3.364 20 10 DGCDHN CC(C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768465160 622458060 /nfs/dbraw/zinc/45/80/60/622458060.db2.gz XXBZBZQNKFBGKK-KRWDZBQOSA-N 0 3 305.418 3.076 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768465606 622458207 /nfs/dbraw/zinc/45/82/07/622458207.db2.gz IVPKJZBORJKJBV-JLBUNGTFSA-N 0 3 311.381 3.011 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768465606 622458211 /nfs/dbraw/zinc/45/82/11/622458211.db2.gz IVPKJZBORJKJBV-JLBUNGTFSA-N 0 3 311.381 3.011 20 10 DGCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768465606 622458212 /nfs/dbraw/zinc/45/82/12/622458212.db2.gz IVPKJZBORJKJBV-JLBUNGTFSA-N 0 3 311.381 3.011 20 10 DGCDHN CCOc1ccc(C[N@H+](CC)CCc2ccccn2)c([O-])c1 ZINC000769035868 622493898 /nfs/dbraw/zinc/49/38/98/622493898.db2.gz XGRMUGPIJGSYNY-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN CCOc1ccc(C[N@@H+](CC)CCc2ccccn2)c([O-])c1 ZINC000769035868 622493899 /nfs/dbraw/zinc/49/38/99/622493899.db2.gz XGRMUGPIJGSYNY-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@@H]2CC(=O)OC)cc1F ZINC000769485190 622533033 /nfs/dbraw/zinc/53/30/33/622533033.db2.gz ZGJRCSGHQRRRAY-OAHLLOKOSA-N 0 3 322.424 3.199 20 10 DGCDHN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1c([O-])cccc1OC ZINC000769498066 622533881 /nfs/dbraw/zinc/53/38/81/622533881.db2.gz LGUHOFSHYWOMBH-INIZCTEOSA-N 0 3 315.413 3.174 20 10 DGCDHN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1OC ZINC000769498066 622533883 /nfs/dbraw/zinc/53/38/83/622533883.db2.gz LGUHOFSHYWOMBH-INIZCTEOSA-N 0 3 315.413 3.174 20 10 DGCDHN C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000769516922 622537371 /nfs/dbraw/zinc/53/73/71/622537371.db2.gz UWIKJASKZZIUJY-CQSZACIVSA-N 0 3 308.853 3.209 20 10 DGCDHN C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000769516922 622537374 /nfs/dbraw/zinc/53/73/74/622537374.db2.gz UWIKJASKZZIUJY-CQSZACIVSA-N 0 3 308.853 3.209 20 10 DGCDHN CN(C)c1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000769934686 622578910 /nfs/dbraw/zinc/57/89/10/622578910.db2.gz ULEJYFMBWHQYIA-UHFFFAOYSA-N 0 3 310.397 3.260 20 10 DGCDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000770504533 622640589 /nfs/dbraw/zinc/64/05/89/622640589.db2.gz IJPPRGIEEZUEDH-ZFWWWQNUSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[O-] ZINC000770504533 622640592 /nfs/dbraw/zinc/64/05/92/622640592.db2.gz IJPPRGIEEZUEDH-ZFWWWQNUSA-N 0 3 320.433 3.270 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000872813293 622984304 /nfs/dbraw/zinc/98/43/04/622984304.db2.gz JHCCCNSSOLXVPQ-CYBMUJFWSA-N 0 3 303.324 3.162 20 10 DGCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc[nH]1 ZINC000773115860 622986800 /nfs/dbraw/zinc/98/68/00/622986800.db2.gz AITPMOKSFVZDHK-ZIAGYGMSSA-N 0 3 317.408 3.402 20 10 DGCDHN COc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1Cn1cccn1 ZINC000873131997 623044184 /nfs/dbraw/zinc/04/41/84/623044184.db2.gz CATQGESRXOCBGP-IAGOWNOFSA-N 0 3 317.408 3.310 20 10 DGCDHN CCC(C)(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774480464 623150663 /nfs/dbraw/zinc/15/06/63/623150663.db2.gz CCYIKESFWSLIGM-KGLIPLIRSA-N 0 3 305.466 3.097 20 10 DGCDHN COc1cc(CN2CCOCC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000774660569 623172347 /nfs/dbraw/zinc/17/23/47/623172347.db2.gz ORHDPNRFZNQFJO-ZDUSSCGKSA-N 0 3 307.434 3.309 20 10 DGCDHN CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1nccs1 ZINC000775025752 623217646 /nfs/dbraw/zinc/21/76/46/623217646.db2.gz WFNCOTDPSHOVAA-SNVBAGLBSA-N 0 3 323.374 3.006 20 10 DGCDHN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000775129959 623233856 /nfs/dbraw/zinc/23/38/56/623233856.db2.gz JBAIGKQMKFLOMP-GFCCVEGCSA-N 0 3 302.330 3.030 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1[O-] ZINC000775158127 623236918 /nfs/dbraw/zinc/23/69/18/623236918.db2.gz NROYBYLWLRDJKF-HNNXBMFYSA-N 0 3 324.852 3.161 20 10 DGCDHN CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000775412716 623271698 /nfs/dbraw/zinc/27/16/98/623271698.db2.gz OJMHSYKNWLHQFM-INIZCTEOSA-N 0 3 316.357 3.420 20 10 DGCDHN COc1ccc(O)c(CN(C)Cc2ccc(OC)c(OC)c2)c1 ZINC000775642720 623300546 /nfs/dbraw/zinc/30/05/46/623300546.db2.gz NEUGZXKZXSAEDU-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN CCc1nn(C)cc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000775652260 623305314 /nfs/dbraw/zinc/30/53/14/623305314.db2.gz WNHZTDBAOGTBOO-UHFFFAOYSA-N 0 3 314.477 3.459 20 10 DGCDHN C[C@H](NCC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775834717 623339426 /nfs/dbraw/zinc/33/94/26/623339426.db2.gz PIDMRCQTIPDWMY-VKJFTORMSA-N 0 3 317.477 3.098 20 10 DGCDHN C[C@@H](NCC(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775835497 623339567 /nfs/dbraw/zinc/33/95/67/623339567.db2.gz ZXGDQJLTMIODPX-OAHLLOKOSA-N 0 3 311.429 3.066 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCSC2)c1[O-] ZINC000776231025 623400314 /nfs/dbraw/zinc/40/03/14/623400314.db2.gz FOTUDCPHLGFBQQ-GFCCVEGCSA-N 0 3 316.264 3.448 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@H](C4CC4)C3)c2c1 ZINC000776773657 623461619 /nfs/dbraw/zinc/46/16/19/623461619.db2.gz USESXCCVQSYXDP-IBGZPJMESA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@H](C4CC4)C3)c2c1 ZINC000776773657 623461622 /nfs/dbraw/zinc/46/16/22/623461622.db2.gz USESXCCVQSYXDP-IBGZPJMESA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCO[C@H](C4CC4)C3)c2c1 ZINC000776773657 623461624 /nfs/dbraw/zinc/46/16/24/623461624.db2.gz USESXCCVQSYXDP-IBGZPJMESA-N 0 3 313.397 3.165 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c([O-])c1 ZINC000777439505 623524708 /nfs/dbraw/zinc/52/47/08/623524708.db2.gz IYBBJJRKXGGHFF-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c([O-])c1 ZINC000777439505 623524710 /nfs/dbraw/zinc/52/47/10/623524710.db2.gz IYBBJJRKXGGHFF-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1[O-] ZINC000777440477 623525841 /nfs/dbraw/zinc/52/58/41/623525841.db2.gz XKURIJNLYJGKSB-INIZCTEOSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1[O-] ZINC000777440477 623525845 /nfs/dbraw/zinc/52/58/45/623525845.db2.gz XKURIJNLYJGKSB-INIZCTEOSA-N 0 3 305.418 3.182 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000778188743 623622260 /nfs/dbraw/zinc/62/22/60/623622260.db2.gz INGMDFADSUHGQH-GOSISDBHSA-N 0 3 319.408 3.360 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000876552927 623641335 /nfs/dbraw/zinc/64/13/35/623641335.db2.gz CZIMNNQTWWKYJR-OAHLLOKOSA-N 0 3 322.412 3.123 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000876552927 623641340 /nfs/dbraw/zinc/64/13/40/623641340.db2.gz CZIMNNQTWWKYJR-OAHLLOKOSA-N 0 3 322.412 3.123 20 10 DGCDHN CCN(Cc1ccccc1O)Cc1ccc(OC)cc1OC ZINC000778995499 623717677 /nfs/dbraw/zinc/71/76/77/623717677.db2.gz ASPSIDOLFGHLFM-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccc(OC)cc1OC ZINC000778995499 623717680 /nfs/dbraw/zinc/71/76/80/623717680.db2.gz ASPSIDOLFGHLFM-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccc(OC)cc1OC ZINC000778995499 623717688 /nfs/dbraw/zinc/71/76/88/623717688.db2.gz ASPSIDOLFGHLFM-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1COc2ccccc2O1 ZINC000778994925 623718594 /nfs/dbraw/zinc/71/85/94/623718594.db2.gz LIVORIBPCLJMIE-OAHLLOKOSA-N 0 3 317.360 3.193 20 10 DGCDHN CC[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1COc2ccccc2O1 ZINC000778994925 623718599 /nfs/dbraw/zinc/71/85/99/623718599.db2.gz LIVORIBPCLJMIE-OAHLLOKOSA-N 0 3 317.360 3.193 20 10 DGCDHN C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000779007965 623720177 /nfs/dbraw/zinc/72/01/77/623720177.db2.gz OQXWENHOKQRKCJ-QGZVFWFLSA-N 0 3 310.441 3.489 20 10 DGCDHN C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1[O-] ZINC000779007965 623720180 /nfs/dbraw/zinc/72/01/80/623720180.db2.gz OQXWENHOKQRKCJ-QGZVFWFLSA-N 0 3 310.441 3.489 20 10 DGCDHN COc1ccc2c(c1)CCC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000779008903 623720620 /nfs/dbraw/zinc/72/06/20/623720620.db2.gz DMJDBDYRECNZKW-UHFFFAOYSA-N 0 3 301.361 3.488 20 10 DGCDHN COc1ccc2c(c1)CCC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000779008903 623720623 /nfs/dbraw/zinc/72/06/23/623720623.db2.gz DMJDBDYRECNZKW-UHFFFAOYSA-N 0 3 301.361 3.488 20 10 DGCDHN COCCOc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876928576 623747048 /nfs/dbraw/zinc/74/70/48/623747048.db2.gz JNEPPIQAQXGIMB-UHFFFAOYSA-N 0 3 301.386 3.016 20 10 DGCDHN CCN(CC)[C@H](C[NH2+]Cc1c(C)cccc1[O-])c1ccco1 ZINC000876988286 623760731 /nfs/dbraw/zinc/76/07/31/623760731.db2.gz BEDHUAYKUGCFHW-MRXNPFEDSA-N 0 3 302.418 3.466 20 10 DGCDHN COc1ccc(COCCC[NH2+]Cc2c(C)cccc2[O-])cc1 ZINC000877005198 623764527 /nfs/dbraw/zinc/76/45/27/623764527.db2.gz PBEKUMRDEAHMKJ-UHFFFAOYSA-N 0 3 315.413 3.406 20 10 DGCDHN COc1ccc(COCCC[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877005284 623764625 /nfs/dbraw/zinc/76/46/25/623764625.db2.gz QUNYDVJKFKEIDE-UHFFFAOYSA-N 0 3 315.413 3.406 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000877008192 623764981 /nfs/dbraw/zinc/76/49/81/623764981.db2.gz HCVOQEKVHLTENU-UHFFFAOYSA-N 0 3 324.424 3.160 20 10 DGCDHN [O-]c1c(C[NH2+]C2CCN(C3CCCC3)CC2)ccc(F)c1F ZINC000877083586 623787744 /nfs/dbraw/zinc/78/77/44/623787744.db2.gz NXYUFQOERJASIO-UHFFFAOYSA-N 0 3 310.388 3.167 20 10 DGCDHN [O-]c1c(CNC2CC[NH+](C3CCCC3)CC2)ccc(F)c1F ZINC000877083586 623787749 /nfs/dbraw/zinc/78/77/49/623787749.db2.gz NXYUFQOERJASIO-UHFFFAOYSA-N 0 3 310.388 3.167 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000877131359 623799456 /nfs/dbraw/zinc/79/94/56/623799456.db2.gz YKAJIXZEQDZFMH-UGSOOPFHSA-N 0 3 303.377 3.442 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000877377722 623862630 /nfs/dbraw/zinc/86/26/30/623862630.db2.gz WJFHWDJPPUGUHU-HNNXBMFYSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000877377722 623862636 /nfs/dbraw/zinc/86/26/36/623862636.db2.gz WJFHWDJPPUGUHU-HNNXBMFYSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc(O)c1CN1CCC(C(=O)C(F)(F)F)CC1 ZINC000877420580 623875493 /nfs/dbraw/zinc/87/54/93/623875493.db2.gz XRBDTCWSGUBSLD-UHFFFAOYSA-N 0 3 301.308 3.044 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000877460264 623892825 /nfs/dbraw/zinc/89/28/25/623892825.db2.gz RZOICYULMLINGS-WFASDCNBSA-N 0 3 317.351 3.274 20 10 DGCDHN CO[C@@]1(C(F)(F)F)CCCN(Cc2ccc(C)cc2O)C1 ZINC000877460746 623893404 /nfs/dbraw/zinc/89/34/04/623893404.db2.gz UKQQVOHCBRQPHU-AWEZNQCLSA-N 0 3 303.324 3.244 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccnn2CC2CCC2)c1 ZINC000877533041 623928878 /nfs/dbraw/zinc/92/88/78/623928878.db2.gz KBCZQQMCIOSFSN-CYBMUJFWSA-N 0 3 315.417 3.248 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000877557917 623940479 /nfs/dbraw/zinc/94/04/79/623940479.db2.gz YZDNYORRPQMIEA-AWEZNQCLSA-N 0 3 322.449 3.484 20 10 DGCDHN COc1cc(CNCc2cc(C)ccc2O)c(Cl)cc1O ZINC000877652949 623978913 /nfs/dbraw/zinc/97/89/13/623978913.db2.gz RGXIATYELBWOMR-UHFFFAOYSA-N 0 3 307.777 3.358 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C[C@H]1C ZINC000877755515 624021748 /nfs/dbraw/zinc/02/17/48/624021748.db2.gz CZOWFVNGMCHQJQ-KBUPBQIOSA-N 0 3 305.418 3.411 20 10 DGCDHN C[C@H]([NH2+]CCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000877758241 624024171 /nfs/dbraw/zinc/02/41/71/624024171.db2.gz OPCZSTJADKRYKV-ZDUSSCGKSA-N 0 3 320.433 3.300 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1[O-] ZINC000877807521 624040447 /nfs/dbraw/zinc/04/04/47/624040447.db2.gz WTYDTUGKJOBCJA-SWHYSGLUSA-N 0 3 311.809 3.101 20 10 DGCDHN CCc1cccc(CN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000877823614 624056173 /nfs/dbraw/zinc/05/61/73/624056173.db2.gz XLPYIQITJYACPJ-RISCZKNCSA-N 0 3 317.351 3.496 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC1(O)CCCCC1 ZINC000878152798 624192246 /nfs/dbraw/zinc/19/22/46/624192246.db2.gz YQNNRPZGDSPSDD-QGZVFWFLSA-N 0 3 321.461 3.050 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC1(O)CCCCC1 ZINC000878152798 624192247 /nfs/dbraw/zinc/19/22/47/624192247.db2.gz YQNNRPZGDSPSDD-QGZVFWFLSA-N 0 3 321.461 3.050 20 10 DGCDHN C[C@@H]1OCC[C@@H]1C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000878240776 624224146 /nfs/dbraw/zinc/22/41/46/624224146.db2.gz KUELRRIMHBBOSV-LSDHHAIUSA-N 0 3 301.386 3.412 20 10 DGCDHN C[C@@H]1OCC[C@@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000878240776 624224148 /nfs/dbraw/zinc/22/41/48/624224148.db2.gz KUELRRIMHBBOSV-LSDHHAIUSA-N 0 3 301.386 3.412 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccccc1[O-] ZINC000878362502 624256828 /nfs/dbraw/zinc/25/68/28/624256828.db2.gz BDQDOQCABBQYKO-GDBMZVCRSA-N 0 3 305.418 3.161 20 10 DGCDHN CCOCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000783425564 624348465 /nfs/dbraw/zinc/34/84/65/624348465.db2.gz UMVLAHYPSGAEPV-UHFFFAOYSA-N 0 3 301.386 3.397 20 10 DGCDHN CCOCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000783425564 624348466 /nfs/dbraw/zinc/34/84/66/624348466.db2.gz UMVLAHYPSGAEPV-UHFFFAOYSA-N 0 3 301.386 3.397 20 10 DGCDHN CO[C@]1(C(F)(F)F)CCCN(Cc2cccc(C)c2O)C1 ZINC000783718771 624387557 /nfs/dbraw/zinc/38/75/57/624387557.db2.gz RTXWOYFLAGYZTM-CQSZACIVSA-N 0 3 303.324 3.244 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ccccc1[O-] ZINC000879647525 624620982 /nfs/dbraw/zinc/62/09/82/624620982.db2.gz COUGPMPODFGINX-HUUCEWRRSA-N 0 3 324.424 3.411 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879648512 624621279 /nfs/dbraw/zinc/62/12/79/624621279.db2.gz RRZVNLWXYBDNPS-IIAWOOMASA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1[O-] ZINC000879649307 624622752 /nfs/dbraw/zinc/62/27/52/624622752.db2.gz NADNOHKUZIYUHJ-HIFRSBDPSA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1[O-] ZINC000879650582 624624593 /nfs/dbraw/zinc/62/45/93/624624593.db2.gz IFGVGXHQCLTLMR-LSDHHAIUSA-N 0 3 318.461 3.328 20 10 DGCDHN Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000879651627 624624624 /nfs/dbraw/zinc/62/46/24/624624624.db2.gz DUUWXICOPVIGRU-JKSUJKDBSA-N 0 3 315.413 3.100 20 10 DGCDHN CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879651240 624624633 /nfs/dbraw/zinc/62/46/33/624624633.db2.gz OHSDMICYIQWESK-ZDUSSCGKSA-N 0 3 314.385 3.080 20 10 DGCDHN C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC000879651774 624624813 /nfs/dbraw/zinc/62/48/13/624624813.db2.gz KGBLEZVXVGOMHO-LBPRGKRZSA-N 0 3 302.330 3.030 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1[O-] ZINC000785990242 624774949 /nfs/dbraw/zinc/77/49/49/624774949.db2.gz ZXSUXVHEJCUVAE-MJVIPROJSA-N 0 3 313.825 3.036 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1[O-] ZINC000785990242 624774953 /nfs/dbraw/zinc/77/49/53/624774953.db2.gz ZXSUXVHEJCUVAE-MJVIPROJSA-N 0 3 313.825 3.036 20 10 DGCDHN CCOC(CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)OCC ZINC000786971687 624968654 /nfs/dbraw/zinc/96/86/54/624968654.db2.gz XRUYYUXVAWTDDA-AAEUAGOBSA-N 0 3 311.397 3.458 20 10 DGCDHN CC[C@@H](NCc1cccn(CC)c1=O)c1ccc(N(C)C)cc1 ZINC000788607112 625226671 /nfs/dbraw/zinc/22/66/71/625226671.db2.gz IACOAWKLOSCQOX-GOSISDBHSA-N 0 3 313.445 3.175 20 10 DGCDHN CCN(C)c1ccc(CNCc2ccc(N(C)C)cc2C)cn1 ZINC000790964848 625725018 /nfs/dbraw/zinc/72/50/18/625725018.db2.gz OJJDZKLPCSIGCW-UHFFFAOYSA-N 0 3 312.461 3.202 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000130300884 625836018 /nfs/dbraw/zinc/83/60/18/625836018.db2.gz DZHFXBIRSAGOKP-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000883085167 625921992 /nfs/dbraw/zinc/92/19/92/625921992.db2.gz KGOKKKSHFVCPSP-OLZOCXBDSA-N 0 3 324.415 3.413 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H](CO)CC2CCCC2)c([O-])c1 ZINC000798503028 626221725 /nfs/dbraw/zinc/22/17/25/626221725.db2.gz BGRCJZRZKWOHDK-HNNXBMFYSA-N 0 3 307.434 3.069 20 10 DGCDHN CCCN(CCC)c1ccc(CN(CC)[C@H]2CCNC2=O)cc1 ZINC000799737896 626326495 /nfs/dbraw/zinc/32/64/95/626326495.db2.gz QBSWSLHNWREMKC-SFHVURJKSA-N 0 3 317.477 3.023 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)c1[O-] ZINC000808706796 626372869 /nfs/dbraw/zinc/37/28/69/626372869.db2.gz VCDXELMWIKGAAT-FDMGOTLNSA-N 0 3 303.855 3.162 20 10 DGCDHN CCCC[N@H+](CCCN1CCCC1=O)Cc1ccccc1[O-] ZINC000801595583 626411327 /nfs/dbraw/zinc/41/13/27/626411327.db2.gz OTVKYQITQBHWQL-UHFFFAOYSA-N 0 3 304.434 3.007 20 10 DGCDHN CCCC[N@@H+](CCCN1CCCC1=O)Cc1ccccc1[O-] ZINC000801595583 626411329 /nfs/dbraw/zinc/41/13/29/626411329.db2.gz OTVKYQITQBHWQL-UHFFFAOYSA-N 0 3 304.434 3.007 20 10 DGCDHN CCCC[N@H+](Cc1ccc2c(c1)nnn2C)Cc1ccccc1[O-] ZINC000801597012 626411619 /nfs/dbraw/zinc/41/16/19/626411619.db2.gz XNQOUXNFOCYBTJ-UHFFFAOYSA-N 0 3 324.428 3.476 20 10 DGCDHN CCCC[N@@H+](Cc1ccc2c(c1)nnn2C)Cc1ccccc1[O-] ZINC000801597012 626411621 /nfs/dbraw/zinc/41/16/21/626411621.db2.gz XNQOUXNFOCYBTJ-UHFFFAOYSA-N 0 3 324.428 3.476 20 10 DGCDHN CCCC[N@H+](CCOC[C@H]1CCCO1)Cc1ccccc1[O-] ZINC000801597163 626411954 /nfs/dbraw/zinc/41/19/54/626411954.db2.gz CPXQGINCDJHJMJ-QGZVFWFLSA-N 0 3 307.434 3.190 20 10 DGCDHN CCCC[N@@H+](CCOC[C@H]1CCCO1)Cc1ccccc1[O-] ZINC000801597163 626411955 /nfs/dbraw/zinc/41/19/55/626411955.db2.gz CPXQGINCDJHJMJ-QGZVFWFLSA-N 0 3 307.434 3.190 20 10 DGCDHN C[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)OCCc2ccccc21 ZINC000883341692 626654021 /nfs/dbraw/zinc/65/40/21/626654021.db2.gz XRMBXODZHOHENJ-XLIONFOSSA-N 0 3 309.409 3.457 20 10 DGCDHN C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000806180531 626704772 /nfs/dbraw/zinc/70/47/72/626704772.db2.gz OXVOEXWHIPLADR-GXTWGEPZSA-N 0 3 305.805 3.472 20 10 DGCDHN Oc1cc2c(cc1CN1CCC3(C1)Oc1ccccc1O3)CCC2 ZINC000808239414 626807767 /nfs/dbraw/zinc/80/77/67/626807767.db2.gz VXTZSXJDFIZJBJ-UHFFFAOYSA-N 0 3 323.392 3.254 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c([O-])c1 ZINC000808452927 626826579 /nfs/dbraw/zinc/82/65/79/626826579.db2.gz VBVFYYZHWMNMQW-OAHLLOKOSA-N 0 3 317.360 3.023 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1[O-] ZINC000808695533 626850548 /nfs/dbraw/zinc/85/05/48/626850548.db2.gz OANOFMCZKVWLBA-QWHCGFSZSA-N 0 3 313.825 3.058 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000808701792 626851017 /nfs/dbraw/zinc/85/10/17/626851017.db2.gz IRFJNAOPXYMFIN-ZWNOBZJWSA-N 0 3 305.809 3.285 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)NC2CCCC2)c1[O-] ZINC000808705799 626851588 /nfs/dbraw/zinc/85/15/88/626851588.db2.gz SGDIMIPNCAKWAV-NSHDSACASA-N 0 3 310.825 3.063 20 10 DGCDHN COC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000808708387 626851743 /nfs/dbraw/zinc/85/17/43/626851743.db2.gz LPFNKOJORLKNQZ-GFCCVEGCSA-N 0 3 313.825 3.200 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000808706219 626851923 /nfs/dbraw/zinc/85/19/23/626851923.db2.gz FFOKXCRKBLQJTC-WCQYABFASA-N 0 3 324.852 3.404 20 10 DGCDHN CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712018 626852421 /nfs/dbraw/zinc/85/24/21/626852421.db2.gz YYHPTVFVDNUIRR-LLVKDONJSA-N 0 3 312.841 3.167 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1[O-] ZINC000808717584 626853203 /nfs/dbraw/zinc/85/32/03/626853203.db2.gz FECJVWUWQPOBJE-NEPJUHHUSA-N 0 3 310.825 3.016 20 10 DGCDHN CC(C)(C)C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840148812 626868631 /nfs/dbraw/zinc/86/86/31/626868631.db2.gz ANTOCHDWFMQVFW-MLGOLLRUSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)(C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840148812 626868635 /nfs/dbraw/zinc/86/86/35/626868635.db2.gz ANTOCHDWFMQVFW-MLGOLLRUSA-N 0 3 305.418 3.076 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4C[C@H]3CS4)c2c1 ZINC000840169072 626903199 /nfs/dbraw/zinc/90/31/99/626903199.db2.gz RCWUSYCQHHBZGC-JSGCOSHPSA-N 0 3 301.411 3.244 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4C[C@H]3CS4)c2c1 ZINC000840169072 626903202 /nfs/dbraw/zinc/90/32/02/626903202.db2.gz RCWUSYCQHHBZGC-JSGCOSHPSA-N 0 3 301.411 3.244 20 10 DGCDHN c1cncc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000809728553 626942524 /nfs/dbraw/zinc/94/25/24/626942524.db2.gz BCAMSVWGQIIQTM-HXUWFJFHSA-N 0 3 323.440 3.255 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758535 626948102 /nfs/dbraw/zinc/94/81/02/626948102.db2.gz PJIYNRGKYJAHJC-CABCVRRESA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758535 626948103 /nfs/dbraw/zinc/94/81/03/626948103.db2.gz PJIYNRGKYJAHJC-CABCVRRESA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758536 626948404 /nfs/dbraw/zinc/94/84/04/626948404.db2.gz PJIYNRGKYJAHJC-GJZGRUSLSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758536 626948407 /nfs/dbraw/zinc/94/84/07/626948407.db2.gz PJIYNRGKYJAHJC-GJZGRUSLSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1cccc(CN(C)Cc2ccccc2N(C)C)c1O ZINC000809787368 626952946 /nfs/dbraw/zinc/95/29/46/626952946.db2.gz AMPMGRUTMNJRGU-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000810170326 626983834 /nfs/dbraw/zinc/98/38/34/626983834.db2.gz IQEGDNANKHMLDL-KRWDZBQOSA-N 0 3 319.426 3.040 20 10 DGCDHN COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000810257734 626993828 /nfs/dbraw/zinc/99/38/28/626993828.db2.gz UYDTWHWVKAAAID-AAEUAGOBSA-N 0 3 301.814 3.056 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c([O-])c1 ZINC000886764024 627201626 /nfs/dbraw/zinc/20/16/26/627201626.db2.gz JOROCWXJUIAOMU-LDDOYCOJSA-N 0 3 305.418 3.078 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c([O-])c1 ZINC000886764025 627201653 /nfs/dbraw/zinc/20/16/53/627201653.db2.gz JOROCWXJUIAOMU-LLDVTBCESA-N 0 3 305.418 3.078 20 10 DGCDHN CC[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])OC ZINC000811518356 627286484 /nfs/dbraw/zinc/28/64/84/627286484.db2.gz LLXOFVRPRPWRPP-KRWDZBQOSA-N 0 3 315.413 3.486 20 10 DGCDHN Cc1cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815119744 627630265 /nfs/dbraw/zinc/63/02/65/627630265.db2.gz GHQOGZRTALGZEF-QZTJIDSGSA-N 0 3 302.462 3.450 20 10 DGCDHN COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000815122876 627631644 /nfs/dbraw/zinc/63/16/44/627631644.db2.gz QJTQQQWGJWMRSR-HOCLYGCPSA-N 0 3 305.418 3.384 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H](CO)C2CCCCC2)c([O-])c1 ZINC000815150784 627638110 /nfs/dbraw/zinc/63/81/10/627638110.db2.gz OKYCLVPDJNEJGM-MRXNPFEDSA-N 0 3 307.434 3.069 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000815580110 627686906 /nfs/dbraw/zinc/68/69/06/627686906.db2.gz CFOYSUDHZFXVRD-XHSDSOJGSA-N 0 3 318.461 3.307 20 10 DGCDHN CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816514710 627800622 /nfs/dbraw/zinc/80/06/22/627800622.db2.gz FTKPBAINXSRUMO-ZDUSSCGKSA-N 0 3 314.832 3.491 20 10 DGCDHN CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816514710 627800624 /nfs/dbraw/zinc/80/06/24/627800624.db2.gz FTKPBAINXSRUMO-ZDUSSCGKSA-N 0 3 314.832 3.491 20 10 DGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCN1CCCCC1 ZINC000816530669 627803556 /nfs/dbraw/zinc/80/35/56/627803556.db2.gz QBZSVMYAMSWLCM-UHFFFAOYSA-N 0 3 300.805 3.150 20 10 DGCDHN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CN1CCCC1 ZINC000816536444 627804166 /nfs/dbraw/zinc/80/41/66/627804166.db2.gz XVXXOJLKGWSXMW-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN C[NH+]1CCC2(CCCN2Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816583478 627811448 /nfs/dbraw/zinc/81/14/48/627811448.db2.gz LRNUEVAJNGIHII-UHFFFAOYSA-N 0 3 312.816 3.245 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c([O-])c1 ZINC000816656611 627821861 /nfs/dbraw/zinc/82/18/61/627821861.db2.gz YXWOHLHGDULREI-GOSISDBHSA-N 0 3 317.429 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c([O-])c1 ZINC000816656611 627821865 /nfs/dbraw/zinc/82/18/65/627821865.db2.gz YXWOHLHGDULREI-GOSISDBHSA-N 0 3 317.429 3.182 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@@H]3CCCN3C)c2c1 ZINC000817372900 627890899 /nfs/dbraw/zinc/89/08/99/627890899.db2.gz LHCKPRVVICDODD-HNNXBMFYSA-N 0 3 314.429 3.080 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@@H]3CCCN3C)c2c1 ZINC000817372900 627890903 /nfs/dbraw/zinc/89/09/03/627890903.db2.gz LHCKPRVVICDODD-HNNXBMFYSA-N 0 3 314.429 3.080 20 10 DGCDHN COc1cc([C@@H](C)N[C@H](C)Cc2ccc(N(C)C)cc2C)on1 ZINC000926595219 627919934 /nfs/dbraw/zinc/91/99/34/627919934.db2.gz HHTMVBXPGSIQKY-ZIAGYGMSSA-N 0 3 317.433 3.339 20 10 DGCDHN C[C@H]([NH2+]CCCNCc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000817941311 627968527 /nfs/dbraw/zinc/96/85/27/627968527.db2.gz RZPURIDVKJTJFP-ZDUSSCGKSA-N 0 3 319.836 3.271 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000817942304 627969876 /nfs/dbraw/zinc/96/98/76/627969876.db2.gz NZNYXLPMOJJQBB-ROUUACIJSA-N 0 3 313.445 3.199 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000817969518 627978374 /nfs/dbraw/zinc/97/83/74/627978374.db2.gz VWDJPONNEHHOJN-BPNCWPANSA-N 0 3 316.367 3.450 20 10 DGCDHN C[C@H]([NH2+]CCCNC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984425 627983801 /nfs/dbraw/zinc/98/38/01/627983801.db2.gz SLBKMVSDDADFRI-VIFPVBQESA-N 0 3 303.233 3.492 20 10 DGCDHN Cc1cc(O)c(C[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822210777 628429483 /nfs/dbraw/zinc/42/94/83/628429483.db2.gz QQUUQBOETKRETG-ZDUSSCGKSA-N 0 3 323.400 3.040 20 10 DGCDHN Cc1cc(O)c(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822210777 628429486 /nfs/dbraw/zinc/42/94/86/628429486.db2.gz QQUUQBOETKRETG-ZDUSSCGKSA-N 0 3 323.400 3.040 20 10 DGCDHN Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822210523 628429764 /nfs/dbraw/zinc/42/97/64/628429764.db2.gz FXJBXHUJTVWJAF-ZDUSSCGKSA-N 0 3 323.400 3.040 20 10 DGCDHN COc1cc(F)cc(CNCc2ccc(N(C)C)cc2C)c1 ZINC000823851703 628603036 /nfs/dbraw/zinc/60/30/36/628603036.db2.gz WSHMGTMOLFGWDC-UHFFFAOYSA-N 0 3 302.393 3.499 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2C(=O)OC)c([O-])c1 ZINC000824626409 628678150 /nfs/dbraw/zinc/67/81/50/628678150.db2.gz ZAWFKKWQKYNKQT-CVEARBPZSA-N 0 3 321.417 3.002 20 10 DGCDHN FCC1(NCc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000824691075 628684005 /nfs/dbraw/zinc/68/40/05/628684005.db2.gz SQKZUAHVUDDAIJ-UHFFFAOYSA-N 0 3 306.425 3.285 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC000824766349 628691669 /nfs/dbraw/zinc/69/16/69/628691669.db2.gz UHARIFWADVOMIY-CYBMUJFWSA-N 0 3 304.217 3.464 20 10 DGCDHN CN1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C[C@@H]21 ZINC000824893580 628703578 /nfs/dbraw/zinc/70/35/78/628703578.db2.gz WHFRVKLLFAKHGL-MJGOQNOKSA-N 0 3 308.425 3.195 20 10 DGCDHN CN1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C[C@@H]21 ZINC000824893580 628703579 /nfs/dbraw/zinc/70/35/79/628703579.db2.gz WHFRVKLLFAKHGL-MJGOQNOKSA-N 0 3 308.425 3.195 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)c1[O-] ZINC000825041023 628720178 /nfs/dbraw/zinc/72/01/78/628720178.db2.gz YZJVPIMOPQKTKA-CYBMUJFWSA-N 0 3 315.841 3.283 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)c1[O-] ZINC000825041023 628720179 /nfs/dbraw/zinc/72/01/79/628720179.db2.gz YZJVPIMOPQKTKA-CYBMUJFWSA-N 0 3 315.841 3.283 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC000825104178 628728172 /nfs/dbraw/zinc/72/81/72/628728172.db2.gz QEQXVQFTPDDVNC-IAGOWNOFSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC000825104178 628728175 /nfs/dbraw/zinc/72/81/75/628728175.db2.gz QEQXVQFTPDDVNC-IAGOWNOFSA-N 0 3 305.418 3.180 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1[O-] ZINC000825133512 628730898 /nfs/dbraw/zinc/73/08/98/628730898.db2.gz IEPVKHHQHLYBPM-MRXNPFEDSA-N 0 3 311.809 3.057 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1[O-] ZINC000825133512 628730901 /nfs/dbraw/zinc/73/09/01/628730901.db2.gz IEPVKHHQHLYBPM-MRXNPFEDSA-N 0 3 311.809 3.057 20 10 DGCDHN COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000825325370 628749777 /nfs/dbraw/zinc/74/97/77/628749777.db2.gz BRCQRKMCVDLYAB-NSHDSACASA-N 0 3 307.340 3.400 20 10 DGCDHN CC(C)N1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825337983 628751423 /nfs/dbraw/zinc/75/14/23/628751423.db2.gz KFMGIDWJMRNWIR-GFCCVEGCSA-N 0 3 300.805 3.099 20 10 DGCDHN CC(C)N1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825337983 628751424 /nfs/dbraw/zinc/75/14/24/628751424.db2.gz KFMGIDWJMRNWIR-GFCCVEGCSA-N 0 3 300.805 3.099 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])c(C)c1 ZINC000825752757 628794280 /nfs/dbraw/zinc/79/42/80/628794280.db2.gz ITBVPEJWIDVRRQ-UHFFFAOYSA-N 0 3 301.386 3.398 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2COC(C)(C)C2)c1[O-] ZINC000826796049 628888111 /nfs/dbraw/zinc/88/81/11/628888111.db2.gz GPHAZIOXQBCVHJ-GFCCVEGCSA-N 0 3 314.223 3.120 20 10 DGCDHN CCOC(=O)N[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CC(C)C ZINC000834501995 629718456 /nfs/dbraw/zinc/71/84/56/629718456.db2.gz LRVDSDWYFJKDIA-CABCVRRESA-N 0 3 320.433 3.130 20 10 DGCDHN Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)cc1 ZINC000834668243 629752475 /nfs/dbraw/zinc/75/24/75/629752475.db2.gz IXTNSKFOMBTWNA-SJORKVTESA-N 0 3 322.408 3.083 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H](O)c1cccc(F)c1 ZINC000834676468 629755181 /nfs/dbraw/zinc/75/51/81/629755181.db2.gz UXZFJPWUQALSPV-BKGUAONASA-N 0 3 301.361 3.230 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H](O)C(F)F ZINC000834875502 629795078 /nfs/dbraw/zinc/79/50/78/629795078.db2.gz QBVGVDJPIPGKHC-IEQSHNCZSA-N 0 3 303.324 3.074 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])[C@H](O)C(F)F ZINC000834875864 629795093 /nfs/dbraw/zinc/79/50/93/629795093.db2.gz UWSUOBDCVLTWSP-WLTAIBSBSA-N 0 3 307.768 3.409 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])[C@@H](O)C(F)F ZINC000834875862 629795615 /nfs/dbraw/zinc/79/56/15/629795615.db2.gz UWSUOBDCVLTWSP-LJUAHTATSA-N 0 3 307.768 3.409 20 10 DGCDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834880790 629795956 /nfs/dbraw/zinc/79/59/56/629795956.db2.gz QUPWUFYQTCFZAS-YWPYICTPSA-N 0 3 313.825 3.056 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])[C@@H](C)O ZINC000834888255 629798770 /nfs/dbraw/zinc/79/87/70/629798770.db2.gz NZTVRUZGHUKVJU-BREBYQMCSA-N 0 3 316.239 3.273 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCO[C@H](c3ccncc3)C1)CC2 ZINC000834895077 629800454 /nfs/dbraw/zinc/80/04/54/629800454.db2.gz XDLXYAVFJGGSSX-JZXOWHBKSA-N 0 3 310.397 3.284 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c([O-])c1 ZINC000834910962 629806844 /nfs/dbraw/zinc/80/68/44/629806844.db2.gz HADDUTGDVOWPSY-VBQJREDUSA-N 0 3 315.417 3.005 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2cccc(N(C)C)n2)cc1 ZINC000835040501 629831813 /nfs/dbraw/zinc/83/18/13/629831813.db2.gz DKHWCTGUWPOWEJ-SREVYHEPSA-N 0 3 310.445 3.017 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000835040910 629831922 /nfs/dbraw/zinc/83/19/22/629831922.db2.gz VYXJHSXHJURGKF-LLHWWHOWSA-N 0 3 314.404 3.228 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000835040912 629832421 /nfs/dbraw/zinc/83/24/21/629832421.db2.gz VYXJHSXHJURGKF-ZRHASKPBSA-N 0 3 314.404 3.228 20 10 DGCDHN Cc1ccccc1[C@@H](CO)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835042075 629833160 /nfs/dbraw/zinc/83/31/60/629833160.db2.gz GPWCQXMRAYUWFH-CPSHHHPTSA-N 0 3 310.441 3.397 20 10 DGCDHN COc1cc(F)cc(C[C@H](C)[NH2+]Cc2c([O-])cccc2OC)c1 ZINC000835054620 629838887 /nfs/dbraw/zinc/83/88/87/629838887.db2.gz LSYHGZLIUFYWGZ-LBPRGKRZSA-N 0 3 319.376 3.269 20 10 DGCDHN CO[C@@H]1COC[C@@H]1N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000840824466 630362924 /nfs/dbraw/zinc/36/29/24/630362924.db2.gz NDDUKHJIOKNXHU-ZYSHUDEJSA-N 0 3 318.461 3.131 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccccc1[O-] ZINC000840881061 630371529 /nfs/dbraw/zinc/37/15/29/630371529.db2.gz NLUJEESTJQLWQZ-RHSMWYFYSA-N 0 3 303.377 3.348 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000840899143 630374244 /nfs/dbraw/zinc/37/42/44/630374244.db2.gz ZHXCXVGOKGNZED-WBVHZDCISA-N 0 3 312.388 3.387 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[NH2+]Cc1nnc(-c2ccccc2)[n-]1 ZINC000840936089 630380493 /nfs/dbraw/zinc/38/04/93/630380493.db2.gz GTFPQOITPQGQSA-UHFFFAOYSA-N 0 3 321.428 3.136 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1nnc(-c2ccccc2)[nH]1 ZINC000840936089 630380494 /nfs/dbraw/zinc/38/04/94/630380494.db2.gz GTFPQOITPQGQSA-UHFFFAOYSA-N 0 3 321.428 3.136 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)OCC2CC2)c1[O-] ZINC000840960255 630386074 /nfs/dbraw/zinc/38/60/74/630386074.db2.gz IYTPCZPOIXBVOP-UHFFFAOYSA-N 0 3 313.825 3.349 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1[O-] ZINC000840964696 630387475 /nfs/dbraw/zinc/38/74/75/630387475.db2.gz ZPLIMLPTZDSKLG-AWEZNQCLSA-N 0 3 323.795 3.359 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1[O-] ZINC000842887583 630589659 /nfs/dbraw/zinc/58/96/59/630589659.db2.gz ZNZPSZVUQUXOHE-BXUZGUMPSA-N 0 3 324.852 3.404 20 10 DGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])[C@@H]1SC ZINC000843430482 630657380 /nfs/dbraw/zinc/65/73/80/630657380.db2.gz XEYYDQRTLCBUKB-NFAWXSAZSA-N 0 3 315.866 3.353 20 10 DGCDHN C[C@H](NCc1ccc(C[NH3+])cc1F)c1cc(F)cc(F)c1[O-] ZINC000844925842 630988028 /nfs/dbraw/zinc/98/80/28/630988028.db2.gz VPXQLCADGKEAHC-VIFPVBQESA-N 0 3 310.319 3.119 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cnc(C(C)(C)C)nc2)c1 ZINC000845970845 631204108 /nfs/dbraw/zinc/20/41/08/631204108.db2.gz DCYMMKLWSBLPJO-LBPRGKRZSA-N 0 3 315.417 3.339 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccnn2CC(C)C)c1 ZINC000845970598 631204125 /nfs/dbraw/zinc/20/41/25/631204125.db2.gz ACRXFJYKUXYFNC-ZDUSSCGKSA-N 0 3 303.406 3.104 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccccc1[O-] ZINC000846123673 631211071 /nfs/dbraw/zinc/21/10/71/631211071.db2.gz UDCFAJPLLQQNJE-CVEARBPZSA-N 0 3 312.413 3.209 20 10 DGCDHN COc1cccc([C@@H](C)NCc2c(C)cc(C)nc2OC)c1O ZINC000846142921 631211863 /nfs/dbraw/zinc/21/18/63/631211863.db2.gz BWTBAXTVIFYQPV-CYBMUJFWSA-N 0 3 316.401 3.272 20 10 DGCDHN COC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846150588 631212258 /nfs/dbraw/zinc/21/22/58/631212258.db2.gz JFJZVCOUUBLYTK-CJNGLKHVSA-N 0 3 301.386 3.439 20 10 DGCDHN COC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846150587 631212292 /nfs/dbraw/zinc/21/22/92/631212292.db2.gz JFJZVCOUUBLYTK-BBRMVZONSA-N 0 3 301.386 3.439 20 10 DGCDHN COc1cccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1O ZINC000846155735 631212545 /nfs/dbraw/zinc/21/25/45/631212545.db2.gz CIDGVCYMGYGHQO-MNOVXSKESA-N 0 3 304.394 3.054 20 10 DGCDHN COc1cccc([C@H](C)N[C@@H](CCO)c2ccccc2F)c1O ZINC000846175145 631213479 /nfs/dbraw/zinc/21/34/79/631213479.db2.gz XFEQSVWBKVQCOD-LRDDRELGSA-N 0 3 319.376 3.314 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)c([O-])c1 ZINC000846181515 631213733 /nfs/dbraw/zinc/21/37/33/631213733.db2.gz ZQSDDEJNTJIBNP-YWZLYKJASA-N 0 3 311.425 3.228 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCO[C@H](c3ccncc3)C1)CC2 ZINC000846205025 631214637 /nfs/dbraw/zinc/21/46/37/631214637.db2.gz XDLXYAVFJGGSSX-RYRKJORJSA-N 0 3 310.397 3.284 20 10 DGCDHN C/C(=C/c1cccnc1)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000846864816 631333080 /nfs/dbraw/zinc/33/30/80/631333080.db2.gz DXNFXYFQQPGZMQ-RXBGNRNISA-N 0 3 321.424 3.004 20 10 DGCDHN C[C@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000848566326 631695792 /nfs/dbraw/zinc/69/57/92/631695792.db2.gz VBKBWIPSKXSEFO-IJAQBYFRSA-N 0 3 313.372 3.328 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCc2ncc(C)cc2C)c1[O-] ZINC000848923949 631789970 /nfs/dbraw/zinc/78/99/70/631789970.db2.gz TVCMZBTWRCVPSF-UHFFFAOYSA-N 0 3 320.820 3.398 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1[O-] ZINC000848927799 631790884 /nfs/dbraw/zinc/79/08/84/631790884.db2.gz NUFZOEKVJKYSIN-HUUCEWRRSA-N 0 3 324.852 3.161 20 10 DGCDHN Cn1ncc(C2CCC2)c1CNCc1ccc2c(c1)CCCN2C ZINC000850099695 632056115 /nfs/dbraw/zinc/05/61/15/632056115.db2.gz UINCBQVJBBBMPD-UHFFFAOYSA-N 0 3 324.472 3.360 20 10 DGCDHN COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000850113793 632058809 /nfs/dbraw/zinc/05/88/09/632058809.db2.gz VWBMTQZPGSGMQR-AWEZNQCLSA-N 0 3 301.386 3.096 20 10 DGCDHN COc1ccc(N2CC[C@@H](NCc3ccccc3F)C2)cc1 ZINC000850345557 632120148 /nfs/dbraw/zinc/12/01/48/632120148.db2.gz DUOFQGHBFPXQMW-OAHLLOKOSA-N 0 3 300.377 3.203 20 10 DGCDHN CCc1ccc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000850347301 632120681 /nfs/dbraw/zinc/12/06/81/632120681.db2.gz PZUWYMCJWIXSFR-CQSZACIVSA-N 0 3 300.402 3.219 20 10 DGCDHN COC[C@H](NCc1cc(C)c(C)cc1O)c1cccc(OC)c1 ZINC000850361837 632126181 /nfs/dbraw/zinc/12/61/81/632126181.db2.gz FTKCGGKRVGRWFO-SFHVURJKSA-N 0 3 315.413 3.495 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c([O-])c1 ZINC000850411588 632144021 /nfs/dbraw/zinc/14/40/21/632144021.db2.gz GCBXEDXFDFINGF-KUHUBIRLSA-N 0 3 315.413 3.045 20 10 DGCDHN COc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1C ZINC000850416668 632145688 /nfs/dbraw/zinc/14/56/88/632145688.db2.gz NVYWFKORWJKYKW-UHFFFAOYSA-N 0 3 302.393 3.499 20 10 DGCDHN CNC(=O)CC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCCCC1 ZINC000850553953 632191218 /nfs/dbraw/zinc/19/12/18/632191218.db2.gz ABXAUPYXVXSYQL-OAHLLOKOSA-N 0 3 316.445 3.056 20 10 DGCDHN C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000850572131 632198517 /nfs/dbraw/zinc/19/85/17/632198517.db2.gz BLNMGQLIYQCCLZ-FHSNZYRGSA-N 0 3 303.377 3.347 20 10 DGCDHN C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000850583522 632201981 /nfs/dbraw/zinc/20/19/81/632201981.db2.gz OLSNBFBEGRYOCI-VFZGTOFNSA-N 0 3 311.303 3.194 20 10 DGCDHN CCCCN(Cc1ccccc1O)[C@@H](C)c1n[nH]c(CC)n1 ZINC000852018260 632540400 /nfs/dbraw/zinc/54/04/00/632540400.db2.gz KTAWZVQMKPUFCZ-ZDUSSCGKSA-N 0 3 302.422 3.436 20 10 DGCDHN CCCCN(Cc1ccccc1O)[C@H](C)c1n[nH]c(CC)n1 ZINC000852018259 632540604 /nfs/dbraw/zinc/54/06/04/632540604.db2.gz KTAWZVQMKPUFCZ-CYBMUJFWSA-N 0 3 302.422 3.436 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c([O-])c1 ZINC000185164386 660205613 /nfs/dbraw/zinc/20/56/13/660205613.db2.gz YFHVFKAGILHVRG-HUUCEWRRSA-N 0 3 310.397 3.157 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000185314004 660215088 /nfs/dbraw/zinc/21/50/88/660215088.db2.gz YCNOBGHRYFVWLB-ZDUSSCGKSA-N 0 3 308.422 3.218 20 10 DGCDHN COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])C2 ZINC000185334750 660215552 /nfs/dbraw/zinc/21/55/52/660215552.db2.gz BHRHPJRVPOOGAD-HIFRSBDPSA-N 0 3 313.397 3.364 20 10 DGCDHN COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])C2 ZINC000185334766 660215642 /nfs/dbraw/zinc/21/56/42/660215642.db2.gz BHRHPJRVPOOGAD-ZFWWWQNUSA-N 0 3 313.397 3.364 20 10 DGCDHN Cc1cc(CN(C)Cc2ccccc2O)cnc1Br ZINC000929976032 661355015 /nfs/dbraw/zinc/35/50/15/661355015.db2.gz LRTIPNUKKHVRSA-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000186457389 660443550 /nfs/dbraw/zinc/44/35/50/660443550.db2.gz WESWTOPVHCWSRG-ACJLOTCBSA-N 0 3 302.393 3.312 20 10 DGCDHN CC(C)(C)OC(=O)N1CC[C@@](C)([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000701874554 660689749 /nfs/dbraw/zinc/68/97/49/660689749.db2.gz ATTZXXRONQSAHO-QGZVFWFLSA-N 0 3 324.396 3.020 20 10 DGCDHN COc1ccc(O)c(CNCc2ccnn2-c2ccccc2C)c1 ZINC000792985322 660998482 /nfs/dbraw/zinc/99/84/82/660998482.db2.gz YBMCDNLLUGYFKD-UHFFFAOYSA-N 0 3 323.396 3.185 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@]2(C)CO)c(C(F)(F)F)c1 ZINC000793157878 661008362 /nfs/dbraw/zinc/00/83/62/661008362.db2.gz KKHWGFZJDCKADP-OAHLLOKOSA-N 0 3 316.367 3.118 20 10 DGCDHN CCOc1ccc(C[NH2+]CC2(OC)CCC(C)CC2)c([O-])c1 ZINC000793289667 661021479 /nfs/dbraw/zinc/02/14/79/661021479.db2.gz BTDTVQCHWAMLGN-UHFFFAOYSA-N 0 3 307.434 3.476 20 10 DGCDHN COc1ccc2oc(C[NH2+]Cc3ccc(OC)cc3[O-])cc2c1 ZINC000793387330 661029360 /nfs/dbraw/zinc/02/93/60/661029360.db2.gz DFMHJJAUAHLNPV-UHFFFAOYSA-N 0 3 313.353 3.445 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c([O-])c1 ZINC000793609007 661049403 /nfs/dbraw/zinc/04/94/03/661049403.db2.gz MPHMOWVYQWCPIP-UHFFFAOYSA-N 0 3 315.417 3.202 20 10 DGCDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@]3(CCOC3)C2)cc1C(C)C ZINC000794707405 661100436 /nfs/dbraw/zinc/10/04/36/661100436.db2.gz RWIORVCONDVEOQ-DNVCBOLYSA-N 0 3 319.445 3.204 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)CNC2 ZINC000326377119 655719991 /nfs/dbraw/zinc/71/99/91/655719991.db2.gz XBHXGDHVXAJRRO-UHFFFAOYSA-N 0 3 323.440 3.018 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc(F)ccc1[O-] ZINC000176985414 655885727 /nfs/dbraw/zinc/88/57/27/655885727.db2.gz MPBLSABUNJLDLM-WDEREUQCSA-N 0 3 317.364 3.434 20 10 DGCDHN Nc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000309942389 655888099 /nfs/dbraw/zinc/88/80/99/655888099.db2.gz XTVAXSAFSBCBLN-GOSISDBHSA-N 0 3 324.428 3.055 20 10 DGCDHN Nc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000309942390 655888127 /nfs/dbraw/zinc/88/81/27/655888127.db2.gz XTVAXSAFSBCBLN-SFHVURJKSA-N 0 3 324.428 3.055 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCCCCC2=O)c([O-])c1 ZINC000184867782 656121946 /nfs/dbraw/zinc/12/19/46/656121946.db2.gz BPIRSGZBBPKIGM-HNNXBMFYSA-N 0 3 304.434 3.144 20 10 DGCDHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1Cc1ccccc1 ZINC000309849987 656122490 /nfs/dbraw/zinc/12/24/90/656122490.db2.gz ZTJAVIMYEJJSHB-KSSFIOAISA-N 0 3 314.404 3.284 20 10 DGCDHN C[C@H]1CC(F)(F)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000931256364 656193768 /nfs/dbraw/zinc/19/37/68/656193768.db2.gz XUJNONVFVOQBOR-AWEZNQCLSA-N 0 3 310.388 3.143 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC=CO1 ZINC000248741487 657034491 /nfs/dbraw/zinc/03/44/91/657034491.db2.gz AENZKKSRNXWOJH-SJORKVTESA-N 0 3 303.402 3.066 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC=CO1 ZINC000248741487 657034494 /nfs/dbraw/zinc/03/44/94/657034494.db2.gz AENZKKSRNXWOJH-SJORKVTESA-N 0 3 303.402 3.066 20 10 DGCDHN COc1cc(C)cc(CN2CCOC3(CCCCC3)C2)c1O ZINC000178895029 657111201 /nfs/dbraw/zinc/11/12/01/657111201.db2.gz IPTIVZCWFPABOW-UHFFFAOYSA-N 0 3 305.418 3.244 20 10 DGCDHN CC[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1[O-] ZINC000319723036 657162120 /nfs/dbraw/zinc/16/21/20/657162120.db2.gz BEWQXUOWOKRQRB-INIZCTEOSA-N 0 3 318.461 3.470 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000228668878 658000152 /nfs/dbraw/zinc/00/01/52/658000152.db2.gz QYSHUMGZODRFKE-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1[O-] ZINC000305789772 658046340 /nfs/dbraw/zinc/04/63/40/658046340.db2.gz ZNORINLQPLTBOS-ZBFHGGJFSA-N 0 3 307.340 3.445 20 10 DGCDHN CC[C@@H]([NH2+]CCCNC(=O)c1occc1C)c1ccccc1[O-] ZINC000156644358 658931944 /nfs/dbraw/zinc/93/19/44/658931944.db2.gz NUVDVXIONGPLKO-OAHLLOKOSA-N 0 3 316.401 3.154 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)c2nccs2)c1[O-] ZINC000230935869 659359318 /nfs/dbraw/zinc/35/93/18/659359318.db2.gz MGACHUNJQJBBDD-VIFPVBQESA-N 0 3 312.822 3.404 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000174372998 659429499 /nfs/dbraw/zinc/42/94/99/659429499.db2.gz OJUVKWYGHIBPDQ-INIZCTEOSA-N 0 3 318.461 3.251 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000174372998 659429502 /nfs/dbraw/zinc/42/95/02/659429502.db2.gz OJUVKWYGHIBPDQ-INIZCTEOSA-N 0 3 318.461 3.251 20 10 DGCDHN CN1CCN(Cc2cc(F)ccc2O)[C@H](c2ccccc2)C1 ZINC000183246794 660106460 /nfs/dbraw/zinc/10/64/60/660106460.db2.gz VXNCAXFSCOJEFV-KRWDZBQOSA-N 0 3 300.377 3.020 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccccc1[O-] ZINC000183396440 660109562 /nfs/dbraw/zinc/10/95/62/660109562.db2.gz RPNHUDORTLBRQN-HNNXBMFYSA-N 0 3 307.397 3.488 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1ccccc1[O-] ZINC000183409676 660110164 /nfs/dbraw/zinc/11/01/64/660110164.db2.gz QGJIRGVNOFOJNI-OAHLLOKOSA-N 0 3 324.424 3.365 20 10 DGCDHN C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1O ZINC000183674613 660130120 /nfs/dbraw/zinc/13/01/20/660130120.db2.gz XOBFUYAZOINBES-OAHLLOKOSA-N 0 3 311.429 3.317 20 10 DGCDHN COCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])CC(C)C ZINC000184681053 660180776 /nfs/dbraw/zinc/18/07/76/660180776.db2.gz UMXIHMGJAXCWQR-UHFFFAOYSA-N 0 3 301.814 3.159 20 10 DGCDHN COCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])CC(C)C ZINC000184681053 660180777 /nfs/dbraw/zinc/18/07/77/660180777.db2.gz UMXIHMGJAXCWQR-UHFFFAOYSA-N 0 3 301.814 3.159 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929976235 661355058 /nfs/dbraw/zinc/35/50/58/661355058.db2.gz MKYPESAXGKCUEG-OCCSQVGLSA-N 0 3 303.324 3.324 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929976235 661355059 /nfs/dbraw/zinc/35/50/59/661355059.db2.gz MKYPESAXGKCUEG-OCCSQVGLSA-N 0 3 303.324 3.324 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCCCCC1 ZINC000076074507 661966571 /nfs/dbraw/zinc/96/65/71/661966571.db2.gz RQCNLKNOWOWRPU-MRXNPFEDSA-N 0 3 318.461 3.395 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCCCCC1 ZINC000076074507 661966572 /nfs/dbraw/zinc/96/65/72/661966572.db2.gz RQCNLKNOWOWRPU-MRXNPFEDSA-N 0 3 318.461 3.395 20 10 DGCDHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000189520860 661981152 /nfs/dbraw/zinc/98/11/52/661981152.db2.gz VKDSPHKENGNHLX-UKRRQHHQSA-N 0 3 320.433 3.270 20 10 DGCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000090404238 662261986 /nfs/dbraw/zinc/26/19/86/662261986.db2.gz XRVFMHRXSGNRLZ-CYBMUJFWSA-N 0 3 317.458 3.139 20 10 DGCDHN CCCN(CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1ccccc1O ZINC000247575827 662326063 /nfs/dbraw/zinc/32/60/63/662326063.db2.gz SEXOQRJURNCEKB-HZPDHXFCSA-N 0 3 318.461 3.394 20 10 DGCDHN CCN(Cc1cnn(C)c1)Cc1ccc(N(CC)CC)cc1 ZINC000092438194 662330988 /nfs/dbraw/zinc/33/09/88/662330988.db2.gz OCKLMHQEMFSKQS-UHFFFAOYSA-N 0 3 300.450 3.288 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000248499028 662350397 /nfs/dbraw/zinc/35/03/97/662350397.db2.gz MMCDUNGKCRKZNA-PSVSLLHZSA-N 0 3 307.340 3.443 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@H](CO)CC2CCCC2)cc1F ZINC001620914801 1192595643 /nfs/dbraw/zinc/59/56/43/1192595643.db2.gz HEKBDTHEOQWLSK-AWEZNQCLSA-N 0 3 312.404 3.062 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@]2(C)CCCC[C@H]2O)cc1F ZINC001331273131 1178170612 /nfs/dbraw/zinc/17/06/12/1178170612.db2.gz VQRDPKLDDPQBNF-IAGOWNOFSA-N 0 3 312.404 3.062 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@]2(C)CCCC[C@@H]2O)cc1F ZINC001331273133 1178171364 /nfs/dbraw/zinc/17/13/64/1178171364.db2.gz VQRDPKLDDPQBNF-IRXDYDNUSA-N 0 3 312.404 3.062 20 10 DGCDHN COc1ccc(CN[C@H](C)c2cnn(C(C)C)c2)c(O)c1OC ZINC001355253547 1181022339 /nfs/dbraw/zinc/02/23/39/1181022339.db2.gz SCWFOZWNQZLRJW-GFCCVEGCSA-N 0 3 319.405 3.038 20 10 DGCDHN CC(C)c1ccc(O)c(CN2C[C@@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC001462179264 1182918932 /nfs/dbraw/zinc/91/89/32/1182918932.db2.gz NACHXLOEFQMLTE-SPYBWZPUSA-N 0 3 319.445 3.284 20 10 DGCDHN C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)c1ccccc1[O-] ZINC001473723117 1183793307 /nfs/dbraw/zinc/79/33/07/1183793307.db2.gz YMLOSTBHMFZZKY-GFCCVEGCSA-N 0 3 302.349 3.211 20 10 DGCDHN CCN1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H]1C ZINC001474380313 1183913204 /nfs/dbraw/zinc/91/32/04/1183913204.db2.gz OKQCUQVVPBSQPW-AWEZNQCLSA-N 0 3 320.477 3.224 20 10 DGCDHN COc1ccc(OCC[N@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001474406629 1183917161 /nfs/dbraw/zinc/91/71/61/1183917161.db2.gz BAKNTJWQISOQJR-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1ccc(OCC[N@@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001474406629 1183917164 /nfs/dbraw/zinc/91/71/64/1183917164.db2.gz BAKNTJWQISOQJR-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1cc(C)c(CN2Cc3ccccc3OC[C@H]2C)c(O)c1 ZINC001474437122 1183922031 /nfs/dbraw/zinc/92/20/31/1183922031.db2.gz CRAXKEYCUOLUHK-CQSZACIVSA-N 0 3 313.397 3.492 20 10 DGCDHN CCC[C@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539235056 1188183436 /nfs/dbraw/zinc/18/34/36/1188183436.db2.gz JXWCPMSPSRYDJQ-MAUKXSAKSA-N 0 3 319.493 3.298 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC2(OC)CCC(C)CC2)c([O-])c1 ZINC001560803211 1189385632 /nfs/dbraw/zinc/38/56/32/1189385632.db2.gz PHELIUCWBDIONU-UHFFFAOYSA-N 0 3 307.434 3.394 20 10 DGCDHN CC(C)c1ccc(O)c(CN2CCN(C)c3ncccc3C2)c1 ZINC001560981575 1189414674 /nfs/dbraw/zinc/41/46/74/1189414674.db2.gz PPLSACNUXGLQCP-UHFFFAOYSA-N 0 3 311.429 3.363 20 10 DGCDHN COC(=O)c1c(CN2CC[C@@H](C)[C@H]2C)c2cc(F)ccc2n1C ZINC001621136602 1193807268 /nfs/dbraw/zinc/80/72/68/1193807268.db2.gz VXYDQCVYGQTPKA-VXGBXAGGSA-N 0 3 318.392 3.334 20 10 DGCDHN Cc1ccnc(N2CCN(Cc3ccc(N(C)C)cc3C)CC2)c1 ZINC001621184721 1193814211 /nfs/dbraw/zinc/81/42/11/1193814211.db2.gz AWBMKWAAJVHMSY-UHFFFAOYSA-N 0 3 324.472 3.087 20 10 DGCDHN CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001647040761 1195243057 /nfs/dbraw/zinc/24/30/57/1195243057.db2.gz WVMARBMLLVYZSB-OLZOCXBDSA-N 0 3 300.805 3.147 20 10 DGCDHN CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@H]1CCCCO1 ZINC001651269065 1195436107 /nfs/dbraw/zinc/43/61/07/1195436107.db2.gz JEEKVIHYIJONNP-NVXWUHKLSA-N 0 3 312.404 3.468 20 10 DGCDHN Cc1ccc(CN[C@H](CC(N)=O)c2ccc(Cl)cc2)c(O)c1 ZINC001652146701 1195553257 /nfs/dbraw/zinc/55/32/57/1195553257.db2.gz VRMPBSSFCMPLRA-OAHLLOKOSA-N 0 3 318.804 3.060 20 10 DGCDHN Cc1ccc(CNCc2cccc3c2OC(F)(F)O3)c(O)c1 ZINC001652885365 1195666459 /nfs/dbraw/zinc/66/64/59/1195666459.db2.gz KYSIJHONLKJYEO-UHFFFAOYSA-N 0 3 307.296 3.312 20 10 DGCDHN COc1cc(C)c(C[NH+]2CC(Cc3cccs3)C2)c([O-])c1 ZINC001652917719 1195671319 /nfs/dbraw/zinc/67/13/19/1195671319.db2.gz PXQVLXGJILSTNT-UHFFFAOYSA-N 0 3 303.427 3.445 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1[O-] ZINC001654532631 1195813473 /nfs/dbraw/zinc/81/34/73/1195813473.db2.gz YHGGWXXBEKGZBY-SNVBAGLBSA-N 0 3 322.767 3.474 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@@H]2COc3ccccc3C2)cc1F ZINC001657172153 1196114864 /nfs/dbraw/zinc/11/48/64/1196114864.db2.gz FWZMWXCJNPWLMZ-AWEZNQCLSA-N 0 3 318.367 3.124 20 10 DGCDHN CO[C@H](CNCc1c(C)c2ccccc2n1C)C(F)(F)F ZINC001657187964 1196117282 /nfs/dbraw/zinc/11/72/82/1196117282.db2.gz QTXFAJVBJQWALV-CQSZACIVSA-N 0 3 300.324 3.154 20 10 DGCDHN COCC1(NCc2cc(F)c(N(C)C)cc2F)CCCCC1 ZINC001657734622 1196174131 /nfs/dbraw/zinc/17/41/31/1196174131.db2.gz KREAGJBPBBJLLU-UHFFFAOYSA-N 0 3 312.404 3.470 20 10 DGCDHN CC[C@H]1CCCN1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001658219263 1196225765 /nfs/dbraw/zinc/22/57/65/1196225765.db2.gz VPZDYWFGZNWFQH-ZDUSSCGKSA-N 0 3 318.392 3.478 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC001659543343 1196393727 /nfs/dbraw/zinc/39/37/27/1196393727.db2.gz ZPEDODWZESTSNJ-OAHLLOKOSA-N 0 3 307.434 3.404 20 10 DGCDHN Cc1ccc(O)c(CNCc2cnn(-c3ccccc3C)c2)c1 ZINC001659690684 1196406213 /nfs/dbraw/zinc/40/62/13/1196406213.db2.gz YAAIKEGMVGKITC-UHFFFAOYSA-N 0 3 307.397 3.485 20 10 DGCDHN C[NH+](C)CC[C@H](NCc1ccc(Cl)cc1[O-])c1cccnc1 ZINC001660741969 1196517930 /nfs/dbraw/zinc/51/79/30/1196517930.db2.gz FXSSQZKJUKDCTO-INIZCTEOSA-N 0 3 319.836 3.223 20 10 DGCDHN Cc1noc(-c2ccc(CNCc3ccc4c(c3)CCO4)cc2)n1 ZINC001662163125 1196688688 /nfs/dbraw/zinc/68/86/88/1196688688.db2.gz URSGZHCVVDIHOW-UHFFFAOYSA-N 0 3 321.380 3.270 20 10 DGCDHN CC(C)n1ncc2c1[C@H]([NH2+]Cc1cc(F)ccc1[O-])CCC2 ZINC001664171363 1196977050 /nfs/dbraw/zinc/97/70/50/1196977050.db2.gz WMZUEWKDZYSWOQ-OAHLLOKOSA-N 0 3 303.381 3.476 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)CC2CCCC2)c1[O-] ZINC001664465369 1197002107 /nfs/dbraw/zinc/00/21/07/1197002107.db2.gz GVGLTTXBBVGBAK-CQSZACIVSA-N 0 3 313.825 3.085 20 10 DGCDHN CC/C(C)=C\C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001716291168 1203457777 /nfs/dbraw/zinc/45/77/77/1203457777.db2.gz LBIHXQIDHVPDQY-OKYPJBATSA-N 0 3 316.445 3.122 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169781636 1081654251 /nfs/dbraw/zinc/65/42/51/1081654251.db2.gz GPTUWUWYZAHRHZ-GOSISDBHSA-N 0 3 324.424 3.129 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169781636 1081654253 /nfs/dbraw/zinc/65/42/53/1081654253.db2.gz GPTUWUWYZAHRHZ-GOSISDBHSA-N 0 3 324.424 3.129 20 10 DGCDHN Cc1cncc(NCc2ccc(N3CCN(C)CC3)cc2)c1C ZINC001167434542 1082114147 /nfs/dbraw/zinc/11/41/47/1082114147.db2.gz PGFJOYUKXMAUIJ-UHFFFAOYSA-N 0 3 310.445 3.062 20 10 DGCDHN Cc1ccnc(C)c1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434706 1082114322 /nfs/dbraw/zinc/11/43/22/1082114322.db2.gz TUOPUSIHHUPGJG-UHFFFAOYSA-N 0 3 310.445 3.062 20 10 DGCDHN C[C@@H](NCc1ccccc1O)c1ccc(Br)cn1 ZINC000695250270 1083247514 /nfs/dbraw/zinc/24/75/14/1083247514.db2.gz QLYFSLLSQDRPRK-SNVBAGLBSA-N 0 3 307.191 3.401 20 10 DGCDHN CCCCN1CCC([N@H+](C)Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139689187 1084210025 /nfs/dbraw/zinc/21/00/25/1084210025.db2.gz DYEROJOEKUWFIR-UHFFFAOYSA-N 0 3 312.404 3.367 20 10 DGCDHN CCCCN1CCC([N@@H+](C)Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139689187 1084210039 /nfs/dbraw/zinc/21/00/39/1084210039.db2.gz DYEROJOEKUWFIR-UHFFFAOYSA-N 0 3 312.404 3.367 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c([O-])c1 ZINC000093593848 1087141616 /nfs/dbraw/zinc/14/16/16/1087141616.db2.gz GLGWDMMURDGFPJ-CQSZACIVSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c([O-])c1 ZINC000093593848 1087141619 /nfs/dbraw/zinc/14/16/19/1087141619.db2.gz GLGWDMMURDGFPJ-CQSZACIVSA-N 0 3 313.397 3.399 20 10 DGCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001203550089 1090753414 /nfs/dbraw/zinc/75/34/14/1090753414.db2.gz HGUYLMOUXFBZFY-AWEZNQCLSA-N 0 3 320.433 3.224 20 10 DGCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001203550089 1090753418 /nfs/dbraw/zinc/75/34/18/1090753418.db2.gz HGUYLMOUXFBZFY-AWEZNQCLSA-N 0 3 320.433 3.224 20 10 DGCDHN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC001203556187 1090754518 /nfs/dbraw/zinc/75/45/18/1090754518.db2.gz MROHBMQAPVCGQA-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC001203556187 1090754521 /nfs/dbraw/zinc/75/45/21/1090754521.db2.gz MROHBMQAPVCGQA-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001203551369 1090754797 /nfs/dbraw/zinc/75/47/97/1090754797.db2.gz DYTDZQSLCYSKJZ-OIISXLGYSA-N 0 3 317.429 3.194 20 10 DGCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001203551369 1090754801 /nfs/dbraw/zinc/75/48/01/1090754801.db2.gz DYTDZQSLCYSKJZ-OIISXLGYSA-N 0 3 317.429 3.194 20 10 DGCDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1[O-] ZINC001203561723 1090756869 /nfs/dbraw/zinc/75/68/69/1090756869.db2.gz YJHKDAJWZBXCOC-ZFWWWQNUSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccccc1[O-] ZINC001203561723 1090756873 /nfs/dbraw/zinc/75/68/73/1090756873.db2.gz YJHKDAJWZBXCOC-ZFWWWQNUSA-N 0 3 320.433 3.270 20 10 DGCDHN CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(OC)cc1[O-] ZINC001203629387 1090769452 /nfs/dbraw/zinc/76/94/52/1090769452.db2.gz ZQHVPMZWVAPIGV-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(OC)cc1[O-] ZINC001203629387 1090769456 /nfs/dbraw/zinc/76/94/56/1090769456.db2.gz ZQHVPMZWVAPIGV-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN COc1ccc(O)c(CN2CCOC[C@@H]2C2CCCCC2)c1 ZINC001203680841 1090778787 /nfs/dbraw/zinc/77/87/87/1090778787.db2.gz GZHAKXGZCIWQJP-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204274996 1090938067 /nfs/dbraw/zinc/93/80/67/1090938067.db2.gz KKRBMFZBRRZBHN-SFHVURJKSA-N 0 3 313.397 3.450 20 10 DGCDHN Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204274996 1090938072 /nfs/dbraw/zinc/93/80/72/1090938072.db2.gz KKRBMFZBRRZBHN-SFHVURJKSA-N 0 3 313.397 3.450 20 10 DGCDHN CCN(Cc1ccc(C)cc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204349567 1090953663 /nfs/dbraw/zinc/95/36/63/1090953663.db2.gz UVLUCDORFWKVCY-UHFFFAOYSA-N 0 3 301.386 3.437 20 10 DGCDHN CC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138219474 1091118552 /nfs/dbraw/zinc/11/85/52/1091118552.db2.gz BUCABUINCRJQPH-UHFFFAOYSA-N 0 3 300.446 3.478 20 10 DGCDHN Cc1c(CN2CCC3(C[C@@H]3CCO)CC2)c2ccccc2n1C ZINC001138253037 1091125957 /nfs/dbraw/zinc/12/59/57/1091125957.db2.gz ZRNLVWAGJILIGS-INIZCTEOSA-N 0 3 312.457 3.471 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(O)cc(O)c1 ZINC001138332896 1091143244 /nfs/dbraw/zinc/14/32/44/1091143244.db2.gz KWFWYZGSAVATPU-UHFFFAOYSA-N 0 3 300.402 3.186 20 10 DGCDHN Oc1cccc2c1CN(Cc1c3cc[nH]c3ncc1Cl)CC2 ZINC001138953388 1091390935 /nfs/dbraw/zinc/39/09/35/1091390935.db2.gz VIFQGBSMYBIWJD-UHFFFAOYSA-N 0 3 313.788 3.432 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC001139361780 1091535604 /nfs/dbraw/zinc/53/56/04/1091535604.db2.gz YDSKIVYYNNFWCW-UHFFFAOYSA-N 0 3 305.381 3.136 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC001139361780 1091535609 /nfs/dbraw/zinc/53/56/09/1091535609.db2.gz YDSKIVYYNNFWCW-UHFFFAOYSA-N 0 3 305.381 3.136 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1Cl ZINC001206456746 1091638522 /nfs/dbraw/zinc/63/85/22/1091638522.db2.gz PFCBBAQRGDYKKK-VXGBXAGGSA-N 0 3 314.832 3.214 20 10 DGCDHN C[C@@H](C[NH+](C)C)[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001206800502 1091746627 /nfs/dbraw/zinc/74/66/27/1091746627.db2.gz KTYMWBSRYNNLJV-BLLLJJGKSA-N 0 3 312.404 3.223 20 10 DGCDHN C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001206810560 1091749322 /nfs/dbraw/zinc/74/93/22/1091749322.db2.gz NYFFQMSYQRGLKF-ZJUUUORDSA-N 0 3 303.233 3.258 20 10 DGCDHN Fc1cc(N2CCOCC2)ccc1CN1CC2CCC1CC2 ZINC001140663423 1091950608 /nfs/dbraw/zinc/95/06/08/1091950608.db2.gz DJXMHCKGJJLEAM-UHFFFAOYSA-N 0 3 304.409 3.037 20 10 DGCDHN CCN(CC)c1ccc(CN2CCc3cnccc3C2)c(O)c1 ZINC001140850664 1092029661 /nfs/dbraw/zinc/02/96/61/1092029661.db2.gz PWRZYBPBQBMKPD-UHFFFAOYSA-N 0 3 311.429 3.192 20 10 DGCDHN C[C@H]1C[C@H]2CN(Cc3ccc(N(C)C)cc3Cl)CC[C@H]2O1 ZINC001140922375 1092062248 /nfs/dbraw/zinc/06/22/48/1092062248.db2.gz OVSHUCYFCLOJOC-RVSPLBMKSA-N 0 3 308.853 3.405 20 10 DGCDHN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925782 1092064561 /nfs/dbraw/zinc/06/45/61/1092064561.db2.gz VODYAGDUGFQLND-TZMCWYRMSA-N 0 3 324.852 3.037 20 10 DGCDHN COC(=O)[C@@H]1C[C@H](C)CN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925773 1092065869 /nfs/dbraw/zinc/06/58/69/1092065869.db2.gz VODYAGDUGFQLND-GXTWGEPZSA-N 0 3 324.852 3.037 20 10 DGCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140952392 1092078471 /nfs/dbraw/zinc/07/84/71/1092078471.db2.gz PXGJBJUISWOYLX-VQIMIIECSA-N 0 3 319.445 3.108 20 10 DGCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140952392 1092078479 /nfs/dbraw/zinc/07/84/79/1092078479.db2.gz PXGJBJUISWOYLX-VQIMIIECSA-N 0 3 319.445 3.108 20 10 DGCDHN CN(Cc1cccc(Br)c1)Cc1cc(O)ccc1O ZINC001141156116 1092156240 /nfs/dbraw/zinc/15/62/40/1092156240.db2.gz FWASAIMCNHIXGQ-UHFFFAOYSA-N 0 3 322.202 3.492 20 10 DGCDHN COc1ccc(N2CCN(CCc3cccs3)CC2)c(C)c1 ZINC001209229095 1092705766 /nfs/dbraw/zinc/70/57/66/1092705766.db2.gz VOLJJSGBTYMNCK-UHFFFAOYSA-N 0 3 316.470 3.430 20 10 DGCDHN Oc1cc2c(cc1O)CN(CCc1ccc(F)c(F)c1)CCC2 ZINC001209246053 1092712947 /nfs/dbraw/zinc/71/29/47/1092712947.db2.gz MQMSPCCGACINQV-UHFFFAOYSA-N 0 3 319.351 3.367 20 10 DGCDHN Cc1[nH]c2ncccc2c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001209592571 1092841082 /nfs/dbraw/zinc/84/10/82/1092841082.db2.gz HTMWMKUTXFHBTB-UHFFFAOYSA-N 0 3 323.396 3.231 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210355006 1093135273 /nfs/dbraw/zinc/13/52/73/1093135273.db2.gz GZZBGKGSUJAHDG-KRWDZBQOSA-N 0 3 316.832 3.062 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1cn2ccnc2s1 ZINC001336253390 1094604784 /nfs/dbraw/zinc/60/47/84/1094604784.db2.gz LLCBXKKLPCBDFY-UHFFFAOYSA-N 0 3 300.431 3.060 20 10 DGCDHN Cc1cc(CNC(=O)CN(C)C(C)C)c(C)n1-c1ccccc1 ZINC001170858850 1094720063 /nfs/dbraw/zinc/72/00/63/1094720063.db2.gz SIXPMDNNSVGUDJ-UHFFFAOYSA-N 0 3 313.445 3.051 20 10 DGCDHN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(C)C ZINC001626161043 1095390418 /nfs/dbraw/zinc/39/04/18/1095390418.db2.gz UZKKCDLDFGKXSJ-QGZVFWFLSA-N 0 3 318.461 3.394 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c([O-])c1 ZINC001117749721 1095832766 /nfs/dbraw/zinc/83/27/66/1095832766.db2.gz AEIGXYVSJGKAAH-RDJZCZTQSA-N 0 3 321.461 3.085 20 10 DGCDHN COc1ccc(N2CC3(C2)CCN(Cc2ccc[nH]2)C3)c(C)c1 ZINC001277018544 1096349024 /nfs/dbraw/zinc/34/90/24/1096349024.db2.gz MCULIECOKYDPPU-UHFFFAOYSA-N 0 3 311.429 3.044 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171504779 1096913885 /nfs/dbraw/zinc/91/38/85/1096913885.db2.gz BBTAFKVZWXYGLN-GFCCVEGCSA-N 0 3 307.315 3.457 20 10 DGCDHN Cc1cnccc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001174539715 1097748816 /nfs/dbraw/zinc/74/88/16/1097748816.db2.gz NKBRWZJQTVGLRD-UHFFFAOYSA-N 0 3 319.364 3.357 20 10 DGCDHN CCC[N@@H+](CC)Cc1c(Br)ccc(OC)c1[O-] ZINC001231547404 1097777806 /nfs/dbraw/zinc/77/78/06/1097777806.db2.gz FKGWRKJSEKVQPK-UHFFFAOYSA-N 0 3 302.212 3.395 20 10 DGCDHN CCCN(CC)Cc1c(Br)ccc(OC)c1O ZINC001231547404 1097777810 /nfs/dbraw/zinc/77/78/10/1097777810.db2.gz FKGWRKJSEKVQPK-UHFFFAOYSA-N 0 3 302.212 3.395 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C)c1[O-] ZINC001231548218 1097777232 /nfs/dbraw/zinc/77/72/32/1097777232.db2.gz PYYMBOCQIPNJTJ-SECBINFHSA-N 0 3 300.196 3.148 20 10 DGCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@H]2C)c1[O-] ZINC001231548218 1097777234 /nfs/dbraw/zinc/77/72/34/1097777234.db2.gz PYYMBOCQIPNJTJ-SECBINFHSA-N 0 3 300.196 3.148 20 10 DGCDHN CCC[N@H+](CC)Cc1c(Br)ccc(OC)c1[O-] ZINC001231547404 1097777804 /nfs/dbraw/zinc/77/78/04/1097777804.db2.gz FKGWRKJSEKVQPK-UHFFFAOYSA-N 0 3 302.212 3.395 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001231869975 1097870452 /nfs/dbraw/zinc/87/04/52/1097870452.db2.gz CTJMDICLYNUOBL-CQSZACIVSA-N 0 3 317.763 3.354 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001231869975 1097870461 /nfs/dbraw/zinc/87/04/61/1097870461.db2.gz CTJMDICLYNUOBL-CQSZACIVSA-N 0 3 317.763 3.354 20 10 DGCDHN COC(=O)c1c(CN2CCCC[C@@H]2C)c2ccccc2n1C ZINC001232401040 1098028679 /nfs/dbraw/zinc/02/86/79/1098028679.db2.gz DVPVZUOGQASQFN-ZDUSSCGKSA-N 0 3 300.402 3.339 20 10 DGCDHN COC(=O)c1c(CN2CC[C@](C)(CF)C2)c2ccccc2n1C ZINC001232403148 1098028911 /nfs/dbraw/zinc/02/89/11/1098028911.db2.gz VHIFSPKXQGQXEG-GOSISDBHSA-N 0 3 318.392 3.146 20 10 DGCDHN COC(=O)c1c(CN2CCC[C@@H](C)C2)c2ccccc2n1C ZINC001232400950 1098029051 /nfs/dbraw/zinc/02/90/51/1098029051.db2.gz BXQNBNLAXXZSMC-CYBMUJFWSA-N 0 3 300.402 3.197 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2CCC(F)(F)[C@H](CO)C2)c1 ZINC001233284486 1098275112 /nfs/dbraw/zinc/27/51/12/1098275112.db2.gz WTXJDZDTZQFRHD-AWEZNQCLSA-N 0 3 313.388 3.139 20 10 DGCDHN COc1ccc([C@H]2CCCN2Cc2cc(O)c(O)cc2O)cc1 ZINC001233485457 1098346370 /nfs/dbraw/zinc/34/63/70/1098346370.db2.gz WNRAHLQLKJDOPU-OAHLLOKOSA-N 0 3 315.369 3.149 20 10 DGCDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1-n1ccnc1 ZINC001234076376 1098491318 /nfs/dbraw/zinc/49/13/18/1098491318.db2.gz VOYREHKEPOSZGN-UHFFFAOYSA-N 0 3 323.396 3.219 20 10 DGCDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1-n1ccnc1 ZINC001234076376 1098491321 /nfs/dbraw/zinc/49/13/21/1098491321.db2.gz VOYREHKEPOSZGN-UHFFFAOYSA-N 0 3 323.396 3.219 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@@H]3C(C)C)c2c1 ZINC001234561867 1098599646 /nfs/dbraw/zinc/59/96/46/1098599646.db2.gz DQQVFXNUUHPXPH-GOSISDBHSA-N 0 3 315.413 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@@H]3C(C)C)c2c1 ZINC001234561867 1098599653 /nfs/dbraw/zinc/59/96/53/1098599653.db2.gz DQQVFXNUUHPXPH-GOSISDBHSA-N 0 3 315.413 3.411 20 10 DGCDHN CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999029 1098743435 /nfs/dbraw/zinc/74/34/35/1098743435.db2.gz QBZPIMYAEHUOMN-SFHVURJKSA-N 0 3 324.424 3.112 20 10 DGCDHN CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999029 1098743445 /nfs/dbraw/zinc/74/34/45/1098743445.db2.gz QBZPIMYAEHUOMN-SFHVURJKSA-N 0 3 324.424 3.112 20 10 DGCDHN [O-]c1cc(Cl)c(F)cc1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038901 1098765407 /nfs/dbraw/zinc/76/54/07/1098765407.db2.gz LAQXVGVSCHPFIR-INIZCTEOSA-N 0 3 312.816 3.293 20 10 DGCDHN CC[N@H+](CCn1cccn1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235677582 1099120493 /nfs/dbraw/zinc/12/04/93/1099120493.db2.gz FOPHMJUXIDEDHC-UHFFFAOYSA-N 0 3 301.434 3.408 20 10 DGCDHN CC[N@@H+](CCn1cccn1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235677582 1099120497 /nfs/dbraw/zinc/12/04/97/1099120497.db2.gz FOPHMJUXIDEDHC-UHFFFAOYSA-N 0 3 301.434 3.408 20 10 DGCDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679422 1099122438 /nfs/dbraw/zinc/12/24/38/1099122438.db2.gz ONGXJBUANXOLEA-DZGCQCFKSA-N 0 3 319.445 3.321 20 10 DGCDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679422 1099122440 /nfs/dbraw/zinc/12/24/40/1099122440.db2.gz ONGXJBUANXOLEA-DZGCQCFKSA-N 0 3 319.445 3.321 20 10 DGCDHN CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679251 1099122495 /nfs/dbraw/zinc/12/24/95/1099122495.db2.gz DRECJZYGRQJLNV-KRWDZBQOSA-N 0 3 318.461 3.132 20 10 DGCDHN CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679251 1099122500 /nfs/dbraw/zinc/12/25/00/1099122500.db2.gz DRECJZYGRQJLNV-KRWDZBQOSA-N 0 3 318.461 3.132 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235787936 1099178665 /nfs/dbraw/zinc/17/86/65/1099178665.db2.gz HIRWICWXWMTZGQ-INIZCTEOSA-N 0 3 302.805 3.192 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235787936 1099178667 /nfs/dbraw/zinc/17/86/67/1099178667.db2.gz HIRWICWXWMTZGQ-INIZCTEOSA-N 0 3 302.805 3.192 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235850081 1099211399 /nfs/dbraw/zinc/21/13/99/1099211399.db2.gz QRILLPZUBOGREX-OAHLLOKOSA-N 0 3 316.832 3.062 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCc3ccc(O)cc3CC2)c([O-])c1 ZINC001179989088 1099266157 /nfs/dbraw/zinc/26/61/57/1099266157.db2.gz KYKZMWVXFGOOPF-UHFFFAOYSA-N 0 3 313.397 3.016 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCc3ccc(O)cc3CC2)c([O-])c1 ZINC001179989088 1099266161 /nfs/dbraw/zinc/26/61/61/1099266161.db2.gz KYKZMWVXFGOOPF-UHFFFAOYSA-N 0 3 313.397 3.016 20 10 DGCDHN COc1cc(C)c(CN2CCN(c3cccs3)CC2)c(O)c1 ZINC001180052786 1099295582 /nfs/dbraw/zinc/29/55/82/1099295582.db2.gz VFARMHZGUCQUQD-UHFFFAOYSA-N 0 3 318.442 3.093 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236125671 1099412944 /nfs/dbraw/zinc/41/29/44/1099412944.db2.gz NDUOHHJKLNSQNJ-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1(C)CCNCC1 ZINC001236226144 1099484275 /nfs/dbraw/zinc/48/42/75/1099484275.db2.gz KIAMTXWXQPJURB-UHFFFAOYSA-N 0 3 303.233 3.273 20 10 DGCDHN C[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1(C)CCNCC1 ZINC001236226144 1099484281 /nfs/dbraw/zinc/48/42/81/1099484281.db2.gz KIAMTXWXQPJURB-UHFFFAOYSA-N 0 3 303.233 3.273 20 10 DGCDHN Cc1cccc(C)c1N1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204277728 1099490736 /nfs/dbraw/zinc/49/07/36/1099490736.db2.gz JJAYAQCPSDDMHE-UHFFFAOYSA-N 0 3 312.413 3.037 20 10 DGCDHN CCc1ccc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c([O-])c1 ZINC001236786302 1099783541 /nfs/dbraw/zinc/78/35/41/1099783541.db2.gz NSEFTQHOARYVGK-ROUUACIJSA-N 0 3 307.393 3.367 20 10 DGCDHN CCc1ccc(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c([O-])c1 ZINC001236786302 1099783551 /nfs/dbraw/zinc/78/35/51/1099783551.db2.gz NSEFTQHOARYVGK-ROUUACIJSA-N 0 3 307.393 3.367 20 10 DGCDHN CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236783867 1099784045 /nfs/dbraw/zinc/78/40/45/1099784045.db2.gz PFEKLHKARUUJHN-OAHLLOKOSA-N 0 3 305.418 3.120 20 10 DGCDHN CCOC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236783867 1099784050 /nfs/dbraw/zinc/78/40/50/1099784050.db2.gz PFEKLHKARUUJHN-OAHLLOKOSA-N 0 3 305.418 3.120 20 10 DGCDHN COc1cc(C)c(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c([O-])c1 ZINC001236809508 1099798933 /nfs/dbraw/zinc/79/89/33/1099798933.db2.gz WUWDFNNSMXKMTI-ROUUACIJSA-N 0 3 323.392 3.121 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c([O-])c1 ZINC001236809508 1099798941 /nfs/dbraw/zinc/79/89/41/1099798941.db2.gz WUWDFNNSMXKMTI-ROUUACIJSA-N 0 3 323.392 3.121 20 10 DGCDHN COc1cc(C)c(CN2CCc3cccc(OC)c3C2)c(O)c1 ZINC001236817707 1099805584 /nfs/dbraw/zinc/80/55/84/1099805584.db2.gz GOKLXDJRGNOWRN-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001236834749 1099819724 /nfs/dbraw/zinc/81/97/24/1099819724.db2.gz BXUXAZGZFVRJLI-KRWDZBQOSA-N 0 3 313.397 3.273 20 10 DGCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001236834749 1099819736 /nfs/dbraw/zinc/81/97/36/1099819736.db2.gz BXUXAZGZFVRJLI-KRWDZBQOSA-N 0 3 313.397 3.273 20 10 DGCDHN CN1C(=O)CCC12CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236835046 1099821384 /nfs/dbraw/zinc/82/13/84/1099821384.db2.gz GQYANSJWHFXKLR-UHFFFAOYSA-N 0 3 324.424 3.132 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c([O-])c1 ZINC001237040116 1099940006 /nfs/dbraw/zinc/94/00/06/1099940006.db2.gz DTJMFQBSIKZBFW-RPVQJOFSSA-N 0 3 305.418 3.038 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c([O-])c1 ZINC001237040116 1099940010 /nfs/dbraw/zinc/94/00/10/1099940010.db2.gz DTJMFQBSIKZBFW-RPVQJOFSSA-N 0 3 305.418 3.038 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC3(CCCOC3)CC2)c([O-])c1 ZINC001237047503 1099942135 /nfs/dbraw/zinc/94/21/35/1099942135.db2.gz ZGAJPPGMUDQQIA-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])[C@H]1C ZINC001237048418 1099945133 /nfs/dbraw/zinc/94/51/33/1099945133.db2.gz FWPFDBONMOTUCS-XJKSGUPXSA-N 0 3 305.418 3.289 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])[C@H]1C ZINC001237048418 1099945140 /nfs/dbraw/zinc/94/51/40/1099945140.db2.gz FWPFDBONMOTUCS-XJKSGUPXSA-N 0 3 305.418 3.289 20 10 DGCDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049484 1099945871 /nfs/dbraw/zinc/94/58/71/1099945871.db2.gz PSUGHJBIWQGBIE-XJKSGUPXSA-N 0 3 305.418 3.147 20 10 DGCDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049484 1099945877 /nfs/dbraw/zinc/94/58/77/1099945877.db2.gz PSUGHJBIWQGBIE-XJKSGUPXSA-N 0 3 305.418 3.147 20 10 DGCDHN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]12 ZINC001237143806 1099992791 /nfs/dbraw/zinc/99/27/91/1099992791.db2.gz OLOLQTGYJDPRRJ-ZWNOBZJWSA-N 0 3 313.319 3.212 20 10 DGCDHN O=C1CCC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]12 ZINC001237143806 1099992802 /nfs/dbraw/zinc/99/28/02/1099992802.db2.gz OLOLQTGYJDPRRJ-ZWNOBZJWSA-N 0 3 313.319 3.212 20 10 DGCDHN COC(=O)c1cc2cc(C[N@H+](C)Cc3ccccc3[O-])ccc2[nH]1 ZINC001237321689 1100076229 /nfs/dbraw/zinc/07/62/29/1100076229.db2.gz VAJZJWXPRVNRJE-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN COC(=O)c1cc2cc(C[N@@H+](C)Cc3ccccc3[O-])ccc2[nH]1 ZINC001237321689 1100076234 /nfs/dbraw/zinc/07/62/34/1100076234.db2.gz VAJZJWXPRVNRJE-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237485364 1100138969 /nfs/dbraw/zinc/13/89/69/1100138969.db2.gz HRYCTIWYYLSGOU-VQIMIIECSA-N 0 3 319.445 3.108 20 10 DGCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237485364 1100138973 /nfs/dbraw/zinc/13/89/73/1100138973.db2.gz HRYCTIWYYLSGOU-VQIMIIECSA-N 0 3 319.445 3.108 20 10 DGCDHN CC(=O)N1CCCCC12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC001237489888 1100141037 /nfs/dbraw/zinc/14/10/37/1100141037.db2.gz MSDIYNBSQULSBJ-UHFFFAOYSA-N 0 3 316.445 3.068 20 10 DGCDHN CCCc1noc([C@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237488371 1100141252 /nfs/dbraw/zinc/14/12/52/1100141252.db2.gz VIAADYRJLIXLSE-AWEZNQCLSA-N 0 3 315.417 3.416 20 10 DGCDHN CCCc1noc([C@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237488371 1100141257 /nfs/dbraw/zinc/14/12/57/1100141257.db2.gz VIAADYRJLIXLSE-AWEZNQCLSA-N 0 3 315.417 3.416 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC001237494446 1100145702 /nfs/dbraw/zinc/14/57/02/1100145702.db2.gz IVUCOADPOABYAA-GJZGRUSLSA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC001237494446 1100145707 /nfs/dbraw/zinc/14/57/07/1100145707.db2.gz IVUCOADPOABYAA-GJZGRUSLSA-N 0 3 305.418 3.112 20 10 DGCDHN Cc1ncc(CN(C)Cc2ccccc2O)cc1Br ZINC001237550883 1100169897 /nfs/dbraw/zinc/16/98/97/1100169897.db2.gz DHEGJWCIGPZATD-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH+]1CC2(C1)CCOC2 ZINC001237641019 1100199640 /nfs/dbraw/zinc/19/96/40/1100199640.db2.gz KGXJDDPDXOHHOE-UHFFFAOYSA-N 0 3 313.372 3.421 20 10 DGCDHN CN1CC[C@H]([N@H+](C)Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237646262 1100201601 /nfs/dbraw/zinc/20/16/01/1100201601.db2.gz MKMBYBIDSAMTRE-SFHVURJKSA-N 0 3 314.404 3.334 20 10 DGCDHN CN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237646262 1100201604 /nfs/dbraw/zinc/20/16/04/1100201604.db2.gz MKMBYBIDSAMTRE-SFHVURJKSA-N 0 3 314.404 3.334 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Br ZINC001237678060 1100213008 /nfs/dbraw/zinc/21/30/08/1100213008.db2.gz IMMRPDGFQGQBPK-XHVZSJERSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Br ZINC001237678060 1100213011 /nfs/dbraw/zinc/21/30/11/1100213011.db2.gz IMMRPDGFQGQBPK-XHVZSJERSA-N 0 3 314.198 3.395 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])[C@H]1C ZINC001237687147 1100213767 /nfs/dbraw/zinc/21/37/67/1100213767.db2.gz RMYPSTUCOQRNHI-FZMZJTMJSA-N 0 3 311.809 3.128 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])[C@H]1C ZINC001237687147 1100213774 /nfs/dbraw/zinc/21/37/74/1100213774.db2.gz RMYPSTUCOQRNHI-FZMZJTMJSA-N 0 3 311.809 3.128 20 10 DGCDHN CCOC(=O)CCC1CC[NH+](Cc2cc(F)cc(C)c2[O-])CC1 ZINC001238062798 1100346006 /nfs/dbraw/zinc/34/60/06/1100346006.db2.gz RPQKGCZIIUNTSJ-UHFFFAOYSA-N 0 3 323.408 3.395 20 10 DGCDHN COc1ccc(N2CCN(C[C@@H](CC(C)C)OC)CC2)cc1F ZINC001192108533 1100573458 /nfs/dbraw/zinc/57/34/58/1100573458.db2.gz WVRGZOBLNVCRGK-MRXNPFEDSA-N 0 3 324.440 3.017 20 10 DGCDHN CN1CCC=C(c2ncnc3c2ccn3Cc2ccc(F)cc2)C1 ZINC001241565287 1101550652 /nfs/dbraw/zinc/55/06/52/1101550652.db2.gz JDGYVXCOGFPIEJ-UHFFFAOYSA-N 0 3 322.387 3.338 20 10 DGCDHN CCOc1ccc(N2CCN(CC3CC(F)(F)C3)CC2)cc1 ZINC001326502717 1103344065 /nfs/dbraw/zinc/34/40/65/1103344065.db2.gz PGWIASLGHAYVNB-UHFFFAOYSA-N 0 3 310.388 3.253 20 10 DGCDHN C[C@@H](O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001327263999 1103606681 /nfs/dbraw/zinc/60/66/81/1103606681.db2.gz NRICZDYLHXESRX-OXQOHEQNSA-N 0 3 310.441 3.499 20 10 DGCDHN COc1ccc2c(c1)CCN(Cc1cc(C)cc(OC)c1O)C2 ZINC001327679448 1103705602 /nfs/dbraw/zinc/70/56/02/1103705602.db2.gz QHIWRGYCTYAUFJ-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN O[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001329937642 1104430591 /nfs/dbraw/zinc/43/05/91/1104430591.db2.gz ANAWNHHENSVCBN-PMACEKPBSA-N 0 3 308.425 3.035 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)c([O-])c1 ZINC001330601648 1104590282 /nfs/dbraw/zinc/59/02/82/1104590282.db2.gz JLQURVQESIVHRO-SFHVURJKSA-N 0 3 324.424 3.095 20 10 DGCDHN [O-]c1ccc(F)cc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001275912834 1104952806 /nfs/dbraw/zinc/95/28/06/1104952806.db2.gz FKJJGFPSAYGZMN-IRXDYDNUSA-N 0 3 304.409 3.123 20 10 DGCDHN [O-]c1ccc(F)cc1CN1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001275912834 1104952812 /nfs/dbraw/zinc/95/28/12/1104952812.db2.gz FKJJGFPSAYGZMN-IRXDYDNUSA-N 0 3 304.409 3.123 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+](C)Cc2ccccc2C)c([O-])c1 ZINC001249192814 1105243813 /nfs/dbraw/zinc/24/38/13/1105243813.db2.gz DPDJLAZUGYNHGJ-UHFFFAOYSA-N 0 3 313.397 3.048 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+](C)Cc2ccccc2C)c([O-])c1 ZINC001249192814 1105243815 /nfs/dbraw/zinc/24/38/15/1105243815.db2.gz DPDJLAZUGYNHGJ-UHFFFAOYSA-N 0 3 313.397 3.048 20 10 DGCDHN C[C@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@@]1(C)O ZINC001249223855 1105249505 /nfs/dbraw/zinc/24/95/05/1105249505.db2.gz OYYSHJRPUCVHAM-ORAYPTAESA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@@]1(C)O ZINC001249223855 1105249508 /nfs/dbraw/zinc/24/95/08/1105249508.db2.gz OYYSHJRPUCVHAM-ORAYPTAESA-N 0 3 317.429 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H]4CCO[C@H]4C3)ccc2O1 ZINC001249230383 1105251664 /nfs/dbraw/zinc/25/16/64/1105251664.db2.gz FNGIOUZUKXIXRI-DYVFJYSZSA-N 0 3 315.413 3.187 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H]4CCO[C@H]4C3)ccc2O1 ZINC001249230383 1105251667 /nfs/dbraw/zinc/25/16/67/1105251667.db2.gz FNGIOUZUKXIXRI-DYVFJYSZSA-N 0 3 315.413 3.187 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@@]34CCOC4)ccc2O1 ZINC001249251891 1105256616 /nfs/dbraw/zinc/25/66/16/1105256616.db2.gz BDWWSCQSLPTQMB-IBGZPJMESA-N 0 3 315.413 3.331 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@@]34CCOC4)ccc2O1 ZINC001249251891 1105256618 /nfs/dbraw/zinc/25/66/18/1105256618.db2.gz BDWWSCQSLPTQMB-IBGZPJMESA-N 0 3 315.413 3.331 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H]4OCC[C@H]4C3)ccc2O1 ZINC001249252005 1105256643 /nfs/dbraw/zinc/25/66/43/1105256643.db2.gz DXLIHRADUUAUKC-BBRMVZONSA-N 0 3 315.413 3.187 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H]4OCC[C@H]4C3)ccc2O1 ZINC001249252005 1105256646 /nfs/dbraw/zinc/25/66/46/1105256646.db2.gz DXLIHRADUUAUKC-BBRMVZONSA-N 0 3 315.413 3.187 20 10 DGCDHN Cc1cc(F)ccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249339453 1105270440 /nfs/dbraw/zinc/27/04/40/1105270440.db2.gz KTFKGWMVNITHMR-CQSZACIVSA-N 0 3 313.332 3.132 20 10 DGCDHN CCc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1 ZINC001249339078 1105270738 /nfs/dbraw/zinc/27/07/38/1105270738.db2.gz HSZWVLXZVVZPRV-OAHLLOKOSA-N 0 3 309.369 3.247 20 10 DGCDHN Cc1cc(C[N@@H+](C)[C@@H]2CCCOC2)c([O-])cc1Br ZINC001250136571 1105451037 /nfs/dbraw/zinc/45/10/37/1105451037.db2.gz UYPVCSZOJFSVBC-GFCCVEGCSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc(C[N@H+](C)[C@@H]2CCCOC2)c([O-])cc1Br ZINC001250136571 1105451039 /nfs/dbraw/zinc/45/10/39/1105451039.db2.gz UYPVCSZOJFSVBC-GFCCVEGCSA-N 0 3 314.223 3.074 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c([O-])c1 ZINC001254184013 1106030256 /nfs/dbraw/zinc/03/02/56/1106030256.db2.gz IHPBKCHLLFKLBO-GFCCVEGCSA-N 0 3 309.406 3.001 20 10 DGCDHN COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(O)c2[O-])cc1 ZINC001258392714 1106727787 /nfs/dbraw/zinc/72/77/87/1106727787.db2.gz DZJBGRXBEQAQHW-CYBMUJFWSA-N 0 3 301.386 3.217 20 10 DGCDHN CC(C)c1noc(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC001320253434 1106938244 /nfs/dbraw/zinc/93/82/44/1106938244.db2.gz WAJYLXOYYAKOMV-JQWIXIFHSA-N 0 3 319.380 3.418 20 10 DGCDHN c1nn2ccccc2c1CNCc1ccc(N2CCCC2)cc1 ZINC001261177228 1107356768 /nfs/dbraw/zinc/35/67/68/1107356768.db2.gz ONLUGLWPRWUBCR-UHFFFAOYSA-N 0 3 306.413 3.224 20 10 DGCDHN Cn1cc([C@H](N[C@H]2CCc3cccc(O)c32)c2ccccc2)cn1 ZINC001324601141 1108368389 /nfs/dbraw/zinc/36/83/89/1108368389.db2.gz HNFRJEYMBKUWKY-FXAWDEMLSA-N 0 3 319.408 3.492 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1F)c1ccccc1[O-] ZINC001308010535 1111365671 /nfs/dbraw/zinc/36/56/71/1111365671.db2.gz QVWBZTPJYPNPIB-MNOVXSKESA-N 0 3 320.339 3.348 20 10 DGCDHN CCOc1cccc(CNCCCSc2nccs2)n1 ZINC001308282624 1111409788 /nfs/dbraw/zinc/40/97/88/1111409788.db2.gz UKEKMVGLPJPSAR-UHFFFAOYSA-N 0 3 309.460 3.209 20 10 DGCDHN COc1cccc(CNCc2cc3cc(Cl)cnc3o2)c1O ZINC001308742886 1111469153 /nfs/dbraw/zinc/46/91/53/1111469153.db2.gz OVVWHJBTLROWGH-UHFFFAOYSA-N 0 3 318.760 3.485 20 10 DGCDHN COC(=O)c1[nH]c2ccccc2c1CNCc1cc(C)ccc1O ZINC001308868360 1111486368 /nfs/dbraw/zinc/48/63/68/1111486368.db2.gz GPQNCNOGMAOPQO-UHFFFAOYSA-N 0 3 324.380 3.258 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c([O-])c1 ZINC001308952825 1111499442 /nfs/dbraw/zinc/49/94/42/1111499442.db2.gz TWJWKOIGBIWJDG-MRXNPFEDSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c([O-])c1 ZINC001308952825 1111499443 /nfs/dbraw/zinc/49/94/43/1111499443.db2.gz TWJWKOIGBIWJDG-MRXNPFEDSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000179433415 432058743 /nfs/dbraw/zinc/05/87/43/432058743.db2.gz IXEIWZVULBBZQG-LLVKDONJSA-N 0 3 319.323 3.184 20 10 DGCDHN COc1cccc(CN(C)CCOCc2ccccc2)c1O ZINC000091937067 193128479 /nfs/dbraw/zinc/12/84/79/193128479.db2.gz OJUCOJUGUYIVBE-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000091958678 193133045 /nfs/dbraw/zinc/13/30/45/193133045.db2.gz QQEDAJIBORUFLU-CABCVRRESA-N 0 3 317.385 3.082 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000091958678 193133048 /nfs/dbraw/zinc/13/30/48/193133048.db2.gz QQEDAJIBORUFLU-CABCVRRESA-N 0 3 317.385 3.082 20 10 DGCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OC)c2[O-])C12CCC2 ZINC000092040982 193146752 /nfs/dbraw/zinc/14/67/52/193146752.db2.gz UEIISLANRJOOAC-HZPDHXFCSA-N 0 3 305.418 3.180 20 10 DGCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2[O-])C12CCC2 ZINC000092040982 193146754 /nfs/dbraw/zinc/14/67/54/193146754.db2.gz UEIISLANRJOOAC-HZPDHXFCSA-N 0 3 305.418 3.180 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc([S@@](C)=O)cc1 ZINC000296687926 299395659 /nfs/dbraw/zinc/39/56/59/299395659.db2.gz HABPPUIKYWXPSW-ONJZCGHCSA-N 0 3 315.438 3.468 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC(OCCOC)CC2)cc1 ZINC000093339708 193234289 /nfs/dbraw/zinc/23/42/89/193234289.db2.gz CHONOBZOYMNVGU-UHFFFAOYSA-N 0 3 320.477 3.160 20 10 DGCDHN CCOCc1cc(CN[C@H]2CCCc3cn[nH]c32)ccc1OC ZINC000268878668 432146521 /nfs/dbraw/zinc/14/65/21/432146521.db2.gz XEGSVAISUDZUFL-INIZCTEOSA-N 0 3 315.417 3.122 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCSC1)C[C@H]1CCCO1 ZINC000278392288 285397578 /nfs/dbraw/zinc/39/75/78/285397578.db2.gz AIXXADAQSIIVRB-GDBMZVCRSA-N 0 3 307.459 3.126 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCSC1)C[C@H]1CCCO1 ZINC000278392288 285397579 /nfs/dbraw/zinc/39/75/79/285397579.db2.gz AIXXADAQSIIVRB-GDBMZVCRSA-N 0 3 307.459 3.126 20 10 DGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1 ZINC000192367556 533446780 /nfs/dbraw/zinc/44/67/80/533446780.db2.gz VJVMUGHMHAUMQL-OAHLLOKOSA-N 0 3 312.413 3.080 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(F)ccc1[O-] ZINC000273418549 130118479 /nfs/dbraw/zinc/11/84/79/130118479.db2.gz IYWMACVZZCKONG-BBRMVZONSA-N 0 3 303.377 3.176 20 10 DGCDHN C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1[O-] ZINC000273449208 130123814 /nfs/dbraw/zinc/12/38/14/130123814.db2.gz FPOYUTGLGAZJPB-NSHDSACASA-N 0 3 304.321 3.333 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000273533270 130133858 /nfs/dbraw/zinc/13/38/58/130133858.db2.gz WUXVQHMWWYFPGO-PSVSLLHZSA-N 0 3 307.340 3.443 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1 ZINC000273532167 130134276 /nfs/dbraw/zinc/13/42/76/130134276.db2.gz WRCNNJVJHYBCMN-ZIAGYGMSSA-N 0 3 307.434 3.240 20 10 DGCDHN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000273560501 130137499 /nfs/dbraw/zinc/13/74/99/130137499.db2.gz IARBIMPISYMTLC-QWRGUYRKSA-N 0 3 315.255 3.146 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c([O-])c1 ZINC000273623211 130146292 /nfs/dbraw/zinc/14/62/92/130146292.db2.gz ZTFPZLUJNZDSAA-CQSZACIVSA-N 0 3 304.434 3.142 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c([O-])c1 ZINC000273624137 130147023 /nfs/dbraw/zinc/14/70/23/130147023.db2.gz ZXMYCHGFQSLCKK-CQSZACIVSA-N 0 3 324.424 3.444 20 10 DGCDHN COc1ccc(O)c(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000284267091 131064820 /nfs/dbraw/zinc/06/48/20/131064820.db2.gz GRTAHIVDFASVKA-UONOGXRCSA-N 0 3 316.228 3.417 20 10 DGCDHN CCOc1cccc(C[NH+]2CCC3(CCOCC3)CC2)c1[O-] ZINC000285302151 131156210 /nfs/dbraw/zinc/15/62/10/131156210.db2.gz VZJNZTRAJVPUFE-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN Cc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1[O-] ZINC000289456719 131387891 /nfs/dbraw/zinc/38/78/91/131387891.db2.gz NWNQKUOESNTGGI-ZDUSSCGKSA-N 0 3 310.397 3.436 20 10 DGCDHN COc1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c1O ZINC000289470507 131389306 /nfs/dbraw/zinc/38/93/06/131389306.db2.gz PMBACMMJKAMXIK-UHFFFAOYSA-N 0 3 323.776 3.058 20 10 DGCDHN NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093808715 400255673 /nfs/dbraw/zinc/25/56/73/400255673.db2.gz FVUCQXYUUYUYKE-HNNXBMFYSA-N 0 3 324.424 3.147 20 10 DGCDHN NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093808715 400255675 /nfs/dbraw/zinc/25/56/75/400255675.db2.gz FVUCQXYUUYUYKE-HNNXBMFYSA-N 0 3 324.424 3.147 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000089726419 401236785 /nfs/dbraw/zinc/23/67/85/401236785.db2.gz AHSXVOSUHKXRFW-UHFFFAOYSA-N 0 3 312.413 3.159 20 10 DGCDHN COc1ccc2c(c1)[C@@H](NCc1cccc(OC)c1O)CCO2 ZINC000274228063 228699405 /nfs/dbraw/zinc/69/94/05/228699405.db2.gz DDYTXKHIIRRFTC-HNNXBMFYSA-N 0 3 315.369 3.023 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186439022 274114558 /nfs/dbraw/zinc/11/45/58/274114558.db2.gz SXEIFDIATZDVOM-LJQANCHMSA-N 0 3 311.381 3.032 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186439022 274114561 /nfs/dbraw/zinc/11/45/61/274114561.db2.gz SXEIFDIATZDVOM-LJQANCHMSA-N 0 3 311.381 3.032 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC000297576374 275061604 /nfs/dbraw/zinc/06/16/04/275061604.db2.gz GYGOXMXFGLSOEF-KRWDZBQOSA-N 0 3 300.446 3.376 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccccc1[O-] ZINC000274910469 288050864 /nfs/dbraw/zinc/05/08/64/288050864.db2.gz MYOVOCUHIHXTKC-SFHVURJKSA-N 0 3 322.412 3.273 20 10 DGCDHN COCCCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000112641134 431291676 /nfs/dbraw/zinc/29/16/76/431291676.db2.gz NLIXLXYNYRCAOB-QGZVFWFLSA-N 0 3 307.434 3.190 20 10 DGCDHN COCCCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000112641134 431291678 /nfs/dbraw/zinc/29/16/78/431291678.db2.gz NLIXLXYNYRCAOB-QGZVFWFLSA-N 0 3 307.434 3.190 20 10 DGCDHN CC(C)CCOCCN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119515175 431701033 /nfs/dbraw/zinc/70/10/33/431701033.db2.gz WXHDSOVQPJBNKY-QGZVFWFLSA-N 0 3 320.477 3.237 20 10 DGCDHN CCN1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000037644073 431848388 /nfs/dbraw/zinc/84/83/88/431848388.db2.gz XJYGRUUNUPDMPC-SNVBAGLBSA-N 0 3 303.233 3.130 20 10 DGCDHN CC[N@@H+]1CC[C@H](CNCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000037644073 431848389 /nfs/dbraw/zinc/84/83/89/431848389.db2.gz XJYGRUUNUPDMPC-SNVBAGLBSA-N 0 3 303.233 3.130 20 10 DGCDHN CC[N@H+]1CC[C@H](CNCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000037644073 431848390 /nfs/dbraw/zinc/84/83/90/431848390.db2.gz XJYGRUUNUPDMPC-SNVBAGLBSA-N 0 3 303.233 3.130 20 10 DGCDHN COc1ccc(N2CCCN(Cc3cccc(O)c3)CC2)cc1 ZINC000092380804 431908529 /nfs/dbraw/zinc/90/85/29/431908529.db2.gz MRDBMJKGRUFKBK-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183253838 432273512 /nfs/dbraw/zinc/27/35/12/432273512.db2.gz IQWPHGNFWVDPHS-LBPRGKRZSA-N 0 3 306.431 3.483 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183253838 432273516 /nfs/dbraw/zinc/27/35/16/432273516.db2.gz IQWPHGNFWVDPHS-LBPRGKRZSA-N 0 3 306.431 3.483 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000183316686 432281423 /nfs/dbraw/zinc/28/14/23/432281423.db2.gz NZTQYPITDRMZCS-WMLDXEAASA-N 0 3 312.413 3.138 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000191673420 432290803 /nfs/dbraw/zinc/29/08/03/432290803.db2.gz CYOFPODEGDVSQD-UHFFFAOYSA-N 0 3 320.339 3.109 20 10 DGCDHN CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183431993 432293401 /nfs/dbraw/zinc/29/34/01/432293401.db2.gz LXINAKUJMCFDGN-AWEZNQCLSA-N 0 3 318.461 3.470 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1[O-] ZINC000183432552 432293549 /nfs/dbraw/zinc/29/35/49/432293549.db2.gz DDXLYPKNEYERAD-GUYCJALGSA-N 0 3 302.393 3.485 20 10 DGCDHN C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000183515742 432300916 /nfs/dbraw/zinc/30/09/16/432300916.db2.gz CAGKSOVQFGEVSO-UKRRQHHQSA-N 0 3 310.397 3.128 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c([O-])c1 ZINC000271210118 432354087 /nfs/dbraw/zinc/35/40/87/432354087.db2.gz UEOLBHNXZRYZMN-QFBILLFUSA-N 0 3 319.445 3.308 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c([O-])c1 ZINC000271210118 432354092 /nfs/dbraw/zinc/35/40/92/432354092.db2.gz UEOLBHNXZRYZMN-QFBILLFUSA-N 0 3 319.445 3.308 20 10 DGCDHN CCC[N@H+](Cc1cccc(OC)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271214398 432354734 /nfs/dbraw/zinc/35/47/34/432354734.db2.gz WGKBRNBHSLDTCJ-ZTFGCOKTSA-N 0 3 319.445 3.426 20 10 DGCDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271214398 432354739 /nfs/dbraw/zinc/35/47/39/432354739.db2.gz WGKBRNBHSLDTCJ-ZTFGCOKTSA-N 0 3 319.445 3.426 20 10 DGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3C)c2)CC1 ZINC000184276743 432374481 /nfs/dbraw/zinc/37/44/81/432374481.db2.gz SGUJRQZEWMPAQT-UHFFFAOYSA-N 0 3 323.440 3.389 20 10 DGCDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000184305469 432378012 /nfs/dbraw/zinc/37/80/12/432378012.db2.gz XEGFMPQYYNKISI-VVBPWWLESA-N 0 3 322.518 3.485 20 10 DGCDHN C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271411564 432390530 /nfs/dbraw/zinc/39/05/30/432390530.db2.gz AFWCSECCLURPDX-ACJLOTCBSA-N 0 3 302.393 3.276 20 10 DGCDHN CCCCCC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000271248042 432360642 /nfs/dbraw/zinc/36/06/42/432360642.db2.gz CZUHTKVYQXAXLV-UHFFFAOYSA-N 0 3 304.434 3.053 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1[O-] ZINC000192916081 432428301 /nfs/dbraw/zinc/42/83/01/432428301.db2.gz TUFZVDSMJOJPJR-ZBFHGGJFSA-N 0 3 300.402 3.473 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c1 ZINC000192952696 432434426 /nfs/dbraw/zinc/43/44/26/432434426.db2.gz LBPHKOZSQDCEKT-WMLDXEAASA-N 0 3 306.450 3.172 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CC(C)(C)OC)c1[O-] ZINC000184709369 432423620 /nfs/dbraw/zinc/42/36/20/432423620.db2.gz LIPQOANDHXDPEE-SNVBAGLBSA-N 0 3 301.814 3.347 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1OC ZINC000271840656 432426711 /nfs/dbraw/zinc/42/67/11/432426711.db2.gz QPAOJLMUSFHOPL-DYVFJYSZSA-N 0 3 323.433 3.093 20 10 DGCDHN Cc1cc(C(=O)NCC2=CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000271862985 432426777 /nfs/dbraw/zinc/42/67/77/432426777.db2.gz KKJZTBNTBJVUIA-UHFFFAOYSA-N 0 3 323.440 3.086 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)c1 ZINC000271850138 432427092 /nfs/dbraw/zinc/42/70/92/432427092.db2.gz SWSOWQVVIZJRFY-SGTLLEGYSA-N 0 3 319.376 3.406 20 10 DGCDHN C[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC(C)(C)C ZINC000185217994 432479588 /nfs/dbraw/zinc/47/95/88/432479588.db2.gz DJHKBUPALAPOAE-QWHCGFSZSA-N 0 3 318.461 3.225 20 10 DGCDHN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000185217977 432479832 /nfs/dbraw/zinc/47/98/32/432479832.db2.gz DJHKBUPALAPOAE-OLZOCXBDSA-N 0 3 318.461 3.225 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCCNc2ccccn2)c1 ZINC000185325506 432490813 /nfs/dbraw/zinc/49/08/13/432490813.db2.gz LTVJHIRORBUFGF-CQSZACIVSA-N 0 3 315.417 3.339 20 10 DGCDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(C)cc1O ZINC000185350759 432494329 /nfs/dbraw/zinc/49/43/29/432494329.db2.gz DDUVKJMWFZIBQT-LBPRGKRZSA-N 0 3 316.357 3.468 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464139 432501940 /nfs/dbraw/zinc/50/19/40/432501940.db2.gz BWUFORWYRUTNCC-HOCLYGCPSA-N 0 3 324.424 3.436 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000185468469 432503327 /nfs/dbraw/zinc/50/33/27/432503327.db2.gz RFLODBQJAXSQFW-IUUKEHGRSA-N 0 3 319.376 3.313 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)c1 ZINC000185119769 432469028 /nfs/dbraw/zinc/46/90/28/432469028.db2.gz XBLSJDNAVXCFLR-OLZOCXBDSA-N 0 3 301.386 3.305 20 10 DGCDHN COC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000186034633 432555062 /nfs/dbraw/zinc/55/50/62/432555062.db2.gz OKPUNASCMZQKHG-CXAGYDPISA-N 0 3 301.386 3.439 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c1[O-] ZINC000185677601 432523542 /nfs/dbraw/zinc/52/35/42/432523542.db2.gz IWDBPAWAICCXCR-KBXCAEBGSA-N 0 3 314.429 3.182 20 10 DGCDHN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185736369 432529325 /nfs/dbraw/zinc/52/93/25/432529325.db2.gz FKMUANFBUDVJFI-GRDNDAEWSA-N 0 3 303.446 3.473 20 10 DGCDHN CN(Cc1ccc(N(C)C)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000155182542 432541930 /nfs/dbraw/zinc/54/19/30/432541930.db2.gz AXLJLILGQVLRCR-UHFFFAOYSA-N 0 3 324.472 3.380 20 10 DGCDHN CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000195198064 432610841 /nfs/dbraw/zinc/61/08/41/432610841.db2.gz KSPMADURAZGFIH-SFHVURJKSA-N 0 3 323.433 3.191 20 10 DGCDHN CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000195198064 432610845 /nfs/dbraw/zinc/61/08/45/432610845.db2.gz KSPMADURAZGFIH-SFHVURJKSA-N 0 3 323.433 3.191 20 10 DGCDHN CCCC[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273607445 432616962 /nfs/dbraw/zinc/61/69/62/432616962.db2.gz URIMHRBFSPLHKX-CYBMUJFWSA-N 0 3 321.421 3.216 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN(C)C)c1[O-] ZINC000186913389 432636135 /nfs/dbraw/zinc/63/61/35/432636135.db2.gz ZRSDTFJRLLLZSD-LLVKDONJSA-N 0 3 315.255 3.065 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cnn(C)c2)c1[O-] ZINC000187048958 432642840 /nfs/dbraw/zinc/64/28/40/432642840.db2.gz CRYYYLWBQBSHLG-JTQLQIEISA-N 0 3 324.222 3.047 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000273621462 432618604 /nfs/dbraw/zinc/61/86/04/432618604.db2.gz ZDWWRKJKRFTZKZ-IAQYHMDHSA-N 0 3 314.385 3.230 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1OC ZINC000187679503 432677097 /nfs/dbraw/zinc/67/70/97/432677097.db2.gz XEKDZUYPUSPJIM-GDBMZVCRSA-N 0 3 323.433 3.093 20 10 DGCDHN Cc1cccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1[O-] ZINC000224867775 432684618 /nfs/dbraw/zinc/68/46/18/432684618.db2.gz NTLBPRHERMDDCV-HNNXBMFYSA-N 0 3 320.433 3.094 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCC[S@@](=O)C(C)(C)C)cc1 ZINC000178409797 432732650 /nfs/dbraw/zinc/73/26/50/432732650.db2.gz ROCGMNXBLFMWRL-LHSJRXKWSA-N 0 3 310.507 3.341 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000276979725 432827576 /nfs/dbraw/zinc/82/75/76/432827576.db2.gz VQEPXGAVOQTMHA-YOEHRIQHSA-N 0 3 316.445 3.367 20 10 DGCDHN C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000268408183 432869197 /nfs/dbraw/zinc/86/91/97/432869197.db2.gz GMIGBLMRJGAGBC-FPTDNZKUSA-N 0 3 317.454 3.306 20 10 DGCDHN O=C1CCCN1c1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000296200198 432882460 /nfs/dbraw/zinc/88/24/60/432882460.db2.gz YYJUWCNQDDOLKG-QGZVFWFLSA-N 0 3 322.408 3.296 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)CC2 ZINC000296247262 432888969 /nfs/dbraw/zinc/88/89/69/432888969.db2.gz BCEYGGXIDIWEES-GDBMZVCRSA-N 0 3 321.779 3.495 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c1[O-] ZINC000288509170 432894308 /nfs/dbraw/zinc/89/43/08/432894308.db2.gz IPVIUEBUXHDAHR-OAHLLOKOSA-N 0 3 314.429 3.011 20 10 DGCDHN CC(C)(C)OC(=O)NCCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296579735 432923228 /nfs/dbraw/zinc/92/32/28/432923228.db2.gz VWNQJHMFTRCAED-CQSZACIVSA-N 0 3 320.433 3.274 20 10 DGCDHN C[C@@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000296877231 432934962 /nfs/dbraw/zinc/93/49/62/432934962.db2.gz OBRHNVPBDITBLP-MAUKXSAKSA-N 0 3 301.361 3.016 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)CC2 ZINC000296883270 432935180 /nfs/dbraw/zinc/93/51/80/432935180.db2.gz OFXLXUWDLKAWPN-ZBFHGGJFSA-N 0 3 321.779 3.495 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296355079 432899766 /nfs/dbraw/zinc/89/97/66/432899766.db2.gz IKVLGHKHPZECKN-LSDHHAIUSA-N 0 3 318.461 3.375 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296355079 432899767 /nfs/dbraw/zinc/89/97/67/432899767.db2.gz IKVLGHKHPZECKN-LSDHHAIUSA-N 0 3 318.461 3.375 20 10 DGCDHN C[C@@]1(CNCc2ccc3c(c2)CCO3)OCCc2sccc21 ZINC000289781554 432974266 /nfs/dbraw/zinc/97/42/66/432974266.db2.gz KLTWPWZAXARQKM-SFHVURJKSA-N 0 3 315.438 3.261 20 10 DGCDHN O=C1CCC(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000290069098 432988184 /nfs/dbraw/zinc/98/81/84/432988184.db2.gz PXGJSSHRRJRLPY-SFHVURJKSA-N 0 3 317.429 3.133 20 10 DGCDHN O=C1CCC(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000290069098 432988186 /nfs/dbraw/zinc/98/81/86/432988186.db2.gz PXGJSSHRRJRLPY-SFHVURJKSA-N 0 3 317.429 3.133 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCCc3ccc(F)cc31)OCO2 ZINC000279636807 432989288 /nfs/dbraw/zinc/98/92/88/432989288.db2.gz CMINTEVWYLXHBO-HNNXBMFYSA-N 0 3 315.344 3.427 20 10 DGCDHN CC[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000280028728 433000575 /nfs/dbraw/zinc/00/05/75/433000575.db2.gz HYFPYDXDIDBHFQ-WBVHZDCISA-N 0 3 307.434 3.327 20 10 DGCDHN CC[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000280028725 433000595 /nfs/dbraw/zinc/00/05/95/433000595.db2.gz HYFPYDXDIDBHFQ-RDJZCZTQSA-N 0 3 307.434 3.327 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1[O-] ZINC000280075808 433000998 /nfs/dbraw/zinc/00/09/98/433000998.db2.gz LKXARXHEJIOJJL-DOTOQJQBSA-N 0 3 311.429 3.415 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280048447 433001365 /nfs/dbraw/zinc/00/13/65/433001365.db2.gz JKUUSQJABUWPSY-MJGOQNOKSA-N 0 3 315.413 3.484 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(C)cc1[O-] ZINC000280062207 433001625 /nfs/dbraw/zinc/00/16/25/433001625.db2.gz KMAJECFWZULCLQ-INMHGKMJSA-N 0 3 318.461 3.388 20 10 DGCDHN CN(C)C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000290201604 433012229 /nfs/dbraw/zinc/01/22/29/433012229.db2.gz USKDMYNQYPTTEN-LJQANCHMSA-N 0 3 315.436 3.284 20 10 DGCDHN CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000280233418 433020993 /nfs/dbraw/zinc/02/09/93/433020993.db2.gz VKSXAKOCNDAMPZ-WMZOPIPTSA-N 0 3 320.477 3.242 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H](O)c1ccc(F)cc1 ZINC000297909326 433031087 /nfs/dbraw/zinc/03/10/87/433031087.db2.gz WPBWQKXIZKDYIH-GYOIFBIXSA-N 0 3 301.361 3.230 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H](O)c1ccc(F)cc1 ZINC000297909323 433031878 /nfs/dbraw/zinc/03/18/78/433031878.db2.gz WPBWQKXIZKDYIH-GEWABHDNSA-N 0 3 301.361 3.230 20 10 DGCDHN CCOc1ccc(O)c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000290826764 433181019 /nfs/dbraw/zinc/18/10/19/433181019.db2.gz HERMFQUSRCMAAU-ROUUACIJSA-N 0 3 317.429 3.324 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c([O-])c1 ZINC000290987918 433217204 /nfs/dbraw/zinc/21/72/04/433217204.db2.gz UWARRBNHKQJOGF-KRWDZBQOSA-N 0 3 307.434 3.068 20 10 DGCDHN CCOc1cccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000290997439 433217650 /nfs/dbraw/zinc/21/76/50/433217650.db2.gz APVCVKMNYHFJHF-DOTOQJQBSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000375121014 433367189 /nfs/dbraw/zinc/36/71/89/433367189.db2.gz NBRBFIZCCMVNRR-MSOLQXFVSA-N 0 3 305.418 3.086 20 10 DGCDHN CCOc1cccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1[O-] ZINC000375268477 433402607 /nfs/dbraw/zinc/40/26/07/433402607.db2.gz UGVHNEZANUDMCC-UHFFFAOYSA-N 0 3 315.417 3.202 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1[O-] ZINC000282928252 433641920 /nfs/dbraw/zinc/64/19/20/433641920.db2.gz HWKCURICFNKDCN-KRWDZBQOSA-N 0 3 315.413 3.231 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1[O-] ZINC000283374791 433713941 /nfs/dbraw/zinc/71/39/41/433713941.db2.gz OHCUTICLQFDTSP-HFTRVMKXSA-N 0 3 319.445 3.001 20 10 DGCDHN COCC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CCOCC1 ZINC000293785246 433865776 /nfs/dbraw/zinc/86/57/76/433865776.db2.gz UCQANMYRJFEQGT-OAHLLOKOSA-N 0 3 307.434 3.103 20 10 DGCDHN CCOc1cccc(C[NH2+]CCCc2cccc(C)n2)c1[O-] ZINC000285424204 433943677 /nfs/dbraw/zinc/94/36/77/433943677.db2.gz DVJCWPPVRUTCEN-UHFFFAOYSA-N 0 3 300.402 3.217 20 10 DGCDHN CCc1nn(C)c(OC)c1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000294559018 434119323 /nfs/dbraw/zinc/11/93/23/434119323.db2.gz BIDAOZOMTVRZDZ-CYBMUJFWSA-N 0 3 317.433 3.164 20 10 DGCDHN CN(Cc1cccs1)c1ccc(CN2CCC[C@H](O)C2)cc1 ZINC000294556249 434119447 /nfs/dbraw/zinc/11/94/47/434119447.db2.gz LQRJQNCMUXPYHS-KRWDZBQOSA-N 0 3 316.470 3.341 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](CC(C)C)CN2CCCC2)c1[O-] ZINC000294666778 434126919 /nfs/dbraw/zinc/12/69/19/434126919.db2.gz AGQLOQZFUOKQRM-INIZCTEOSA-N 0 3 306.450 3.001 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)OC)c1 ZINC000294715936 434129949 /nfs/dbraw/zinc/12/99/49/434129949.db2.gz FAXYHOVQYQINGA-RHSMWYFYSA-N 0 3 315.413 3.309 20 10 DGCDHN COc1cccc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000295008355 434157388 /nfs/dbraw/zinc/15/73/88/434157388.db2.gz JDIAIIDZZISAFJ-HNNXBMFYSA-N 0 3 321.804 3.220 20 10 DGCDHN CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000295883045 434444569 /nfs/dbraw/zinc/44/45/69/434444569.db2.gz HUWAXRVTNDZLGR-SJORKVTESA-N 0 3 314.404 3.411 20 10 DGCDHN CN(C)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000295883025 434445084 /nfs/dbraw/zinc/44/50/84/434445084.db2.gz HUWAXRVTNDZLGR-DLBZAZTESA-N 0 3 314.404 3.411 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CCc3sccc3C1)CC2 ZINC000296110896 434511489 /nfs/dbraw/zinc/51/14/89/434511489.db2.gz USTXZCABRBCOML-HNNXBMFYSA-N 0 3 314.454 3.089 20 10 DGCDHN CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000296161092 434527453 /nfs/dbraw/zinc/52/74/53/434527453.db2.gz XEQDPWJKYRYJGP-IRXDYDNUSA-N 0 3 314.404 3.411 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000367684778 434554937 /nfs/dbraw/zinc/55/49/37/434554937.db2.gz LLVGFASPQICZQO-CVEARBPZSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000367684778 434554942 /nfs/dbraw/zinc/55/49/42/434554942.db2.gz LLVGFASPQICZQO-CVEARBPZSA-N 0 3 319.445 3.430 20 10 DGCDHN COc1ccc([O-])c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000368003576 434564428 /nfs/dbraw/zinc/56/44/28/434564428.db2.gz ZEOSIRQUMFVNRF-UHFFFAOYSA-N 0 3 321.808 3.088 20 10 DGCDHN COc1ccc(O)c(CN2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000368003576 434564436 /nfs/dbraw/zinc/56/44/36/434564436.db2.gz ZEOSIRQUMFVNRF-UHFFFAOYSA-N 0 3 321.808 3.088 20 10 DGCDHN O=C1OCCC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000370066185 434608006 /nfs/dbraw/zinc/60/80/06/434608006.db2.gz GIVPISGKJMEPKV-UHFFFAOYSA-N 0 3 311.381 3.075 20 10 DGCDHN COc1cccc([C@H](CNCc2ccc3c(c2)CCO3)OC)c1 ZINC000527739698 435013760 /nfs/dbraw/zinc/01/37/60/435013760.db2.gz SPJLKWXKIXLSII-IBGZPJMESA-N 0 3 313.397 3.107 20 10 DGCDHN C[C@@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCCC1 ZINC000530109162 313321104 /nfs/dbraw/zinc/32/11/04/313321104.db2.gz WTVOKDWRFHKUPO-SCLBCKFNSA-N 0 3 319.445 3.466 20 10 DGCDHN C[C@@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCCC1 ZINC000530109162 313321107 /nfs/dbraw/zinc/32/11/07/313321107.db2.gz WTVOKDWRFHKUPO-SCLBCKFNSA-N 0 3 319.445 3.466 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@H]2CN(C)Cc3ccccc32)c1 ZINC000370376192 534205885 /nfs/dbraw/zinc/20/58/85/534205885.db2.gz XDDZTXHKNZYWNC-UGSOOPFHSA-N 0 3 312.413 3.238 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180020575 521059162 /nfs/dbraw/zinc/05/91/62/521059162.db2.gz MXECQFYRMNKPBQ-KBPBESRZSA-N 0 3 322.424 3.048 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180020575 521059170 /nfs/dbraw/zinc/05/91/70/521059170.db2.gz MXECQFYRMNKPBQ-KBPBESRZSA-N 0 3 322.424 3.048 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@](C)(O)C2CCCCC2)c1[O-] ZINC000191673596 521364175 /nfs/dbraw/zinc/36/41/75/521364175.db2.gz RAPWUZRPFFQGJT-SFHVURJKSA-N 0 3 307.434 3.212 20 10 DGCDHN CCOc1cccc(CNCc2ccccc2N(C)C)c1O ZINC000267896238 521368266 /nfs/dbraw/zinc/36/82/66/521368266.db2.gz WJONOVPGHDLQJB-UHFFFAOYSA-N 0 3 300.402 3.147 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000267203717 521372809 /nfs/dbraw/zinc/37/28/09/521372809.db2.gz PEKBVCDNJZYAGG-PXAZEXFGSA-N 0 3 319.376 3.142 20 10 DGCDHN CCSc1cc(CNCc2cc(OC)ccc2O)ccn1 ZINC000190196192 521734156 /nfs/dbraw/zinc/73/41/56/521734156.db2.gz YWMITSGJMALBCM-UHFFFAOYSA-N 0 3 304.415 3.198 20 10 DGCDHN CC[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000227714360 522553501 /nfs/dbraw/zinc/55/35/01/522553501.db2.gz UASVTRCFLORHNC-OLZOCXBDSA-N 0 3 308.422 3.346 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCc2ccc(F)cc2)cc1OC ZINC000159924788 522770291 /nfs/dbraw/zinc/77/02/91/522770291.db2.gz AMIWZRLPIBEJNC-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccc(F)cc2)cc1OC ZINC000159924788 522770300 /nfs/dbraw/zinc/77/03/00/522770300.db2.gz AMIWZRLPIBEJNC-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183618598 522871937 /nfs/dbraw/zinc/87/19/37/522871937.db2.gz UDHDQOBUOSEPKT-ZDUSSCGKSA-N 0 3 317.385 3.139 20 10 DGCDHN Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000189092545 524467573 /nfs/dbraw/zinc/46/75/73/524467573.db2.gz SLRHPKGNINZSNN-CRAIPNDOSA-N 0 3 324.424 3.152 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOc2ccccc2F)c1 ZINC000182458725 524763228 /nfs/dbraw/zinc/76/32/28/524763228.db2.gz XBRNLMFEFUUOIG-GFCCVEGCSA-N 0 3 305.349 3.270 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000185829016 524774982 /nfs/dbraw/zinc/77/49/82/524774982.db2.gz FPMUVUNVJDYFCD-SUMWQHHRSA-N 0 3 307.434 3.383 20 10 DGCDHN Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000179875688 524971227 /nfs/dbraw/zinc/97/12/27/524971227.db2.gz UMNDPUDODBTSCB-WMLDXEAASA-N 0 3 310.397 3.157 20 10 DGCDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccccc1O ZINC000179873160 525460436 /nfs/dbraw/zinc/46/04/36/525460436.db2.gz VGXHELGWPYDNBC-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265738616 525815855 /nfs/dbraw/zinc/81/58/55/525815855.db2.gz DFSQVMVKXALOTF-ACJLOTCBSA-N 0 3 317.454 3.261 20 10 DGCDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000177975411 528035015 /nfs/dbraw/zinc/03/50/15/528035015.db2.gz ZTNCISLYCLBCNU-INIZCTEOSA-N 0 3 317.477 3.023 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1[O-] ZINC000282928260 528653815 /nfs/dbraw/zinc/65/38/15/528653815.db2.gz HWKCURICFNKDCN-QGZVFWFLSA-N 0 3 315.413 3.231 20 10 DGCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000273596479 536896574 /nfs/dbraw/zinc/89/65/74/536896574.db2.gz QWXVJDMCNWVVLW-JTQLQIEISA-N 0 3 320.320 3.299 20 10 DGCDHN COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(OC)c1[O-])CC2 ZINC000289481586 536992436 /nfs/dbraw/zinc/99/24/36/536992436.db2.gz QOLYAUBGMNCEDF-MRXNPFEDSA-N 0 3 313.397 3.057 20 10 DGCDHN CCOc1cccc(C[NH2+]CC(C)(C)c2ccccn2)c1[O-] ZINC000294736361 546423716 /nfs/dbraw/zinc/42/37/16/546423716.db2.gz GSQQVKKJMIGMFM-UHFFFAOYSA-N 0 3 300.402 3.253 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)CC1CCOCC1 ZINC000732983431 574590132 /nfs/dbraw/zinc/59/01/32/574590132.db2.gz WKERABFRSJKWCN-UHFFFAOYSA-N 0 3 301.386 3.414 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)CC1CCOCC1 ZINC000732983431 574590133 /nfs/dbraw/zinc/59/01/33/574590133.db2.gz WKERABFRSJKWCN-UHFFFAOYSA-N 0 3 301.386 3.414 20 10 DGCDHN Cc1ccc(O)c(CN[C@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000733325755 574616007 /nfs/dbraw/zinc/61/60/07/574616007.db2.gz WKEYJADDHMOFEU-QGZVFWFLSA-N 0 3 312.413 3.010 20 10 DGCDHN Cc1cc([O-])c(C[NH+]2CCC(C3OCCO3)CC2)cc1C(C)C ZINC000738138215 574859646 /nfs/dbraw/zinc/85/96/46/574859646.db2.gz KVVQONZESLZJSF-UHFFFAOYSA-N 0 3 319.445 3.409 20 10 DGCDHN COC(C)(C)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742380170 574994019 /nfs/dbraw/zinc/99/40/19/574994019.db2.gz JDPBWEJCCCCVCJ-UHFFFAOYSA-N 0 3 321.421 3.100 20 10 DGCDHN COc1ccc(C2([NH2+]Cc3ccccc3[O-])CCOCC2)cc1 ZINC000742373335 574993436 /nfs/dbraw/zinc/99/34/36/574993436.db2.gz VFQZXXHURAFMTB-UHFFFAOYSA-N 0 3 313.397 3.196 20 10 DGCDHN O=C(NCCCCCCC[NH+]1CCCC1)c1cc([O-])cs1 ZINC000746884542 575482297 /nfs/dbraw/zinc/48/22/97/575482297.db2.gz JKHGLHHZZHVWRY-UHFFFAOYSA-N 0 3 310.463 3.230 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H](COC)Cc2ccccc2)c1 ZINC000747100911 575496285 /nfs/dbraw/zinc/49/62/85/575496285.db2.gz XZYONIWUVCOOTQ-KRWDZBQOSA-N 0 3 315.413 3.138 20 10 DGCDHN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000751605002 575793086 /nfs/dbraw/zinc/79/30/86/575793086.db2.gz NTJJEGMGRFCIRP-BBRMVZONSA-N 0 3 311.381 3.499 20 10 DGCDHN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000751605002 575793088 /nfs/dbraw/zinc/79/30/88/575793088.db2.gz NTJJEGMGRFCIRP-BBRMVZONSA-N 0 3 311.381 3.499 20 10 DGCDHN CCCN(CC(=O)NC1CCC(C)CC1)Cc1ccccc1O ZINC000727831067 576148487 /nfs/dbraw/zinc/14/84/87/576148487.db2.gz GKDREZHUANVYNO-UHFFFAOYSA-N 0 3 318.461 3.299 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCSCC3)c2c1 ZINC000917461954 620669527 /nfs/dbraw/zinc/66/95/27/620669527.db2.gz FZPJUNSONCHPBX-UHFFFAOYSA-N 0 3 303.427 3.493 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCSCC3)c2c1 ZINC000917461954 620669528 /nfs/dbraw/zinc/66/95/28/620669528.db2.gz FZPJUNSONCHPBX-UHFFFAOYSA-N 0 3 303.427 3.493 20 10 DGCDHN CN(C)c1ccc([C@H](CNC(=O)CCC2(C)CC2)N(C)C)cc1 ZINC000891257839 617761201 /nfs/dbraw/zinc/76/12/01/617761201.db2.gz KPWAGDJHXVSPIY-KRWDZBQOSA-N 0 3 317.477 3.052 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891853212 617912000 /nfs/dbraw/zinc/91/20/00/617912000.db2.gz FINDXPBEQZXSAE-CVEARBPZSA-N 0 3 323.408 3.238 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891853212 617912003 /nfs/dbraw/zinc/91/20/03/617912003.db2.gz FINDXPBEQZXSAE-CVEARBPZSA-N 0 3 323.408 3.238 20 10 DGCDHN CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1(C)C ZINC000892102049 617962015 /nfs/dbraw/zinc/96/20/15/617962015.db2.gz REYOSEVFFMAJKU-GJZGRUSLSA-N 0 3 323.433 3.045 20 10 DGCDHN CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1(C)C ZINC000892102049 617962018 /nfs/dbraw/zinc/96/20/18/617962018.db2.gz REYOSEVFFMAJKU-GJZGRUSLSA-N 0 3 323.433 3.045 20 10 DGCDHN COc1ccc(CN[C@@H]2CCCc3occc32)c(O)c1OC ZINC000892552188 618106918 /nfs/dbraw/zinc/10/69/18/618106918.db2.gz SODSAHSEFYWACA-CYBMUJFWSA-N 0 3 303.358 3.170 20 10 DGCDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(N(C)C)cc1 ZINC000920258069 620793184 /nfs/dbraw/zinc/79/31/84/620793184.db2.gz GLCBVKLWUHFVEL-SZMVWBNQSA-N 0 3 316.445 3.059 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1nccn1C ZINC000840894450 618337413 /nfs/dbraw/zinc/33/74/13/618337413.db2.gz RNZAYKYOJDFWHE-HUUCEWRRSA-N 0 3 300.450 3.076 20 10 DGCDHN COc1ccc(F)cc1CNCc1cc(C)cc(OC)c1O ZINC000894495533 618357658 /nfs/dbraw/zinc/35/76/58/618357658.db2.gz PEBZSCSHOBPEJX-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN COc1ccc(CN[C@H]2CSc3ccccc32)c(O)c1OC ZINC000892992833 618381890 /nfs/dbraw/zinc/38/18/90/618381890.db2.gz ZNMFTSHMAGWVSY-ZDUSSCGKSA-N 0 3 317.410 3.346 20 10 DGCDHN COc1ccc(CN[C@@H]2CSc3ccccc32)c(O)c1OC ZINC000892992831 618381975 /nfs/dbraw/zinc/38/19/75/618381975.db2.gz ZNMFTSHMAGWVSY-CYBMUJFWSA-N 0 3 317.410 3.346 20 10 DGCDHN COc1cc(C)cc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000895457284 618787122 /nfs/dbraw/zinc/78/71/22/618787122.db2.gz DRIITSXZDUJENV-UHFFFAOYSA-N 0 3 316.357 3.216 20 10 DGCDHN C[C@H]1CN(Cc2cccc(Cl)c2[O-])CCN1c1cc[nH+]cc1 ZINC000895558289 618799162 /nfs/dbraw/zinc/79/91/62/618799162.db2.gz VDDJBKHPDIVMLA-ZDUSSCGKSA-N 0 3 317.820 3.151 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785632 618830484 /nfs/dbraw/zinc/83/04/84/618830484.db2.gz YIFKMGZAVMMGKO-IMFGXOCKSA-N 0 3 309.409 3.262 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785632 618830485 /nfs/dbraw/zinc/83/04/85/618830485.db2.gz YIFKMGZAVMMGKO-IMFGXOCKSA-N 0 3 309.409 3.262 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000896194588 618885424 /nfs/dbraw/zinc/88/54/24/618885424.db2.gz DSGGUTLCRUMCOM-UHFFFAOYSA-N 0 3 301.365 3.003 20 10 DGCDHN CO[C@]12CCC[C@@]1(NC/C=C\c1ccc(N(C)C)cc1)CCO2 ZINC000896411443 618908993 /nfs/dbraw/zinc/90/89/93/618908993.db2.gz AASWOMNJEKSAMK-FHLMBLHRSA-N 0 3 316.445 3.041 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CCC[C@H](c3ccn(C)n3)C2)cc1 ZINC000896488565 618917968 /nfs/dbraw/zinc/91/79/68/618917968.db2.gz IDISDKJYVNDMJM-JXTAAOLFSA-N 0 3 324.472 3.379 20 10 DGCDHN COc1ccc(CN[C@@H](c2ccccn2)C2CC2)c(O)c1OC ZINC000896609486 618934811 /nfs/dbraw/zinc/93/48/11/618934811.db2.gz OHDWFUCNRXNJTK-MRXNPFEDSA-N 0 3 314.385 3.045 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c([O-])c1 ZINC000897268150 619039626 /nfs/dbraw/zinc/03/96/26/619039626.db2.gz UUDUQVLDBUBWGO-MRXNPFEDSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c([O-])c1 ZINC000897268150 619039629 /nfs/dbraw/zinc/03/96/29/619039629.db2.gz UUDUQVLDBUBWGO-MRXNPFEDSA-N 0 3 319.445 3.430 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615775 619167431 /nfs/dbraw/zinc/16/74/31/619167431.db2.gz FAENBQMGMPTQHS-LBPRGKRZSA-N 0 3 323.318 3.191 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615775 619167432 /nfs/dbraw/zinc/16/74/32/619167432.db2.gz FAENBQMGMPTQHS-LBPRGKRZSA-N 0 3 323.318 3.191 20 10 DGCDHN CCO[C@]12CCC[C@@]1(NCc1ccc3c(c1)CCCO3)CCO2 ZINC000897973007 619196472 /nfs/dbraw/zinc/19/64/72/619196472.db2.gz MDUYPGYRAYTSPH-MOPGFXCFSA-N 0 3 317.429 3.177 20 10 DGCDHN Cc1cc([O-])c(CN2CCC([NH2+]C3CCC3)CC2)c(Cl)c1 ZINC000897982474 619202989 /nfs/dbraw/zinc/20/29/89/619202989.db2.gz LGXRSHSVBXZCGA-UHFFFAOYSA-N 0 3 308.853 3.461 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccccc1[O-] ZINC000926925728 619250028 /nfs/dbraw/zinc/25/00/28/619250028.db2.gz KVIFPLPBEMQZKD-RYUDHWBXSA-N 0 3 302.340 3.070 20 10 DGCDHN CCOCCOCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000927085467 619263843 /nfs/dbraw/zinc/26/38/43/619263843.db2.gz IJYUCVYOPMBIKW-LBPRGKRZSA-N 0 3 301.814 3.058 20 10 DGCDHN Cc1cc(CCN[C@@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1 ZINC000902731196 619667207 /nfs/dbraw/zinc/66/72/07/619667207.db2.gz WHZXPVAEMFAKPI-HNNXBMFYSA-N 0 3 323.444 3.116 20 10 DGCDHN Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000903165997 619728597 /nfs/dbraw/zinc/72/85/97/619728597.db2.gz ZSOSDSDRQKNHDP-NSHDSACASA-N 0 3 313.323 3.267 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000903179554 619730981 /nfs/dbraw/zinc/73/09/81/619730981.db2.gz QHACUBDEGYBBHV-GMOODISLSA-N 0 3 307.287 3.292 20 10 DGCDHN CCN(C(=O)C[NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000903197276 619734341 /nfs/dbraw/zinc/73/43/41/619734341.db2.gz MNSLDRJJLNMCGQ-CYBMUJFWSA-N 0 3 316.376 3.235 20 10 DGCDHN COc1cccc([C@H](C)NCc2cnn(CC3CCC3)c2)c1O ZINC000903240078 619742658 /nfs/dbraw/zinc/74/26/58/619742658.db2.gz OBVDZEHZSHNWLV-ZDUSSCGKSA-N 0 3 315.417 3.248 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c([O-])c1 ZINC000903310773 619757420 /nfs/dbraw/zinc/75/74/20/619757420.db2.gz QQEPNFJKKGSGND-UGSOOPFHSA-N 0 3 303.377 3.398 20 10 DGCDHN C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000903312278 619757917 /nfs/dbraw/zinc/75/79/17/619757917.db2.gz YKLMHLYYWIXEKK-GTNSWQLSSA-N 0 3 307.340 3.229 20 10 DGCDHN CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1=O ZINC000903389779 619770815 /nfs/dbraw/zinc/77/08/15/619770815.db2.gz XFUPDQGOGNNIQX-BXUZGUMPSA-N 0 3 310.825 3.016 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(CCO)cc2)c2c1c(F)ccc2[O-] ZINC000903404257 619770835 /nfs/dbraw/zinc/77/08/35/619770835.db2.gz YZPGHRWSWOTEPB-WBMJQRKESA-N 0 3 315.388 3.404 20 10 DGCDHN CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1=O ZINC000903389780 619770896 /nfs/dbraw/zinc/77/08/96/619770896.db2.gz XFUPDQGOGNNIQX-FZMZJTMJSA-N 0 3 310.825 3.016 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(CCO)cc2)c2c1c(F)ccc2[O-] ZINC000903404254 619771014 /nfs/dbraw/zinc/77/10/14/619771014.db2.gz YZPGHRWSWOTEPB-LRDDRELGSA-N 0 3 315.388 3.404 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Cl)c1 ZINC000903983067 619847941 /nfs/dbraw/zinc/84/79/41/619847941.db2.gz BFFQXZFXJBAXAU-PWSUYJOCSA-N 0 3 322.758 3.066 20 10 DGCDHN CCCN(CC(=O)NCC1CCCCC1)Cc1ccccc1O ZINC000110737198 620635049 /nfs/dbraw/zinc/63/50/49/620635049.db2.gz PQQNHLOLUVSUCA-UHFFFAOYSA-N 0 3 318.461 3.301 20 10 DGCDHN c1cc2c(cc1CNCc1ccc3c(c1)OCCO3)CCCO2 ZINC000921483928 620861067 /nfs/dbraw/zinc/86/10/67/620861067.db2.gz ZPIFCUVBSOGISC-UHFFFAOYSA-N 0 3 311.381 3.073 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cnn(CC3CCC3)c2)c1 ZINC000922217718 621007698 /nfs/dbraw/zinc/00/76/98/621007698.db2.gz WHGQHIZLDPSUOX-ZDUSSCGKSA-N 0 3 315.417 3.248 20 10 DGCDHN CN1C[C@@H](CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000922488863 621045535 /nfs/dbraw/zinc/04/55/35/621045535.db2.gz LTZPNOCTLUXXTQ-HNNXBMFYSA-N 0 3 324.424 3.017 20 10 DGCDHN COc1ccc(CNCc2ccc(N(C)C)cc2C)cc1OC ZINC000115629305 621119130 /nfs/dbraw/zinc/11/91/30/621119130.db2.gz PKOWWWLPYCMHBH-UHFFFAOYSA-N 0 3 314.429 3.368 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@](C)(O)c2ccccc2)cc1F ZINC000858137517 621156751 /nfs/dbraw/zinc/15/67/51/621156751.db2.gz SMRPDLMKMFBUCG-GOSISDBHSA-N 0 3 320.383 3.028 20 10 DGCDHN CCN(CC)c1ccc(CN[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000858280718 621171517 /nfs/dbraw/zinc/17/15/17/621171517.db2.gz BEESWWFSPARIPS-LJQANCHMSA-N 0 3 323.440 3.186 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccccc1[O-] ZINC000858448591 621192468 /nfs/dbraw/zinc/19/24/68/621192468.db2.gz DHKOVOAPOFVJKR-JSGCOSHPSA-N 0 3 313.323 3.433 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(F)ccc1[O-] ZINC000858453921 621193224 /nfs/dbraw/zinc/19/32/24/621193224.db2.gz QLVSJOZJAKYGHZ-WBMJQRKESA-N 0 3 301.361 3.323 20 10 DGCDHN CC(=O)N(C)c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000858496589 621198064 /nfs/dbraw/zinc/19/80/64/621198064.db2.gz ABLKGOKKRQKMEL-KRWDZBQOSA-N 0 3 310.397 3.152 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN(C)CC(F)F)c1[O-] ZINC000858596945 621208483 /nfs/dbraw/zinc/20/84/83/621208483.db2.gz RFWDFELNJCWBCJ-SNVBAGLBSA-N 0 3 306.784 3.202 20 10 DGCDHN CC1CC[NH+](C2CCC(NC(=O)c3cc([O-])cs3)CC2)CC1 ZINC000752650831 621403291 /nfs/dbraw/zinc/40/32/91/621403291.db2.gz SABMRXVCMULKBC-UHFFFAOYSA-N 0 3 322.474 3.227 20 10 DGCDHN COc1cccc(CN2CCN(c3ccc(C)cc3)CC2)c1O ZINC000753585464 621451764 /nfs/dbraw/zinc/45/17/64/621451764.db2.gz HPTNFLXRDVKTHV-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000862464528 621592407 /nfs/dbraw/zinc/59/24/07/621592407.db2.gz ATOCPIUOYHIXJC-GOSISDBHSA-N 0 3 323.392 3.411 20 10 DGCDHN CCc1cccc(CNC2(c3cc(C)no3)CCOCC2)c1O ZINC000862542634 621599507 /nfs/dbraw/zinc/59/95/07/621599507.db2.gz WAOBPZXNTCPRTC-UHFFFAOYSA-N 0 3 316.401 3.047 20 10 DGCDHN CCOc1ccc(C[NH2+]C2(CC(=O)OC)CCCCC2)c([O-])c1 ZINC000756133001 621617666 /nfs/dbraw/zinc/61/76/66/621617666.db2.gz VBFQEIQMBCLTPO-UHFFFAOYSA-N 0 3 321.417 3.147 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1[O-] ZINC000756342774 621629265 /nfs/dbraw/zinc/62/92/65/621629265.db2.gz LDMAQFXVIHADTD-RHSMWYFYSA-N 0 3 316.420 3.355 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)c2c1c(F)ccc2[O-] ZINC000756357023 621630547 /nfs/dbraw/zinc/63/05/47/621630547.db2.gz BIRAWZJSNNWHJM-IPYPFGDCSA-N 0 3 323.408 3.255 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756355693 621630629 /nfs/dbraw/zinc/63/06/29/621630629.db2.gz VKYNRNFUCVPQQD-DJSGYFEHSA-N 0 3 301.361 3.403 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756355695 621630684 /nfs/dbraw/zinc/63/06/84/621630684.db2.gz VKYNRNFUCVPQQD-WPGHFRTFSA-N 0 3 301.361 3.403 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)c2c1c(F)ccc2[O-] ZINC000756368890 621631825 /nfs/dbraw/zinc/63/18/25/621631825.db2.gz RJZKQXXINGVUTA-XHDPSFHLSA-N 0 3 304.409 3.296 20 10 DGCDHN Cc1n[nH]cc1CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756398433 621635517 /nfs/dbraw/zinc/63/55/17/621635517.db2.gz GADXJZYNODZKHP-QMTHXVAHSA-N 0 3 303.381 3.334 20 10 DGCDHN COc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)ccn1 ZINC000756402770 621635597 /nfs/dbraw/zinc/63/55/97/621635597.db2.gz YKGBQBNQSJKSHG-ZWNOBZJWSA-N 0 3 302.349 3.273 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CO)c2c1c(F)ccc2[O-] ZINC000756459512 621640104 /nfs/dbraw/zinc/64/01/04/621640104.db2.gz ORKDJHMXMWKENR-XHDPSFHLSA-N 0 3 301.361 3.362 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCCc2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000756525459 621644881 /nfs/dbraw/zinc/64/48/81/621644881.db2.gz BTVFLBCGJDALPP-RISCZKNCSA-N 0 3 303.381 3.036 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756547677 621647071 /nfs/dbraw/zinc/64/70/71/621647071.db2.gz GFLUYATTWWXVJS-IVMMDQJWSA-N 0 3 315.388 3.273 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756547679 621647318 /nfs/dbraw/zinc/64/73/18/621647318.db2.gz GFLUYATTWWXVJS-XNRPHZJLSA-N 0 3 315.388 3.273 20 10 DGCDHN Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756586720 621651310 /nfs/dbraw/zinc/65/13/10/621651310.db2.gz TXTYRWOYOQLUEI-ZUZCIYMTSA-N 0 3 301.365 3.358 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756606986 621652035 /nfs/dbraw/zinc/65/20/35/621652035.db2.gz LPTYKOQGTVYNRC-CMPLNLGQSA-N 0 3 309.381 3.401 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000756607143 621652751 /nfs/dbraw/zinc/65/27/51/621652751.db2.gz ZJDNFGTUBQUOTL-IPYPFGDCSA-N 0 3 323.408 3.112 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2nc3cc(C)ccc3[nH]2)c1 ZINC000756630999 621654148 /nfs/dbraw/zinc/65/41/48/621654148.db2.gz WXEAXIDVFMCZQC-LBPRGKRZSA-N 0 3 311.385 3.436 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2nc3ccc(C)cc3[nH]2)c1 ZINC000756630999 621654150 /nfs/dbraw/zinc/65/41/50/621654150.db2.gz WXEAXIDVFMCZQC-LBPRGKRZSA-N 0 3 311.385 3.436 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(N(C)C)CCSC2)c2c1c(F)ccc2[O-] ZINC000756638601 621655107 /nfs/dbraw/zinc/65/51/07/621655107.db2.gz UWZGVILSYBXIRJ-ZUCKAHLUSA-N 0 3 324.465 3.107 20 10 DGCDHN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-] ZINC000756709054 621659595 /nfs/dbraw/zinc/65/95/95/621659595.db2.gz VLXYFEKDGLFQGN-LLVKDONJSA-N 0 3 320.320 3.169 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCOc2ncccc2F)c2c1c(F)ccc2[O-] ZINC000756761896 621662654 /nfs/dbraw/zinc/66/26/54/621662654.db2.gz RQZOUXDYTWPEIJ-ZWNOBZJWSA-N 0 3 320.339 3.282 20 10 DGCDHN CC(C)[C@H](O)C1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756792207 621664801 /nfs/dbraw/zinc/66/48/01/621664801.db2.gz ZWWGUFCLFNUFQF-ZUCKAHLUSA-N 0 3 307.409 3.466 20 10 DGCDHN COC(=O)c1cc(CN[C@H](C)c2cc(OC)ccc2O)cs1 ZINC000839538789 621693121 /nfs/dbraw/zinc/69/31/21/621693121.db2.gz GOAQIBGYDXTILS-SNVBAGLBSA-N 0 3 321.398 3.100 20 10 DGCDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC[C@H]1C(F)(F)F ZINC000863646015 621693444 /nfs/dbraw/zinc/69/34/44/621693444.db2.gz FTUBLRIYCZKJLP-CMPLNLGQSA-N 0 3 322.758 3.005 20 10 DGCDHN C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757659430 621731902 /nfs/dbraw/zinc/73/19/02/621731902.db2.gz XUINIBASHUJOIU-UONOGXRCSA-N 0 3 321.421 3.216 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([O-])c1 ZINC000757864681 621743950 /nfs/dbraw/zinc/74/39/50/621743950.db2.gz BTCHDWOVSPWHEI-RDJZCZTQSA-N 0 3 307.434 3.020 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([O-])c1 ZINC000757864681 621743952 /nfs/dbraw/zinc/74/39/52/621743952.db2.gz BTCHDWOVSPWHEI-RDJZCZTQSA-N 0 3 307.434 3.020 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000757873987 621744370 /nfs/dbraw/zinc/74/43/70/621744370.db2.gz FOGZMFUAINYPMQ-UHFFFAOYSA-N 0 3 312.413 3.251 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC(OC(C)C)CC2)c1O ZINC000761191897 621993171 /nfs/dbraw/zinc/99/31/71/621993171.db2.gz FAXWTYZZZFAYQJ-UHFFFAOYSA-N 0 3 313.825 3.444 20 10 DGCDHN COc1cc(Cl)cc(CN2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000761195875 621993178 /nfs/dbraw/zinc/99/31/78/621993178.db2.gz QIKCJRNHEDFSJU-AOOOYVTPSA-N 0 3 301.839 3.380 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C1CCOCC1 ZINC000761215463 621994770 /nfs/dbraw/zinc/99/47/70/621994770.db2.gz LURVZCXHCKLLJJ-CQSZACIVSA-N 0 3 313.825 3.349 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccccc1[O-] ZINC000866422213 622115413 /nfs/dbraw/zinc/11/54/13/622115413.db2.gz LKAMVYGYDGVVBX-AWEZNQCLSA-N 0 3 313.397 3.463 20 10 DGCDHN CC[C@H](NCc1cccc(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000122250138 622272742 /nfs/dbraw/zinc/27/27/42/622272742.db2.gz WMVJECOQBFKJLI-SFHVURJKSA-N 0 3 311.429 3.092 20 10 DGCDHN COCCN(Cc1ccccc1)Cc1c(O)cccc1OC ZINC000768159355 622442280 /nfs/dbraw/zinc/44/22/80/622442280.db2.gz BMQCQJGJEIJVFR-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)c([O-])c1 ZINC000768161697 622442638 /nfs/dbraw/zinc/44/26/38/622442638.db2.gz WZPNALDHOMOPPU-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2)c([O-])c1 ZINC000768161697 622442641 /nfs/dbraw/zinc/44/26/41/622442641.db2.gz WZPNALDHOMOPPU-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CCOc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c([O-])c1 ZINC000768197391 622444787 /nfs/dbraw/zinc/44/47/87/622444787.db2.gz JQLLGKHTHCYVQA-UHFFFAOYSA-N 0 3 315.369 3.152 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c([O-])c1 ZINC000768197391 622444789 /nfs/dbraw/zinc/44/47/89/622444789.db2.gz JQLLGKHTHCYVQA-UHFFFAOYSA-N 0 3 315.369 3.152 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000768197827 622445178 /nfs/dbraw/zinc/44/51/78/622445178.db2.gz NLSZCPFLAVMIJW-QGZVFWFLSA-N 0 3 300.402 3.467 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)c([O-])c1 ZINC000768197827 622445180 /nfs/dbraw/zinc/44/51/80/622445180.db2.gz NLSZCPFLAVMIJW-QGZVFWFLSA-N 0 3 300.402 3.467 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(Cc3ccsc3)CC2)c1 ZINC000768208484 622445708 /nfs/dbraw/zinc/44/57/08/622445708.db2.gz RABCVRVLXOPFLZ-UHFFFAOYSA-N 0 3 302.443 3.080 20 10 DGCDHN CCN(Cc1ccc(OC)cc1)Cc1c(O)cccc1OC ZINC000768334236 622450499 /nfs/dbraw/zinc/45/04/99/622450499.db2.gz NUHYBGSWOHRVDS-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@H+](Cc1ccc(OC)cc1)Cc1c([O-])cccc1OC ZINC000768334236 622450500 /nfs/dbraw/zinc/45/05/00/622450500.db2.gz NUHYBGSWOHRVDS-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@@H+](Cc1ccc(OC)cc1)Cc1c([O-])cccc1OC ZINC000768334236 622450501 /nfs/dbraw/zinc/45/05/01/622450501.db2.gz NUHYBGSWOHRVDS-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]2CCCC[C@H]12 ZINC000768439149 622455929 /nfs/dbraw/zinc/45/59/29/622455929.db2.gz ILEWYCVLSXVEGR-CAGXHZNZSA-N 0 3 317.429 3.219 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]2CCCC[C@H]12 ZINC000768439149 622455932 /nfs/dbraw/zinc/45/59/32/622455932.db2.gz ILEWYCVLSXVEGR-CAGXHZNZSA-N 0 3 317.429 3.219 20 10 DGCDHN CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000768595044 622466559 /nfs/dbraw/zinc/46/65/59/622466559.db2.gz DOWMUESCVJUBPF-UHFFFAOYSA-N 0 3 305.418 3.382 20 10 DGCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2c2cc(C)no2)c1 ZINC000768878546 622482765 /nfs/dbraw/zinc/48/27/65/622482765.db2.gz QRJPTNVWMXBKEY-OAHLLOKOSA-N 0 3 302.374 3.424 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000769316372 622516821 /nfs/dbraw/zinc/51/68/21/622516821.db2.gz OETGOCNKTVTGHP-LJQANCHMSA-N 0 3 313.397 3.364 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000769316372 622516823 /nfs/dbraw/zinc/51/68/23/622516823.db2.gz OETGOCNKTVTGHP-LJQANCHMSA-N 0 3 313.397 3.364 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1[O-] ZINC000769471427 622531102 /nfs/dbraw/zinc/53/11/02/622531102.db2.gz UHPUGHQVPKIPNE-VHSXEESVSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(Br)cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1[O-] ZINC000769471427 622531103 /nfs/dbraw/zinc/53/11/03/622531103.db2.gz UHPUGHQVPKIPNE-VHSXEESVSA-N 0 3 314.223 3.394 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)c([O-])c1 ZINC000769474877 622531444 /nfs/dbraw/zinc/53/14/44/622531444.db2.gz SWQZKCDJXDMQJC-DLBZAZTESA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)c([O-])c1 ZINC000769474877 622531446 /nfs/dbraw/zinc/53/14/46/622531446.db2.gz SWQZKCDJXDMQJC-DLBZAZTESA-N 0 3 307.434 3.426 20 10 DGCDHN CC[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000872110205 622812765 /nfs/dbraw/zinc/81/27/65/622812765.db2.gz WSAFDSKHWQCVLU-LBPRGKRZSA-N 0 3 313.323 3.348 20 10 DGCDHN CCn1nc(C)c(CN(C)Cc2cc3c(cc2O)CCC3)c1C ZINC000872632470 622945276 /nfs/dbraw/zinc/94/52/76/622945276.db2.gz SQVQBTPLSQLTQX-UHFFFAOYSA-N 0 3 313.445 3.346 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCOC[C@@H]3C)c2c1 ZINC000772819464 622945831 /nfs/dbraw/zinc/94/58/31/622945831.db2.gz CPBMVCICVVAMLZ-ZDUSSCGKSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCOC[C@@H]3C)c2c1 ZINC000772819464 622945836 /nfs/dbraw/zinc/94/58/36/622945836.db2.gz CPBMVCICVVAMLZ-ZDUSSCGKSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(C)=O)CC3)c2c1 ZINC000872799167 622980967 /nfs/dbraw/zinc/98/09/67/622980967.db2.gz ZSXBXCNFPWMZSE-UHFFFAOYSA-N 0 3 313.397 3.355 20 10 DGCDHN CCC(C)(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774480466 623150655 /nfs/dbraw/zinc/15/06/55/623150655.db2.gz CCYIKESFWSLIGM-UONOGXRCSA-N 0 3 305.466 3.097 20 10 DGCDHN Cc1ccncc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775253968 623246880 /nfs/dbraw/zinc/24/68/80/623246880.db2.gz DPLSAYWPPZVKNX-INIZCTEOSA-N 0 3 311.429 3.077 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccccc1[O-] ZINC000775488643 623280140 /nfs/dbraw/zinc/28/01/40/623280140.db2.gz PVFAPVRZVYKUNA-INIZCTEOSA-N 0 3 316.401 3.053 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000775522677 623284339 /nfs/dbraw/zinc/28/43/39/623284339.db2.gz XNLIHDSFQGZFPA-DLBZAZTESA-N 0 3 316.445 3.367 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC)C1)c1ccccc1[O-] ZINC000775579983 623292766 /nfs/dbraw/zinc/29/27/66/623292766.db2.gz RQHHXCHVSCQGFJ-LZWOXQAQSA-N 0 3 320.433 3.300 20 10 DGCDHN Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)o1 ZINC000775672861 623310626 /nfs/dbraw/zinc/31/06/26/623310626.db2.gz PHBSOKYFNNSUOO-LBPRGKRZSA-N 0 3 321.808 3.425 20 10 DGCDHN Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)o1 ZINC000775672861 623310633 /nfs/dbraw/zinc/31/06/33/623310633.db2.gz PHBSOKYFNNSUOO-LBPRGKRZSA-N 0 3 321.808 3.425 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+](C[C@H](C)O)C(C)C)c1[O-] ZINC000775680474 623312704 /nfs/dbraw/zinc/31/27/04/623312704.db2.gz FYNMMMKPLFAPDN-NSHDSACASA-N 0 3 316.239 3.054 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+](C[C@H](C)O)C(C)C)c1[O-] ZINC000775680474 623312708 /nfs/dbraw/zinc/31/27/08/623312708.db2.gz FYNMMMKPLFAPDN-NSHDSACASA-N 0 3 316.239 3.054 20 10 DGCDHN Cc1cc(Br)cc(CN(C)Cc2cccn2C)c1O ZINC000775713388 623318419 /nfs/dbraw/zinc/31/84/19/623318419.db2.gz LTQQFONLLSMCIK-UHFFFAOYSA-N 0 3 323.234 3.434 20 10 DGCDHN Cc1cccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775835466 623339290 /nfs/dbraw/zinc/33/92/90/623339290.db2.gz ZINKVCVPVNHFOS-HNNXBMFYSA-N 0 3 311.429 3.350 20 10 DGCDHN COC(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775837505 623339523 /nfs/dbraw/zinc/33/95/23/623339523.db2.gz UBCNOEHRQOWJNX-LBPRGKRZSA-N 0 3 318.442 3.452 20 10 DGCDHN CCC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776174061 623390527 /nfs/dbraw/zinc/39/05/27/623390527.db2.gz GFVCSGLGHOILGE-AWEZNQCLSA-N 0 3 316.239 3.104 20 10 DGCDHN COc1cc(O)c(CN[C@H]2CSc3ccccc32)cc1OC ZINC000776207264 623397003 /nfs/dbraw/zinc/39/70/03/623397003.db2.gz FYVFPFAOUSUEDT-ZDUSSCGKSA-N 0 3 317.410 3.346 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc2c(cnn2C)c1 ZINC000876522106 623632814 /nfs/dbraw/zinc/63/28/14/623632814.db2.gz HYVRPNBUTJTDAU-UHFFFAOYSA-N 0 3 323.444 3.056 20 10 DGCDHN CC[C@](C)(C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC000876531419 623635581 /nfs/dbraw/zinc/63/55/81/623635581.db2.gz FXPVABHACSTLKH-FUHWJXTLSA-N 0 3 307.434 3.188 20 10 DGCDHN CC[C@](C)(C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC000876531419 623635583 /nfs/dbraw/zinc/63/55/83/623635583.db2.gz FXPVABHACSTLKH-FUHWJXTLSA-N 0 3 307.434 3.188 20 10 DGCDHN Cc1ccc(CN2CCCN(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000876595253 623656015 /nfs/dbraw/zinc/65/60/15/623656015.db2.gz AREZKBWLDGUQDL-UHFFFAOYSA-N 0 3 324.424 3.049 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cccn(C(F)F)c1=O ZINC000876654771 623671057 /nfs/dbraw/zinc/67/10/57/623671057.db2.gz OWZRXXCWOVHBML-UHFFFAOYSA-N 0 3 322.355 3.361 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cccn(C(F)F)c1=O ZINC000876654771 623671060 /nfs/dbraw/zinc/67/10/60/623671060.db2.gz OWZRXXCWOVHBML-UHFFFAOYSA-N 0 3 322.355 3.361 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000876656507 623672499 /nfs/dbraw/zinc/67/24/99/623672499.db2.gz CEFGHVSVXLKMDZ-OAHLLOKOSA-N 0 3 318.461 3.073 20 10 DGCDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000779000411 623719224 /nfs/dbraw/zinc/71/92/24/623719224.db2.gz VIIZHNZFPLBWCK-JKIFEVAISA-N 0 3 306.425 3.369 20 10 DGCDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000779000411 623719228 /nfs/dbraw/zinc/71/92/28/623719228.db2.gz VIIZHNZFPLBWCK-JKIFEVAISA-N 0 3 306.425 3.369 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000876887586 623736053 /nfs/dbraw/zinc/73/60/53/623736053.db2.gz BHPIELGYUXGCEL-INIZCTEOSA-N 0 3 300.402 3.220 20 10 DGCDHN COc1cc(OC)c(OC)cc1CNCc1ccc(C)cc1O ZINC000876885500 623736362 /nfs/dbraw/zinc/73/63/62/623736362.db2.gz YDSSEGZDRGHVDW-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN COc1cc(OC)c(OC)cc1CNCc1c(C)cccc1O ZINC000876885038 623736467 /nfs/dbraw/zinc/73/64/67/623736467.db2.gz SRPMIQVYWWZBPP-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H](C(N)=O)C1 ZINC000779204459 623742111 /nfs/dbraw/zinc/74/21/11/623742111.db2.gz SNUXNQGTOZJVAE-KSSFIOAISA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H](C(N)=O)C1 ZINC000779204459 623742113 /nfs/dbraw/zinc/74/21/13/623742113.db2.gz SNUXNQGTOZJVAE-KSSFIOAISA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@H](C(N)=O)C1 ZINC000779204459 623742117 /nfs/dbraw/zinc/74/21/17/623742117.db2.gz SNUXNQGTOZJVAE-KSSFIOAISA-N 0 3 324.424 3.145 20 10 DGCDHN COc1cc2c(cc1CNCc1c(C)cccc1O)O[C@H](C)C2 ZINC000876923783 623744567 /nfs/dbraw/zinc/74/45/67/623744567.db2.gz INQLKESITNUATK-CYBMUJFWSA-N 0 3 313.397 3.322 20 10 DGCDHN COc1cc2c(cc1CNCc1ccc(C)cc1O)O[C@H](C)C2 ZINC000876924353 623744729 /nfs/dbraw/zinc/74/47/29/623744729.db2.gz PWUXTEKJHCUHQQ-CYBMUJFWSA-N 0 3 313.397 3.322 20 10 DGCDHN CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000876995273 623762842 /nfs/dbraw/zinc/76/28/42/623762842.db2.gz DAZNTZDWUYETNZ-UHFFFAOYSA-N 0 3 320.433 3.177 20 10 DGCDHN COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(C)cc3[O-])C2)c1 ZINC000877005265 623764261 /nfs/dbraw/zinc/76/42/61/623764261.db2.gz QJSLGJGAEHKZOD-MRXNPFEDSA-N 0 3 312.413 3.078 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000877057972 623778555 /nfs/dbraw/zinc/77/85/55/623778555.db2.gz BSAGUXCPVQYNAD-HNNXBMFYSA-N 0 3 309.768 3.316 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000877128382 623798900 /nfs/dbraw/zinc/79/89/00/623798900.db2.gz GOHRIUMDNUDBGV-SCLBCKFNSA-N 0 3 303.377 3.442 20 10 DGCDHN Cc1ccc(C[NH2+]CCCc2nc3ccccc3n2C)c([O-])c1 ZINC000877152404 623809770 /nfs/dbraw/zinc/80/97/70/623809770.db2.gz MUNASMFITOPSQG-UHFFFAOYSA-N 0 3 309.413 3.310 20 10 DGCDHN COC(=O)c1csc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000877532039 623927081 /nfs/dbraw/zinc/92/70/81/623927081.db2.gz BWWNKWGQNLQWRV-SNVBAGLBSA-N 0 3 321.398 3.100 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000877542684 623934903 /nfs/dbraw/zinc/93/49/03/623934903.db2.gz VGOYNLDQCICTFZ-OAHLLOKOSA-N 0 3 314.404 3.456 20 10 DGCDHN Cc1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c([O-])c1 ZINC000877552062 623937918 /nfs/dbraw/zinc/93/79/18/623937918.db2.gz PKANPVRQWFMSMU-UHFFFAOYSA-N 0 3 310.319 3.447 20 10 DGCDHN Cc1ccc(O)c(CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000877590481 623954579 /nfs/dbraw/zinc/95/45/79/623954579.db2.gz ZYFFHFQQLLHNKC-HXUWFJFHSA-N 0 3 323.392 3.311 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c([O-])c1 ZINC000877628814 623969759 /nfs/dbraw/zinc/96/97/59/623969759.db2.gz KOGVWFMLMUNXPR-RBUKOAKNSA-N 0 3 311.425 3.299 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c([O-])c1 ZINC000877628814 623969761 /nfs/dbraw/zinc/96/97/61/623969761.db2.gz KOGVWFMLMUNXPR-RBUKOAKNSA-N 0 3 311.425 3.299 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](C)CC2(C)OCCO2)c1[O-] ZINC000877670210 623985158 /nfs/dbraw/zinc/98/51/58/623985158.db2.gz JXGSZIJFHFMEBA-LLVKDONJSA-N 0 3 313.825 3.233 20 10 DGCDHN Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000877672755 623986841 /nfs/dbraw/zinc/98/68/41/623986841.db2.gz MMIGCJNPUUZGEV-UHFFFAOYSA-N 0 3 324.424 3.095 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000790737621 625691073 /nfs/dbraw/zinc/69/10/73/625691073.db2.gz NTIHRCKCZCIVIQ-TZMCWYRMSA-N 0 3 321.367 3.172 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000877731450 624007617 /nfs/dbraw/zinc/00/76/17/624007617.db2.gz XOLBPBFRODTHHH-OKILXGFUSA-N 0 3 320.433 3.094 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1[O-] ZINC000877739725 624012242 /nfs/dbraw/zinc/01/22/42/624012242.db2.gz SXVIATAQTJEOOY-PWSUYJOCSA-N 0 3 313.850 3.239 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1[O-] ZINC000877739725 624012244 /nfs/dbraw/zinc/01/22/44/624012244.db2.gz SXVIATAQTJEOOY-PWSUYJOCSA-N 0 3 313.850 3.239 20 10 DGCDHN COc1ccc([C@H]2CN(Cc3c(C)cccc3O)CCO2)cc1 ZINC000877756370 624022833 /nfs/dbraw/zinc/02/28/33/624022833.db2.gz UMTOEGMOEVTCDJ-LJQANCHMSA-N 0 3 313.397 3.283 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000877814138 624046335 /nfs/dbraw/zinc/04/63/35/624046335.db2.gz UGTFSTGNEYOTTC-GFCCVEGCSA-N 0 3 304.415 3.155 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000877814138 624046336 /nfs/dbraw/zinc/04/63/36/624046336.db2.gz UGTFSTGNEYOTTC-GFCCVEGCSA-N 0 3 304.415 3.155 20 10 DGCDHN CCc1cccc(CN2CCc3ccc(NC(C)=O)cc3C2)c1O ZINC000877817990 624049144 /nfs/dbraw/zinc/04/91/44/624049144.db2.gz VIMRRUIKJLJJPG-UHFFFAOYSA-N 0 3 324.424 3.471 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000878362558 624256791 /nfs/dbraw/zinc/25/67/91/624256791.db2.gz CWIJEVHNKZCKKV-DOTOQJQBSA-N 0 3 319.445 3.409 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccccc1[O-] ZINC000878362505 624256840 /nfs/dbraw/zinc/25/68/40/624256840.db2.gz BDQDOQCABBQYKO-ZBFHGGJFSA-N 0 3 305.418 3.161 20 10 DGCDHN C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1[O-] ZINC000783503106 624358942 /nfs/dbraw/zinc/35/89/42/624358942.db2.gz GQNWHHZELUSXGM-RHSMWYFYSA-N 0 3 312.413 3.262 20 10 DGCDHN C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000783504772 624360071 /nfs/dbraw/zinc/36/00/71/624360071.db2.gz KROLCOLFVPZQDF-LBPRGKRZSA-N 0 3 318.804 3.126 20 10 DGCDHN C[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000783519758 624361369 /nfs/dbraw/zinc/36/13/69/624361369.db2.gz SVCFOHYAPRXAAY-AWEZNQCLSA-N 0 3 313.397 3.447 20 10 DGCDHN CO[C@@]1(C(F)(F)F)CCCN(Cc2cccc(C)c2O)C1 ZINC000783718770 624387530 /nfs/dbraw/zinc/38/75/30/624387530.db2.gz RTXWOYFLAGYZTM-AWEZNQCLSA-N 0 3 303.324 3.244 20 10 DGCDHN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1c([O-])cccc1OC)C2 ZINC000784623552 624560462 /nfs/dbraw/zinc/56/04/62/624560462.db2.gz NXWWWDYINRFAMD-OAHLLOKOSA-N 0 3 313.397 3.057 20 10 DGCDHN COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)ccc1[O-])CC2 ZINC000784679289 624569825 /nfs/dbraw/zinc/56/98/25/624569825.db2.gz IGFZXQZNRAYGKS-UHFFFAOYSA-N 0 3 301.361 3.141 20 10 DGCDHN COc1ccc2c(c1)CC[N@H+](Cc1cc(F)ccc1[O-])CC2 ZINC000784679289 624569831 /nfs/dbraw/zinc/56/98/31/624569831.db2.gz IGFZXQZNRAYGKS-UHFFFAOYSA-N 0 3 301.361 3.141 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1[O-] ZINC000879648120 624621155 /nfs/dbraw/zinc/62/11/55/624621155.db2.gz ZAFJIQYJEYZTQL-HLLBOEOZSA-N 0 3 316.445 3.224 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1cccnc1Cl ZINC000879648295 624621505 /nfs/dbraw/zinc/62/15/05/624621505.db2.gz IVAAZCJIEBKTRI-GHMZBOCLSA-N 0 3 319.792 3.118 20 10 DGCDHN C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1[O-] ZINC000879650617 624624588 /nfs/dbraw/zinc/62/45/88/624624588.db2.gz JRZZEXZVPABSCB-AWEZNQCLSA-N 0 3 318.461 3.328 20 10 DGCDHN Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000786578738 624925191 /nfs/dbraw/zinc/92/51/91/624925191.db2.gz IDBHCXQQYAVWAI-QGZVFWFLSA-N 0 3 319.832 3.356 20 10 DGCDHN CCOC(CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)OCC ZINC000786971695 624968715 /nfs/dbraw/zinc/96/87/15/624968715.db2.gz XRUYYUXVAWTDDA-YPMHNXCESA-N 0 3 311.397 3.458 20 10 DGCDHN CN(C)c1ccc(CN[C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000880568857 624979453 /nfs/dbraw/zinc/97/94/53/624979453.db2.gz FJEWIJNGPSBWIB-FQEVSTJZSA-N 0 3 320.440 3.480 20 10 DGCDHN CCn1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1=O ZINC000788605637 625225786 /nfs/dbraw/zinc/22/57/86/625225786.db2.gz BBEUQAHKRWOLMV-BXUZGUMPSA-N 0 3 316.376 3.051 20 10 DGCDHN [O-]c1ccc(Cl)c(F)c1CNCC[NH+]1CCCCCC1 ZINC000790950096 625720732 /nfs/dbraw/zinc/72/07/32/625720732.db2.gz VADCENCOINQRAH-UHFFFAOYSA-N 0 3 300.805 3.150 20 10 DGCDHN CC[C@@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1ccc(C)cc1[O-] ZINC000797094800 626112828 /nfs/dbraw/zinc/11/28/28/626112828.db2.gz YOUMGCIRPSOVDL-MRXNPFEDSA-N 0 3 320.433 3.220 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccccc1[O-])C(C)(C)C ZINC000798508468 626222402 /nfs/dbraw/zinc/22/24/02/626222402.db2.gz ZWWSXEMLBCDJKM-OAHLLOKOSA-N 0 3 322.449 3.421 20 10 DGCDHN C[C@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)c1ccccc1[O-] ZINC000800503879 626365290 /nfs/dbraw/zinc/36/52/90/626365290.db2.gz ALHLIFQXVHHERF-AHKFDXCISA-N 0 3 324.424 3.263 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)C(C)C ZINC000801596883 626411714 /nfs/dbraw/zinc/41/17/14/626411714.db2.gz SKMOREBBUXXMAM-OAHLLOKOSA-N 0 3 306.450 3.250 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)C(C)C ZINC000801596883 626411716 /nfs/dbraw/zinc/41/17/16/626411716.db2.gz SKMOREBBUXXMAM-OAHLLOKOSA-N 0 3 306.450 3.250 20 10 DGCDHN CCCC[N@H+](Cc1cn(C)nc1CC)Cc1ccccc1[O-] ZINC000802657804 626565234 /nfs/dbraw/zinc/56/52/34/626565234.db2.gz UAECFCSEQSHXRN-UHFFFAOYSA-N 0 3 301.434 3.490 20 10 DGCDHN CCCC[N@@H+](Cc1cn(C)nc1CC)Cc1ccccc1[O-] ZINC000802657804 626565237 /nfs/dbraw/zinc/56/52/37/626565237.db2.gz UAECFCSEQSHXRN-UHFFFAOYSA-N 0 3 301.434 3.490 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000806180534 626704873 /nfs/dbraw/zinc/70/48/73/626704873.db2.gz OXVOEXWHIPLADR-TZMCWYRMSA-N 0 3 305.805 3.472 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCC3(C2)Oc2ccccc2O3)c1 ZINC000808238440 626807712 /nfs/dbraw/zinc/80/77/12/626807712.db2.gz FSGLVPDLNSGMPL-UHFFFAOYSA-N 0 3 311.381 3.382 20 10 DGCDHN Cc1noc(CCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000808705213 626852005 /nfs/dbraw/zinc/85/20/05/626852005.db2.gz BJNDRIVUUYRBGY-JTQLQIEISA-N 0 3 309.797 3.329 20 10 DGCDHN CC(C)(C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840148809 626868825 /nfs/dbraw/zinc/86/88/25/626868825.db2.gz ANTOCHDWFMQVFW-LRDDRELGSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840148809 626868828 /nfs/dbraw/zinc/86/88/28/626868828.db2.gz ANTOCHDWFMQVFW-LRDDRELGSA-N 0 3 305.418 3.076 20 10 DGCDHN COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000810257737 626994075 /nfs/dbraw/zinc/99/40/75/626994075.db2.gz UYDTWHWVKAAAID-YPMHNXCESA-N 0 3 301.814 3.056 20 10 DGCDHN CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810262305 626994820 /nfs/dbraw/zinc/99/48/20/626994820.db2.gz OJCSKVUDFYVQDN-NEPJUHHUSA-N 0 3 300.393 3.441 20 10 DGCDHN CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810262305 626994825 /nfs/dbraw/zinc/99/48/25/626994825.db2.gz OJCSKVUDFYVQDN-NEPJUHHUSA-N 0 3 300.393 3.441 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c([O-])c1 ZINC000886764027 627201662 /nfs/dbraw/zinc/20/16/62/627201662.db2.gz JOROCWXJUIAOMU-YRBFXIGRSA-N 0 3 305.418 3.078 20 10 DGCDHN CC[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000811509936 627284005 /nfs/dbraw/zinc/28/40/05/627284005.db2.gz MQDYSFMITJQNOG-LJQANCHMSA-N 0 3 315.388 3.499 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512828 627284816 /nfs/dbraw/zinc/28/48/16/627284816.db2.gz LMDXVNLNMBBBDR-KRWDZBQOSA-N 0 3 312.388 3.168 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512828 627284820 /nfs/dbraw/zinc/28/48/20/627284820.db2.gz LMDXVNLNMBBBDR-KRWDZBQOSA-N 0 3 312.388 3.168 20 10 DGCDHN COc1cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811777272 627321127 /nfs/dbraw/zinc/32/11/27/627321127.db2.gz IGVCSWNYWUGYPI-NVXWUHKLSA-N 0 3 305.418 3.099 20 10 DGCDHN CN(Cc1ccnc(Br)c1)Cc1ccccc1O ZINC000815069658 627622173 /nfs/dbraw/zinc/62/21/73/627622173.db2.gz DWKOEFSNKJIXDC-UHFFFAOYSA-N 0 3 307.191 3.182 20 10 DGCDHN Cc1cc(CNC(C)(C)C(=O)NCC(C)(C)C)ccc1N(C)C ZINC000815080850 627624026 /nfs/dbraw/zinc/62/40/26/627624026.db2.gz KLASNRIMLSWKMI-UHFFFAOYSA-N 0 3 319.493 3.092 20 10 DGCDHN CCN(C)c1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000815108472 627627627 /nfs/dbraw/zinc/62/76/27/627627627.db2.gz XGBYBSGBMDVEQU-OAQYLSRUSA-N 0 3 324.468 3.456 20 10 DGCDHN C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]21 ZINC000816521531 627801990 /nfs/dbraw/zinc/80/19/90/627801990.db2.gz ROVSMCVWMRVMPK-XHDPSFHLSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CCC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]21 ZINC000816521531 627801991 /nfs/dbraw/zinc/80/19/91/627801991.db2.gz ROVSMCVWMRVMPK-XHDPSFHLSA-N 0 3 312.816 3.101 20 10 DGCDHN COc1ccc(CNCc2conc2Cc2ccccc2)c(O)c1 ZINC000816597520 627812284 /nfs/dbraw/zinc/81/22/84/627812284.db2.gz VIHNGODVMDUCRK-UHFFFAOYSA-N 0 3 324.380 3.269 20 10 DGCDHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611920 627814246 /nfs/dbraw/zinc/81/42/46/627814246.db2.gz AJFHRZIIZQOHTK-NHYWBVRUSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611920 627814249 /nfs/dbraw/zinc/81/42/49/627814249.db2.gz AJFHRZIIZQOHTK-NHYWBVRUSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611919 627815002 /nfs/dbraw/zinc/81/50/02/627815002.db2.gz AJFHRZIIZQOHTK-IAQYHMDHSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611919 627815003 /nfs/dbraw/zinc/81/50/03/627815003.db2.gz AJFHRZIIZQOHTK-IAQYHMDHSA-N 0 3 312.816 3.101 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1[O-] ZINC000816653335 627820657 /nfs/dbraw/zinc/82/06/57/627820657.db2.gz OGDUNRVTASVWAW-HNNXBMFYSA-N 0 3 318.804 3.060 20 10 DGCDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2[O-])C1 ZINC000817415177 627896781 /nfs/dbraw/zinc/89/67/81/627896781.db2.gz TZLHNAHMRMEBQV-HIFRSBDPSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000817415177 627896783 /nfs/dbraw/zinc/89/67/83/627896783.db2.gz TZLHNAHMRMEBQV-HIFRSBDPSA-N 0 3 305.418 3.192 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(C)cc1[O-] ZINC000817585685 627925942 /nfs/dbraw/zinc/92/59/42/627925942.db2.gz GXPWBRLZVUZXEL-DZKIICNBSA-N 0 3 304.434 3.033 20 10 DGCDHN CC[C@@H]([NH2+]CCNC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817953559 627973371 /nfs/dbraw/zinc/97/33/71/627973371.db2.gz OFRPSKMLVVZLMT-CYBMUJFWSA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969235 627978720 /nfs/dbraw/zinc/97/87/20/627978720.db2.gz AAWDAGMUEPNMFB-ZDMBXUJBSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1ccc(F)cc1[O-] ZINC000817983363 627983343 /nfs/dbraw/zinc/98/33/43/627983343.db2.gz ATJQBKSFJTVFNL-JIWOQCETSA-N 0 3 318.436 3.336 20 10 DGCDHN C[C@H](N[C@H]1CCCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984319 627983687 /nfs/dbraw/zinc/98/36/87/627983687.db2.gz QJUSUAYEBBCWJN-UWVGGRQHSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCCCNC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984319 627983689 /nfs/dbraw/zinc/98/36/89/627983689.db2.gz QJUSUAYEBBCWJN-UWVGGRQHSA-N 0 3 303.233 3.492 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(C)cc1[O-] ZINC000927053706 628002900 /nfs/dbraw/zinc/00/29/00/628002900.db2.gz BBJUQZLUADRIMY-ZFZWDLNGSA-N 0 3 305.418 3.424 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c2c1c(F)ccc2[O-] ZINC000927059557 628004806 /nfs/dbraw/zinc/00/48/06/628004806.db2.gz DIBFOXNHKSHOQJ-YGHJJULASA-N 0 3 321.392 3.352 20 10 DGCDHN CCC[C@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])OC ZINC000824543835 628668930 /nfs/dbraw/zinc/66/89/30/628668930.db2.gz QJKMTFIBDZJERU-CYBMUJFWSA-N 0 3 316.239 3.368 20 10 DGCDHN CS[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000824683846 628683568 /nfs/dbraw/zinc/68/35/68/628683568.db2.gz XKEHJTKLJLDREA-LBPRGKRZSA-N 0 3 316.264 3.400 20 10 DGCDHN CS[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000824683846 628683571 /nfs/dbraw/zinc/68/35/71/628683571.db2.gz XKEHJTKLJLDREA-LBPRGKRZSA-N 0 3 316.264 3.400 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c([O-])c1 ZINC000824845364 628699371 /nfs/dbraw/zinc/69/93/71/628699371.db2.gz KFDCQLAXCQJSRU-FUHWJXTLSA-N 0 3 309.450 3.170 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H](C)O ZINC000824922236 628707044 /nfs/dbraw/zinc/70/70/44/628707044.db2.gz YJCAYKQJYYWYDK-RDTXWAMCSA-N 0 3 315.413 3.220 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccccc1[O-] ZINC000825045746 628720528 /nfs/dbraw/zinc/72/05/28/628720528.db2.gz KPLOMUULWROGLE-DHSIGJKJSA-N 0 3 315.417 3.087 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1[O-] ZINC000825104257 628728366 /nfs/dbraw/zinc/72/83/66/628728366.db2.gz SCXGJLZVQBKGLU-HZPDHXFCSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1[O-] ZINC000825104257 628728368 /nfs/dbraw/zinc/72/83/68/628728368.db2.gz SCXGJLZVQBKGLU-HZPDHXFCSA-N 0 3 305.418 3.180 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1[O-] ZINC000825124121 628730502 /nfs/dbraw/zinc/73/05/02/628730502.db2.gz IDAVGEQPVLJLOL-NSHDSACASA-N 0 3 321.804 3.481 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1[O-] ZINC000825133511 628731336 /nfs/dbraw/zinc/73/13/36/628731336.db2.gz IEPVKHHQHLYBPM-INIZCTEOSA-N 0 3 311.809 3.057 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1[O-] ZINC000825133511 628731338 /nfs/dbraw/zinc/73/13/38/628731338.db2.gz IEPVKHHQHLYBPM-INIZCTEOSA-N 0 3 311.809 3.057 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1[O-] ZINC000826791651 628887893 /nfs/dbraw/zinc/88/78/93/628887893.db2.gz YWFUCXVGKMOPJN-ZDUSSCGKSA-N 0 3 312.841 3.017 20 10 DGCDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000827500945 628964620 /nfs/dbraw/zinc/96/46/20/628964620.db2.gz OOHSBQPZEYXRKG-WOVMCDHWSA-N 0 3 311.381 3.100 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1[O-] ZINC000827515448 628966883 /nfs/dbraw/zinc/96/68/83/628966883.db2.gz HVBYKTYMDAICIW-LLVKDONJSA-N 0 3 305.752 3.435 20 10 DGCDHN CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000827750528 628988252 /nfs/dbraw/zinc/98/82/52/628988252.db2.gz IPDSLTVUSLSLKQ-SJLPKXTDSA-N 0 3 321.417 3.002 20 10 DGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCOCCF ZINC000827948045 629006680 /nfs/dbraw/zinc/00/66/80/629006680.db2.gz FSOLFRQBSNGIBL-UHFFFAOYSA-N 0 3 319.376 3.047 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CCc3ccccc3C1)CC2 ZINC000834496409 629717698 /nfs/dbraw/zinc/71/76/98/629717698.db2.gz HMSLHTDFYAVWPU-GOSISDBHSA-N 0 3 308.425 3.027 20 10 DGCDHN CCOC(=O)N[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CC(C)C ZINC000834501999 629718390 /nfs/dbraw/zinc/71/83/90/629718390.db2.gz LRVDSDWYFJKDIA-HUUCEWRRSA-N 0 3 320.433 3.130 20 10 DGCDHN CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834513651 629719893 /nfs/dbraw/zinc/71/98/93/629719893.db2.gz NTTBRTYLUKLJRN-QGZVFWFLSA-N 0 3 324.424 3.309 20 10 DGCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1c1ccccc1 ZINC000834585110 629735200 /nfs/dbraw/zinc/73/52/00/629735200.db2.gz GCTHWKKNVCXXMM-IRXDYDNUSA-N 0 3 322.408 3.165 20 10 DGCDHN COc1ccc(O[C@@H](C)C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834606213 629738824 /nfs/dbraw/zinc/73/88/24/629738824.db2.gz GGJZAUQNXZPYRR-GUYCJALGSA-N 0 3 313.397 3.445 20 10 DGCDHN O=C(CC1CCCCC1)NCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834645783 629746790 /nfs/dbraw/zinc/74/67/90/629746790.db2.gz MDKUFSRGXVMWKP-MRXNPFEDSA-N 0 3 316.445 3.056 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(-n2ccnn2)cc1 ZINC000834694167 629759164 /nfs/dbraw/zinc/75/91/64/629759164.db2.gz UWEFRJLHFYNUPF-DYVFJYSZSA-N 0 3 320.396 3.311 20 10 DGCDHN CN1CCN(c2ccc(N[C@@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000834740873 629771610 /nfs/dbraw/zinc/77/16/10/629771610.db2.gz ABWXREJQOKOMNM-GOSISDBHSA-N 0 3 323.440 3.243 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)CC2 ZINC000834802979 629782186 /nfs/dbraw/zinc/78/21/86/629782186.db2.gz HPUAYENINLTAJJ-GDBMZVCRSA-N 0 3 317.816 3.399 20 10 DGCDHN COCC(COC)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834891664 629799468 /nfs/dbraw/zinc/79/94/68/629799468.db2.gz PUCVHBJUZMUOIZ-INIZCTEOSA-N 0 3 320.477 3.379 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c([O-])c1 ZINC000834899401 629802120 /nfs/dbraw/zinc/80/21/20/629802120.db2.gz PRFQABIWEDXVNR-SUNYJGFJSA-N 0 3 315.417 3.005 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c1[O-] ZINC000835059014 629839784 /nfs/dbraw/zinc/83/97/84/629839784.db2.gz FAKYXSRMUWQCSK-NSHDSACASA-N 0 3 313.825 3.349 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000840892591 630373852 /nfs/dbraw/zinc/37/38/52/630373852.db2.gz BKOGXSSGPWBYGV-DAYGRLMNSA-N 0 3 312.461 3.484 20 10 DGCDHN CN(C)c1ccc(CN2CCC(OC3CCC3)CC2)cc1F ZINC000841888093 630473082 /nfs/dbraw/zinc/47/30/82/630473082.db2.gz DQETZDUAEKVVRS-UHFFFAOYSA-N 0 3 306.425 3.425 20 10 DGCDHN C[C@H](N[C@@H](CCO)c1ccccc1F)c1cc(F)ccc1O ZINC000842922353 630593574 /nfs/dbraw/zinc/59/35/74/630593574.db2.gz BNFVLKKGPBWXOO-ZBEGNZNMSA-N 0 3 307.340 3.445 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CO1 ZINC000843432179 630658057 /nfs/dbraw/zinc/65/80/57/630658057.db2.gz IRVGHLPEKCGYSC-YOEHRIQHSA-N 0 3 313.397 3.238 20 10 DGCDHN CCOc1cccc(CN2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000843435173 630658678 /nfs/dbraw/zinc/65/86/78/630658678.db2.gz QRTKNBHOPSKPOC-AWEZNQCLSA-N 0 3 305.418 3.324 20 10 DGCDHN CCOc1ccc(CN2C[C@@H](C)OC3(CCCC3)C2)c(O)c1 ZINC000843435919 630658945 /nfs/dbraw/zinc/65/89/45/630658945.db2.gz ZQWYVIHWQJUWJK-CQSZACIVSA-N 0 3 305.418 3.324 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c([O-])c1 ZINC000843435919 630658947 /nfs/dbraw/zinc/65/89/47/630658947.db2.gz ZQWYVIHWQJUWJK-CQSZACIVSA-N 0 3 305.418 3.324 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c([O-])c1 ZINC000843435919 630658952 /nfs/dbraw/zinc/65/89/52/630658952.db2.gz ZQWYVIHWQJUWJK-CQSZACIVSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CNc3ccccc3C2)c1[O-] ZINC000844904849 630973128 /nfs/dbraw/zinc/97/31/28/630973128.db2.gz CYJNRIZPPCPTAQ-AWEZNQCLSA-N 0 3 318.804 3.181 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cn(C(C)C)nc2C)c1 ZINC000845972674 631204318 /nfs/dbraw/zinc/20/43/18/631204318.db2.gz SKHWQVYDCBMCBY-ZDUSSCGKSA-N 0 3 303.406 3.337 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c([O-])c1 ZINC000846042692 631207694 /nfs/dbraw/zinc/20/76/94/631207694.db2.gz NPKRUABXOSDDFC-SFHVURJKSA-N 0 3 305.418 3.086 20 10 DGCDHN COCC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccco1 ZINC000846166495 631213210 /nfs/dbraw/zinc/21/32/10/631213210.db2.gz XWJFIUSIAHFIQQ-OCCSQVGLSA-N 0 3 305.374 3.422 20 10 DGCDHN COCC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccco1 ZINC000846166496 631213317 /nfs/dbraw/zinc/21/33/17/631213317.db2.gz XWJFIUSIAHFIQQ-TZMCWYRMSA-N 0 3 305.374 3.422 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC(C)C)c1[O-] ZINC000848515259 631672803 /nfs/dbraw/zinc/67/28/03/631672803.db2.gz WWFKCYZCENFNEG-VIFPVBQESA-N 0 3 302.212 3.470 20 10 DGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2CC2)c1[O-] ZINC000848518743 631674661 /nfs/dbraw/zinc/67/46/61/631674661.db2.gz NKWRACAAELORIH-MRVPVSSYSA-N 0 3 300.196 3.224 20 10 DGCDHN COc1ccc(CN[C@H]2CCc3ccccc3NC2=O)cc1C ZINC000848561576 631694116 /nfs/dbraw/zinc/69/41/16/631694116.db2.gz ZIMNIBGXOSDSEO-KRWDZBQOSA-N 0 3 310.397 3.047 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c([O-])c1 ZINC000848576287 631701443 /nfs/dbraw/zinc/70/14/43/631701443.db2.gz LWZSMGIFUPIOHB-MRXNPFEDSA-N 0 3 305.418 3.372 20 10 DGCDHN CCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000848915836 631785212 /nfs/dbraw/zinc/78/52/12/631785212.db2.gz MKJKXHXPXCVEFO-RCCFBDPRSA-N 0 3 303.446 3.470 20 10 DGCDHN CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000848915836 631785221 /nfs/dbraw/zinc/78/52/21/631785221.db2.gz MKJKXHXPXCVEFO-RCCFBDPRSA-N 0 3 303.446 3.470 20 10 DGCDHN CCc1cccc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c1[O-] ZINC000848919454 631786633 /nfs/dbraw/zinc/78/66/33/631786633.db2.gz LKUVVYFOLFYVAV-GOSISDBHSA-N 0 3 303.446 3.398 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2ccccc2NC1=O ZINC000848922094 631788583 /nfs/dbraw/zinc/78/85/83/631788583.db2.gz LYJMTGAWYCAWMQ-LJQANCHMSA-N 0 3 323.440 3.104 20 10 DGCDHN Cc1cc(O)c(CNc2ccc([C@@H]3CNCCO3)cc2)cc1C ZINC000849352535 631901857 /nfs/dbraw/zinc/90/18/57/631901857.db2.gz NVWKJFQJNIRPAB-IBGZPJMESA-N 0 3 312.413 3.282 20 10 DGCDHN CC(C)[C@H](O)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000850395843 632138915 /nfs/dbraw/zinc/13/89/15/632138915.db2.gz ZVTYMIKZVGKMPR-UXHICEINSA-N 0 3 311.425 3.469 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c([O-])c1 ZINC000850409752 632143593 /nfs/dbraw/zinc/14/35/93/632143593.db2.gz ZXNLGRYLDVXFFD-QXAKKESOSA-N 0 3 313.372 3.358 20 10 DGCDHN CO[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])[C@H]1CCOC1 ZINC000850484121 632166205 /nfs/dbraw/zinc/16/62/05/632166205.db2.gz CPZZAWJCUAJXPW-TYNCELHUSA-N 0 3 313.825 3.056 20 10 DGCDHN COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2)cc1 ZINC000850489813 632168940 /nfs/dbraw/zinc/16/89/40/632168940.db2.gz XEBZYAHFMNNNNZ-CABCVRRESA-N 0 3 312.413 3.330 20 10 DGCDHN COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)cc1 ZINC000850489815 632169179 /nfs/dbraw/zinc/16/91/79/632169179.db2.gz XEBZYAHFMNNNNZ-GJZGRUSLSA-N 0 3 312.413 3.330 20 10 DGCDHN COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2)cc1 ZINC000850489816 632169421 /nfs/dbraw/zinc/16/94/21/632169421.db2.gz XEBZYAHFMNNNNZ-HUUCEWRRSA-N 0 3 312.413 3.330 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCO[C@H]2CC2(F)F)c2c1c(F)ccc2[O-] ZINC000850521331 632178142 /nfs/dbraw/zinc/17/81/42/632178142.db2.gz RZPLKHXSAKPTGX-QRTLGDNMSA-N 0 3 301.308 3.093 20 10 DGCDHN Cc1cncc(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC000850549452 632189019 /nfs/dbraw/zinc/18/90/19/632189019.db2.gz GSKMGXYLLKVWSZ-IINYFYTJSA-N 0 3 301.365 3.010 20 10 DGCDHN CNC(=O)CC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCCCC1 ZINC000850553951 632190862 /nfs/dbraw/zinc/19/08/62/632190862.db2.gz ABXAUPYXVXSYQL-HNNXBMFYSA-N 0 3 316.445 3.056 20 10 DGCDHN CNC(=O)CC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCCCC1 ZINC000850556636 632192038 /nfs/dbraw/zinc/19/20/38/632192038.db2.gz RRRFNUGZUYUUBV-HNNXBMFYSA-N 0 3 318.461 3.438 20 10 DGCDHN CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccccc1[O-] ZINC000850561057 632194507 /nfs/dbraw/zinc/19/45/07/632194507.db2.gz HXAMYSRPDWNDTP-CRAIPNDOSA-N 0 3 307.434 3.001 20 10 DGCDHN CC[C@H](CC(F)F)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000851713344 632473163 /nfs/dbraw/zinc/47/31/63/632473163.db2.gz BTHHWEBNLRWYBN-CQSZACIVSA-N 0 3 312.404 3.499 20 10 DGCDHN COc1ccc(OCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184903650 660194614 /nfs/dbraw/zinc/19/46/14/660194614.db2.gz UMQNZJBHYDFFTJ-CQSZACIVSA-N 0 3 301.386 3.439 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000185313987 660215097 /nfs/dbraw/zinc/21/50/97/660215097.db2.gz YCNOBGHRYFVWLB-CYBMUJFWSA-N 0 3 308.422 3.218 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(F)ccc1[O-] ZINC000186095331 660266240 /nfs/dbraw/zinc/26/62/40/660266240.db2.gz IBPJDTUOGOCYCO-FIKIJFGZSA-N 0 3 307.390 3.120 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000186095017 660266181 /nfs/dbraw/zinc/26/61/81/660266181.db2.gz QYQJSNFNMIVIEY-ASSNKEHSSA-N 0 3 303.427 3.289 20 10 DGCDHN COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000186752216 660573291 /nfs/dbraw/zinc/57/32/91/660573291.db2.gz QLZDIYUIRKVCDL-KBPBESRZSA-N 0 3 320.433 3.218 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c([O-])c1 ZINC000793385376 661028803 /nfs/dbraw/zinc/02/88/03/661028803.db2.gz AFCWVJZTZKZPII-UHFFFAOYSA-N 0 3 309.369 3.081 20 10 DGCDHN COc1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000793391415 661029537 /nfs/dbraw/zinc/02/95/37/661029537.db2.gz YFAFTVBVXCZLEG-XQRVVYSFSA-N 0 3 314.341 3.112 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000793607178 661049528 /nfs/dbraw/zinc/04/95/28/661049528.db2.gz PGGFBOIQXJOBDC-UHFFFAOYSA-N 0 3 318.367 3.383 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000793607178 661049529 /nfs/dbraw/zinc/04/95/29/661049529.db2.gz PGGFBOIQXJOBDC-UHFFFAOYSA-N 0 3 318.367 3.383 20 10 DGCDHN Cc1ccnc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)c1 ZINC000164520974 655979008 /nfs/dbraw/zinc/97/90/08/655979008.db2.gz CMIHECIMGPAXGH-UHFFFAOYSA-N 0 3 311.429 3.035 20 10 DGCDHN CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180286862 656092180 /nfs/dbraw/zinc/09/21/80/656092180.db2.gz DOIWSQBDDHZYGF-CYBMUJFWSA-N 0 3 309.381 3.087 20 10 DGCDHN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180286862 656092183 /nfs/dbraw/zinc/09/21/83/656092183.db2.gz DOIWSQBDDHZYGF-CYBMUJFWSA-N 0 3 309.381 3.087 20 10 DGCDHN Cc1cc(O)c(CN2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000006998422 656490386 /nfs/dbraw/zinc/49/03/86/656490386.db2.gz ZXTNAJKUDUUYMR-UHFFFAOYSA-N 0 3 314.404 3.470 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000724912007 656530065 /nfs/dbraw/zinc/53/00/65/656530065.db2.gz GWYOWXFCOZZJSA-KGLIPLIRSA-N 0 3 320.433 3.361 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3C[C@@H](C)O)c2c1 ZINC000305274158 657698861 /nfs/dbraw/zinc/69/88/61/657698861.db2.gz ZRMUCZXKQQXOJR-UKRRQHHQSA-N 0 3 315.413 3.289 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3C[C@@H](C)O)c2c1 ZINC000305274158 657698871 /nfs/dbraw/zinc/69/88/71/657698871.db2.gz ZRMUCZXKQQXOJR-UKRRQHHQSA-N 0 3 315.413 3.289 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(OC)CC3)c2c1 ZINC000054358443 657941646 /nfs/dbraw/zinc/94/16/46/657941646.db2.gz ZARUDWGBINSMRX-UHFFFAOYSA-N 0 3 301.386 3.165 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1[O-] ZINC000305789769 658046381 /nfs/dbraw/zinc/04/63/81/658046381.db2.gz ZNORINLQPLTBOS-HOCLYGCPSA-N 0 3 307.340 3.445 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000128491526 658747990 /nfs/dbraw/zinc/74/79/90/658747990.db2.gz IDGRFABPMLGGFB-UHFFFAOYSA-N 0 3 314.429 3.402 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCO[C@@H](C)[C@H]3C)c2c1 ZINC000164144393 658919506 /nfs/dbraw/zinc/91/95/06/658919506.db2.gz UEPZTZFAPDKDGX-OLZOCXBDSA-N 0 3 301.386 3.163 20 10 DGCDHN CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000227440927 659154952 /nfs/dbraw/zinc/15/49/52/659154952.db2.gz QRZMUUVFQMFKII-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC000228535421 659194697 /nfs/dbraw/zinc/19/46/97/659194697.db2.gz KPPIOEMCUDJPDM-MRCXROJRSA-N 0 3 315.244 3.258 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC(C)CC1 ZINC000174373019 659429517 /nfs/dbraw/zinc/42/95/17/659429517.db2.gz OJUVKWYGHIBPDQ-MRXNPFEDSA-N 0 3 318.461 3.251 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC(C)CC1 ZINC000174373019 659429518 /nfs/dbraw/zinc/42/95/18/659429518.db2.gz OJUVKWYGHIBPDQ-MRXNPFEDSA-N 0 3 318.461 3.251 20 10 DGCDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc(C)c1O ZINC000179741920 659940417 /nfs/dbraw/zinc/94/04/17/659940417.db2.gz UXHHNXAEHJJWSC-UHFFFAOYSA-N 0 3 310.397 3.221 20 10 DGCDHN C[C@H](NCc1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000068478504 659954116 /nfs/dbraw/zinc/95/41/16/659954116.db2.gz CCZSYXMKTHKQTM-AWEZNQCLSA-N 0 3 302.443 3.436 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1 ZINC000068973684 659970882 /nfs/dbraw/zinc/97/08/82/659970882.db2.gz TVIBVNHXQOFWAS-SFHVURJKSA-N 0 3 303.377 3.477 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1 ZINC000068973684 659970883 /nfs/dbraw/zinc/97/08/83/659970883.db2.gz TVIBVNHXQOFWAS-SFHVURJKSA-N 0 3 303.377 3.477 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(C#N)ccc2OC)c1 ZINC000182357427 660045790 /nfs/dbraw/zinc/04/57/90/660045790.db2.gz NHKDXNFSIQWLGI-GFCCVEGCSA-N 0 3 312.369 3.132 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CCC1(O)CCC1 ZINC000930349965 661391720 /nfs/dbraw/zinc/39/17/20/661391720.db2.gz CRTKZTQZVQKLMP-KRWDZBQOSA-N 0 3 321.461 3.050 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CCC1(O)CCC1 ZINC000930349965 661391722 /nfs/dbraw/zinc/39/17/22/661391722.db2.gz CRTKZTQZVQKLMP-KRWDZBQOSA-N 0 3 321.461 3.050 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](O)CCOCc1ccccc1)c1ccccc1[O-] ZINC000931555592 661487967 /nfs/dbraw/zinc/48/79/67/661487967.db2.gz YXPCELQOIFNYBM-WBVHZDCISA-N 0 3 315.413 3.011 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)c1ccccc1[O-] ZINC000155623642 661849800 /nfs/dbraw/zinc/84/98/00/661849800.db2.gz QLXNUTQRWNHGIR-GOEBONIOSA-N 0 3 313.397 3.445 20 10 DGCDHN COc1cc(O)c(CN(C)Cc2ccc(F)cc2)cc1OC ZINC000159487662 661889036 /nfs/dbraw/zinc/88/90/36/661889036.db2.gz TVMYEPNTOVZVHE-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000189999032 662001309 /nfs/dbraw/zinc/00/13/09/662001309.db2.gz SHTGTISOAGFANH-TZMCWYRMSA-N 0 3 308.422 3.346 20 10 DGCDHN COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000186764952 685113648 /nfs/dbraw/zinc/11/36/48/685113648.db2.gz YNCCISSTZGQUHU-UONOGXRCSA-N 0 3 320.433 3.218 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000382452239 685163294 /nfs/dbraw/zinc/16/32/94/685163294.db2.gz GIPKYDQFHHVTMQ-DZGCQCFKSA-N 0 3 320.433 3.175 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@H]2C[C@H](OC(C)(C)C)C2)cc1F ZINC001620988644 1192777697 /nfs/dbraw/zinc/77/76/97/1192777697.db2.gz SKEFXNMSFPWGRT-JOCQHMNTSA-N 0 3 312.404 3.467 20 10 DGCDHN CC[C@H](NCc1c(C)c2ccccc2n1C)[C@@H](O)C(F)(F)F ZINC001178369984 1177794236 /nfs/dbraw/zinc/79/42/36/1177794236.db2.gz SEHMJZDBWHIEHH-SWLSCSKDSA-N 0 3 314.351 3.278 20 10 DGCDHN CN(CC(=O)NCc1c(O)ccc2ccccc21)CC(C)(C)C ZINC001456310134 1182409545 /nfs/dbraw/zinc/40/95/45/1182409545.db2.gz OTSQPWHSJDZTNH-UHFFFAOYSA-N 0 3 314.429 3.140 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1ccccc1[O-] ZINC001460640937 1182703292 /nfs/dbraw/zinc/70/32/92/1182703292.db2.gz VUJIUMBDFGAAIH-LLVKDONJSA-N 0 3 304.777 3.335 20 10 DGCDHN CO[C@@]1(C)C[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC001461649826 1182837827 /nfs/dbraw/zinc/83/78/27/1182837827.db2.gz XETYBFWPJWJOMI-KGLIPLIRSA-N 0 3 302.340 3.038 20 10 DGCDHN COc1cc(C)c(CNCc2nccc3c2CCCC3)c(O)c1 ZINC001462580622 1182971359 /nfs/dbraw/zinc/97/13/59/1182971359.db2.gz UDXRLHIWXKOWEO-UHFFFAOYSA-N 0 3 312.413 3.273 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cnc3ccccn23)cc1 ZINC001473940145 1183833615 /nfs/dbraw/zinc/83/36/15/1183833615.db2.gz QFIDENMPDKHKHN-UHFFFAOYSA-N 0 3 308.429 3.470 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001474313872 1183902626 /nfs/dbraw/zinc/90/26/26/1183902626.db2.gz GNSSRVJJPLZXSI-AWEZNQCLSA-N 0 3 308.853 3.353 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC([C@H]3CCCO3)CC2)c([O-])c1 ZINC001474454397 1183924915 /nfs/dbraw/zinc/92/49/15/1183924915.db2.gz YPGNIGGTSRUARC-GOSISDBHSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC2(c3ccccn3)CCC2)c([O-])c1 ZINC001474509872 1183932924 /nfs/dbraw/zinc/93/29/24/1183932924.db2.gz YGTKAKVUCLOVDO-UHFFFAOYSA-N 0 3 312.413 3.316 20 10 DGCDHN CCC[C@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539235060 1188183465 /nfs/dbraw/zinc/18/34/65/1188183465.db2.gz JXWCPMSPSRYDJQ-YJBOKZPZSA-N 0 3 319.493 3.298 20 10 DGCDHN CCC[C@@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539235046 1188183511 /nfs/dbraw/zinc/18/35/11/1188183511.db2.gz JXWCPMSPSRYDJQ-CRAIPNDOSA-N 0 3 319.493 3.298 20 10 DGCDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001560890702 1189401177 /nfs/dbraw/zinc/40/11/77/1189401177.db2.gz ONENTSLGQRSSKN-OCCSQVGLSA-N 0 3 323.408 3.331 20 10 DGCDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001560890702 1189401180 /nfs/dbraw/zinc/40/11/80/1189401180.db2.gz ONENTSLGQRSSKN-OCCSQVGLSA-N 0 3 323.408 3.331 20 10 DGCDHN COC(=O)/C=C\c1ccc(CN[C@H](C)c2ccccc2O)o1 ZINC001560971482 1189412444 /nfs/dbraw/zinc/41/24/44/1189412444.db2.gz GRRJMBRWORUZJH-ZWLSGLHFSA-N 0 3 301.342 3.022 20 10 DGCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(C)C ZINC001621122154 1193806169 /nfs/dbraw/zinc/80/61/69/1193806169.db2.gz UCTFKECKKBKKLU-IAGOWNOFSA-N 0 3 307.434 3.345 20 10 DGCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(C)C ZINC001621122154 1193806171 /nfs/dbraw/zinc/80/61/71/1193806171.db2.gz UCTFKECKKBKKLU-IAGOWNOFSA-N 0 3 307.434 3.345 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c([O-])c1 ZINC001621203122 1193816853 /nfs/dbraw/zinc/81/68/53/1193816853.db2.gz ZXPOPZNZTVWLTH-KRWDZBQOSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2C2CCOCC2)c([O-])c1 ZINC001621203122 1193816858 /nfs/dbraw/zinc/81/68/58/1193816858.db2.gz ZXPOPZNZTVWLTH-KRWDZBQOSA-N 0 3 305.418 3.100 20 10 DGCDHN C[C@H]1CC[C@](CO)(NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC001651685038 1195496830 /nfs/dbraw/zinc/49/68/30/1195496830.db2.gz SYVKSAAPKZUASP-YCRPNKLZSA-N 0 3 323.436 3.496 20 10 DGCDHN CC(C)c1ccc(O)c(CN2CCCC[C@H]2C2OCCO2)c1 ZINC001651731037 1195503018 /nfs/dbraw/zinc/50/30/18/1195503018.db2.gz MVCPJCVPVBQFSZ-INIZCTEOSA-N 0 3 305.418 3.243 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC(C)(C)CO2)c1[O-] ZINC001653025449 1195681576 /nfs/dbraw/zinc/68/15/76/1195681576.db2.gz AWZNHJZZFMLKBL-CYBMUJFWSA-N 0 3 313.825 3.349 20 10 DGCDHN CO[C@@H](CNCc1c(C)c2ccccc2n1C)C(F)(F)F ZINC001657187963 1196117210 /nfs/dbraw/zinc/11/72/10/1196117210.db2.gz QTXFAJVBJQWALV-AWEZNQCLSA-N 0 3 300.324 3.154 20 10 DGCDHN CC(C)c1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC001657921110 1196193760 /nfs/dbraw/zinc/19/37/60/1196193760.db2.gz PDBDKSHZDRKEGH-KXBFYZLASA-N 0 3 319.445 3.286 20 10 DGCDHN CO[C@@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001658102532 1196212146 /nfs/dbraw/zinc/21/21/46/1196212146.db2.gz RNTSQRAEJWNFIR-JKSUJKDBSA-N 0 3 310.388 3.078 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001658414088 1196253427 /nfs/dbraw/zinc/25/34/27/1196253427.db2.gz DFHDROZKYDDHKA-UHFFFAOYSA-N 0 3 311.259 3.143 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCC[C@H]2CCCCO2)c1[O-] ZINC001658753338 1196296814 /nfs/dbraw/zinc/29/68/14/1196296814.db2.gz RCGGYZFYPCBYJQ-CQSZACIVSA-N 0 3 313.825 3.493 20 10 DGCDHN COc1ccc(CNCc2cc(Cl)cc3c2OCC3)c(O)c1 ZINC001658993056 1196329634 /nfs/dbraw/zinc/32/96/34/1196329634.db2.gz YTWSVVMNBPMAET-UHFFFAOYSA-N 0 3 319.788 3.279 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c([O-])c1 ZINC001658993056 1196329641 /nfs/dbraw/zinc/32/96/41/1196329641.db2.gz YTWSVVMNBPMAET-UHFFFAOYSA-N 0 3 319.788 3.279 20 10 DGCDHN CCC[N@H+](CCN1CCCC1)Cc1c([O-])ccc(Cl)c1F ZINC001659175655 1196355588 /nfs/dbraw/zinc/35/55/88/1196355588.db2.gz OHBOABSHUBHCQH-UHFFFAOYSA-N 0 3 314.832 3.493 20 10 DGCDHN CCC[N@@H+](CCN1CCCC1)Cc1c([O-])ccc(Cl)c1F ZINC001659175655 1196355592 /nfs/dbraw/zinc/35/55/92/1196355592.db2.gz OHBOABSHUBHCQH-UHFFFAOYSA-N 0 3 314.832 3.493 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cc(F)ccc1F ZINC001659815502 1196417703 /nfs/dbraw/zinc/41/77/03/1196417703.db2.gz LCMVRVLTQCLJGL-QWRGUYRKSA-N 0 3 320.339 3.348 20 10 DGCDHN COC(=O)[C@H](C[NH2+]Cc1ccc(C)cc1[O-])CC1CCCC1 ZINC001660178724 1196454391 /nfs/dbraw/zinc/45/43/91/1196454391.db2.gz SIINVZSRUHPHTR-INIZCTEOSA-N 0 3 305.418 3.160 20 10 DGCDHN CCN(C)c1ccc(CN2CCC(C(=O)OC(C)C)CC2)cc1 ZINC001660224870 1196459243 /nfs/dbraw/zinc/45/92/43/1196459243.db2.gz VNYYXEPDYWRKAO-UHFFFAOYSA-N 0 3 318.461 3.306 20 10 DGCDHN COC[C@H](NCc1cc(C)cc(OC)c1O)c1ccc(F)cc1 ZINC001665890809 1197212013 /nfs/dbraw/zinc/21/20/13/1197212013.db2.gz OOAOLCHQKOFOIB-INIZCTEOSA-N 0 3 319.376 3.326 20 10 DGCDHN C[C@@](CO)(NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000322491462 1197687867 /nfs/dbraw/zinc/68/78/67/1197687867.db2.gz OVEMVZLIEBWLLH-FQEVSTJZSA-N 0 3 310.441 3.284 20 10 DGCDHN CN1CCCc2cc(CN3CCc4c(N)cccc4C3)ccc21 ZINC000320929198 1199849981 /nfs/dbraw/zinc/84/99/81/1199849981.db2.gz DRLRGGYKRGWKEF-UHFFFAOYSA-N 0 3 307.441 3.210 20 10 DGCDHN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)CNCC2 ZINC000120981934 1200186949 /nfs/dbraw/zinc/18/69/49/1200186949.db2.gz WEGNAAXIPWYEQH-UHFFFAOYSA-N 0 3 321.424 3.185 20 10 DGCDHN CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000165048380 1203731091 /nfs/dbraw/zinc/73/10/91/1203731091.db2.gz YNCATTKFEWRDBZ-OAHLLOKOSA-N 0 3 313.397 3.463 20 10 DGCDHN CCOC(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000165048380 1203731092 /nfs/dbraw/zinc/73/10/92/1203731092.db2.gz YNCATTKFEWRDBZ-OAHLLOKOSA-N 0 3 313.397 3.463 20 10 DGCDHN CCC(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134681971 1083322101 /nfs/dbraw/zinc/32/21/01/1083322101.db2.gz OYSJPTNYHNYDIZ-KRWDZBQOSA-N 0 3 319.493 3.298 20 10 DGCDHN Cc1ccc(C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)c([O-])c1 ZINC001182666669 1083770334 /nfs/dbraw/zinc/77/03/34/1083770334.db2.gz PWFNMYOYGCVARC-UHFFFAOYSA-N 0 3 321.323 3.354 20 10 DGCDHN CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203561029 1083903018 /nfs/dbraw/zinc/90/30/18/1083903018.db2.gz KPSCWMUHYXKJCW-MRXNPFEDSA-N 0 3 317.429 3.338 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCCOc2cccc(F)c2)c([O-])c1 ZINC001184206263 1084124911 /nfs/dbraw/zinc/12/49/11/1084124911.db2.gz KCQLASQABNKXEV-UHFFFAOYSA-N 0 3 319.376 3.407 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC001203555748 1090598198 /nfs/dbraw/zinc/59/81/98/1090598198.db2.gz GZWRSWOBXHJRMF-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC001203555748 1090598205 /nfs/dbraw/zinc/59/82/05/1090598205.db2.gz GZWRSWOBXHJRMF-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC001203555707 1090754476 /nfs/dbraw/zinc/75/44/76/1090754476.db2.gz CQFIGTMSOJSVEL-UKRRQHHQSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC001203555707 1090754479 /nfs/dbraw/zinc/75/44/79/1090754479.db2.gz CQFIGTMSOJSVEL-UKRRQHHQSA-N 0 3 320.433 3.270 20 10 DGCDHN Cc1ccc2nc(C3CC[NH+](Cc4ccccc4[O-])CC3)nn2c1 ZINC001203552740 1090754490 /nfs/dbraw/zinc/75/44/90/1090754490.db2.gz RTYXGIFYUVKLSF-UHFFFAOYSA-N 0 3 322.412 3.123 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)c([O-])c1 ZINC001203628903 1090769428 /nfs/dbraw/zinc/76/94/28/1090769428.db2.gz KGCUZZVDKBWRKA-KRWDZBQOSA-N 0 3 313.397 3.363 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3C)C2)c([O-])c1 ZINC001203628903 1090769430 /nfs/dbraw/zinc/76/94/30/1090769430.db2.gz KGCUZZVDKBWRKA-KRWDZBQOSA-N 0 3 313.397 3.363 20 10 DGCDHN CN(C)c1ccc(CN2CCC(Oc3ccncc3)CC2)cc1 ZINC001203931194 1090843356 /nfs/dbraw/zinc/84/33/56/1090843356.db2.gz ODBSAEKKEMYYGQ-UHFFFAOYSA-N 0 3 311.429 3.191 20 10 DGCDHN Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204274663 1090938333 /nfs/dbraw/zinc/93/83/33/1090938333.db2.gz FGPVNSFYTNHMTD-KRWDZBQOSA-N 0 3 313.397 3.450 20 10 DGCDHN Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204274663 1090938336 /nfs/dbraw/zinc/93/83/36/1090938336.db2.gz FGPVNSFYTNHMTD-KRWDZBQOSA-N 0 3 313.397 3.450 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001204279003 1090938945 /nfs/dbraw/zinc/93/89/45/1090938945.db2.gz NQVRLDDATCZGEW-GOSISDBHSA-N 0 3 313.397 3.279 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001204279003 1090938948 /nfs/dbraw/zinc/93/89/48/1090938948.db2.gz NQVRLDDATCZGEW-GOSISDBHSA-N 0 3 313.397 3.279 20 10 DGCDHN CN(C)c1cc(F)c(CN(CCCO)CC(C)(C)C)cc1F ZINC001204460982 1090974831 /nfs/dbraw/zinc/97/48/31/1090974831.db2.gz PGHFOQWTUGUJRL-UHFFFAOYSA-N 0 3 314.420 3.261 20 10 DGCDHN CN1CCCc2cc(CN3CC[C@@]4(C3)CC(F)(F)CO4)ccc21 ZINC001138356291 1091150592 /nfs/dbraw/zinc/15/05/92/1091150592.db2.gz JPMCPTARSDCEFM-KRWDZBQOSA-N 0 3 322.399 3.069 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCC2CCC(OC)CC2)c([O-])c1 ZINC001205277676 1091160098 /nfs/dbraw/zinc/16/00/98/1091160098.db2.gz SQBOUDOJIHSDJK-UHFFFAOYSA-N 0 3 307.434 3.394 20 10 DGCDHN C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC001205317339 1091181792 /nfs/dbraw/zinc/18/17/92/1091181792.db2.gz OCKDREFKXYTYBG-UWVGGRQHSA-N 0 3 303.233 3.116 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCOCC3(CCCC3)C2)c([O-])c1 ZINC001205453728 1091226652 /nfs/dbraw/zinc/22/66/52/1091226652.db2.gz OASJBBNVUHNWHD-UHFFFAOYSA-N 0 3 305.418 3.102 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCOCC3(CCCC3)C2)c([O-])c1 ZINC001205453728 1091226660 /nfs/dbraw/zinc/22/66/60/1091226660.db2.gz OASJBBNVUHNWHD-UHFFFAOYSA-N 0 3 305.418 3.102 20 10 DGCDHN Oc1cccc2c1CN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC001138885595 1091367081 /nfs/dbraw/zinc/36/70/81/1091367081.db2.gz UQLYJSWUPXMJJX-UHFFFAOYSA-N 0 3 323.371 3.480 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC001138885595 1091367089 /nfs/dbraw/zinc/36/70/89/1091367089.db2.gz UQLYJSWUPXMJJX-UHFFFAOYSA-N 0 3 323.371 3.480 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC001138885595 1091367102 /nfs/dbraw/zinc/36/71/02/1091367102.db2.gz UQLYJSWUPXMJJX-UHFFFAOYSA-N 0 3 323.371 3.480 20 10 DGCDHN CC(C)[C@@H](O)C(C)(C)CNCc1cc(F)c(N(C)C)cc1F ZINC001118851773 1091411574 /nfs/dbraw/zinc/41/15/74/1091411574.db2.gz DJJBTCXBESFDIS-MRXNPFEDSA-N 0 3 314.420 3.164 20 10 DGCDHN CCOC(=O)C1(C)CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139673583 1091639429 /nfs/dbraw/zinc/63/94/29/1091639429.db2.gz USLJCAYGGZOESF-UHFFFAOYSA-N 0 3 318.461 3.226 20 10 DGCDHN Cc1cc(O)cc(C)c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001139716429 1091651438 /nfs/dbraw/zinc/65/14/38/1091651438.db2.gz WUOVTOBQHQKCGT-UHFFFAOYSA-N 0 3 313.397 3.369 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001140056483 1091753069 /nfs/dbraw/zinc/75/30/69/1091753069.db2.gz YSSWXWXSWBTNQO-UHFFFAOYSA-N 0 3 318.367 3.383 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001140056483 1091753073 /nfs/dbraw/zinc/75/30/73/1091753073.db2.gz YSSWXWXSWBTNQO-UHFFFAOYSA-N 0 3 318.367 3.383 20 10 DGCDHN Cc1ccc(C)c(CN2CCN3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001140181577 1091793310 /nfs/dbraw/zinc/79/33/10/1091793310.db2.gz SUXSPNGVANDWFC-SFHVURJKSA-N 0 3 322.408 3.022 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(c3cccc(F)c3)CC2)c1 ZINC001140624460 1091936549 /nfs/dbraw/zinc/93/65/49/1091936549.db2.gz XSGYBQMDMAVQQF-UHFFFAOYSA-N 0 3 300.377 3.162 20 10 DGCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(CC2)CC1 ZINC001140659975 1091948941 /nfs/dbraw/zinc/94/89/41/1091948941.db2.gz BBMJPLSGKMUCSW-UHFFFAOYSA-N 0 3 304.409 3.038 20 10 DGCDHN [O-]c1c(F)cccc1C[N@@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001276537741 1091999370 /nfs/dbraw/zinc/99/93/70/1091999370.db2.gz MZDNHCLAKSNLIK-UHFFFAOYSA-N 0 3 318.436 3.372 20 10 DGCDHN [O-]c1c(F)cccc1C[N@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001276537741 1091999376 /nfs/dbraw/zinc/99/93/76/1091999376.db2.gz MZDNHCLAKSNLIK-UHFFFAOYSA-N 0 3 318.436 3.372 20 10 DGCDHN [O-]c1c(F)cccc1CN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276537741 1091999387 /nfs/dbraw/zinc/99/93/87/1091999387.db2.gz MZDNHCLAKSNLIK-UHFFFAOYSA-N 0 3 318.436 3.372 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001140921760 1092062493 /nfs/dbraw/zinc/06/24/93/1092062493.db2.gz OXHDJEULWBTTTL-PBHICJAKSA-N 0 3 308.853 3.407 20 10 DGCDHN CN(C)c1ccc(CN2CCN3CCCC[C@H]3C2)c(Cl)c1 ZINC001140923452 1092064195 /nfs/dbraw/zinc/06/41/95/1092064195.db2.gz BAKOWRBAMVQNCF-INIZCTEOSA-N 0 3 307.869 3.076 20 10 DGCDHN Cc1ccc(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140948284 1092075131 /nfs/dbraw/zinc/07/51/31/1092075131.db2.gz BMZHBIBYEROMMR-AWEZNQCLSA-N 0 3 307.390 3.227 20 10 DGCDHN COC(CN(Cc1ccccc1)Cc1ccc(C)cc1O)OC ZINC001140948122 1092075554 /nfs/dbraw/zinc/07/55/54/1092075554.db2.gz UFSIJHXEXXLZHR-UHFFFAOYSA-N 0 3 315.413 3.322 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c([O-])c1 ZINC001140948236 1092075905 /nfs/dbraw/zinc/07/59/05/1092075905.db2.gz ZBTKJOHCUJINLA-SWLSCSKDSA-N 0 3 317.351 3.226 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c([O-])c1 ZINC001140948236 1092075917 /nfs/dbraw/zinc/07/59/17/1092075917.db2.gz ZBTKJOHCUJINLA-SWLSCSKDSA-N 0 3 317.351 3.226 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c([O-])c1 ZINC001140948235 1092076033 /nfs/dbraw/zinc/07/60/33/1092076033.db2.gz ZBTKJOHCUJINLA-IUODEOHRSA-N 0 3 317.351 3.226 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c([O-])c1 ZINC001140948235 1092076043 /nfs/dbraw/zinc/07/60/43/1092076043.db2.gz ZBTKJOHCUJINLA-IUODEOHRSA-N 0 3 317.351 3.226 20 10 DGCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140952390 1092077236 /nfs/dbraw/zinc/07/72/36/1092077236.db2.gz PXGJBJUISWOYLX-LPHOPBHVSA-N 0 3 319.445 3.108 20 10 DGCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140952390 1092077243 /nfs/dbraw/zinc/07/72/43/1092077243.db2.gz PXGJBJUISWOYLX-LPHOPBHVSA-N 0 3 319.445 3.108 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001140950206 1092078199 /nfs/dbraw/zinc/07/81/99/1092078199.db2.gz VJLUTIKGGXHFRY-KRWDZBQOSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001140950206 1092078205 /nfs/dbraw/zinc/07/82/05/1092078205.db2.gz VJLUTIKGGXHFRY-KRWDZBQOSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1ccc(CN2CCN(c3cccc(F)c3)CC2)c(O)c1 ZINC001140954345 1092079204 /nfs/dbraw/zinc/07/92/04/1092079204.db2.gz QRCUEMXNTMBCSF-UHFFFAOYSA-N 0 3 300.377 3.162 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140958149 1092082630 /nfs/dbraw/zinc/08/26/30/1092082630.db2.gz SNZOBTVJSOWMJA-CQSZACIVSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140958149 1092082637 /nfs/dbraw/zinc/08/26/37/1092082637.db2.gz SNZOBTVJSOWMJA-CQSZACIVSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140958148 1092082663 /nfs/dbraw/zinc/08/26/63/1092082663.db2.gz SNZOBTVJSOWMJA-AWEZNQCLSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140958148 1092082673 /nfs/dbraw/zinc/08/26/73/1092082673.db2.gz SNZOBTVJSOWMJA-AWEZNQCLSA-N 0 3 305.418 3.254 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@H]2c2ccncc2)c(OC)c1 ZINC001141028678 1092111212 /nfs/dbraw/zinc/11/12/12/1092111212.db2.gz ZOGZNIZJQIMTRZ-INIZCTEOSA-N 0 3 314.385 3.142 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c(OC)c1 ZINC001141031303 1092112733 /nfs/dbraw/zinc/11/27/33/1092112733.db2.gz CEXLGLPUNSKEGS-LLVKDONJSA-N 0 3 315.360 3.277 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c(OC)c1 ZINC001141031303 1092112737 /nfs/dbraw/zinc/11/27/37/1092112737.db2.gz CEXLGLPUNSKEGS-LLVKDONJSA-N 0 3 315.360 3.277 20 10 DGCDHN C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+](C)Cc1ccccc1[O-] ZINC001208228441 1092284996 /nfs/dbraw/zinc/28/49/96/1092284996.db2.gz ZTZOQVQEFUFPNW-AWEZNQCLSA-N 0 3 313.397 3.432 20 10 DGCDHN C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](C)Cc1ccccc1[O-] ZINC001208228441 1092285000 /nfs/dbraw/zinc/28/50/00/1092285000.db2.gz ZTZOQVQEFUFPNW-AWEZNQCLSA-N 0 3 313.397 3.432 20 10 DGCDHN CC(C)Oc1ncccc1CC[N@H+](C)Cc1ccccc1[O-] ZINC001208800125 1092515032 /nfs/dbraw/zinc/51/50/32/1092515032.db2.gz IIJCXCQDGVGCBF-UHFFFAOYSA-N 0 3 300.402 3.249 20 10 DGCDHN CC(C)Oc1ncccc1CC[N@@H+](C)Cc1ccccc1[O-] ZINC001208800125 1092515044 /nfs/dbraw/zinc/51/50/44/1092515044.db2.gz IIJCXCQDGVGCBF-UHFFFAOYSA-N 0 3 300.402 3.249 20 10 DGCDHN CN1CCCc2cc(CNCc3ccc(C#N)c(F)c3)ccc21 ZINC000404578493 1094261738 /nfs/dbraw/zinc/26/17/38/1094261738.db2.gz VGKVWQBVMVYOAQ-UHFFFAOYSA-N 0 3 309.388 3.370 20 10 DGCDHN CCC/C(C)=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882832 1094323662 /nfs/dbraw/zinc/32/36/62/1094323662.db2.gz VICJRMKBWVZKRP-OJSRQPNCSA-N 0 3 317.477 3.218 20 10 DGCDHN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000697820963 1095051255 /nfs/dbraw/zinc/05/12/55/1095051255.db2.gz AIWLRTJRLQUKGS-GXTWGEPZSA-N 0 3 320.433 3.130 20 10 DGCDHN [O-]c1ccc(F)c(F)c1CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222171414 1095475454 /nfs/dbraw/zinc/47/54/54/1095475454.db2.gz BJJNKZJTYJDEGE-SFHVURJKSA-N 0 3 324.415 3.416 20 10 DGCDHN Cc1cc(CN2CC[C@]23CCOC3)ccc1N1CCCCC1 ZINC001117989359 1095915287 /nfs/dbraw/zinc/91/52/87/1095915287.db2.gz HVWYHQGRFCQRMV-LJQANCHMSA-N 0 3 300.446 3.350 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C2(C)CC2)c1[O-] ZINC001118387031 1095993766 /nfs/dbraw/zinc/99/37/66/1095993766.db2.gz LDAFLWGFKPHGAY-QMMMGPOBSA-N 0 3 300.196 3.366 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171349509 1096519637 /nfs/dbraw/zinc/51/96/37/1096519637.db2.gz KAJGRNBPRWGNSQ-ZDUSSCGKSA-N 0 3 305.324 3.023 20 10 DGCDHN CC[C@H](C)OCC[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC001172334451 1097116511 /nfs/dbraw/zinc/11/65/11/1097116511.db2.gz CNWFXQNVTHXDCC-SJORKVTESA-N 0 3 320.477 3.411 20 10 DGCDHN COc1ccc(N2CCN([C@@H](C)CCOC(C)C)CC2)cc1 ZINC001172440393 1097155350 /nfs/dbraw/zinc/15/53/50/1097155350.db2.gz MBTRVBQFVPFYDQ-INIZCTEOSA-N 0 3 306.450 3.021 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1[O-] ZINC001172670863 1097211574 /nfs/dbraw/zinc/21/15/74/1097211574.db2.gz KCUYAPZBALOKGM-DOTOQJQBSA-N 0 3 324.424 3.234 20 10 DGCDHN COC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC001173712693 1097500229 /nfs/dbraw/zinc/50/02/29/1097500229.db2.gz TUNCBKKXAOWRAI-KGLIPLIRSA-N 0 3 313.397 3.461 20 10 DGCDHN CCN(Cc1c(Br)ccc(OC)c1O)C(C)C ZINC001231548224 1097777823 /nfs/dbraw/zinc/77/78/23/1097777823.db2.gz QCMBKTODZXJQJC-UHFFFAOYSA-N 0 3 302.212 3.394 20 10 DGCDHN CC[N@H+](Cc1c(Br)ccc(OC)c1[O-])C(C)C ZINC001231548224 1097777827 /nfs/dbraw/zinc/77/78/27/1097777827.db2.gz QCMBKTODZXJQJC-UHFFFAOYSA-N 0 3 302.212 3.394 20 10 DGCDHN CC[N@@H+](Cc1c(Br)ccc(OC)c1[O-])C(C)C ZINC001231548224 1097777831 /nfs/dbraw/zinc/77/78/31/1097777831.db2.gz QCMBKTODZXJQJC-UHFFFAOYSA-N 0 3 302.212 3.394 20 10 DGCDHN COc1ccc(Br)c(CN(C)CC2CC2)c1O ZINC001231546915 1097777356 /nfs/dbraw/zinc/77/73/56/1097777356.db2.gz CHAXGFKHNFKOJM-UHFFFAOYSA-N 0 3 300.196 3.005 20 10 DGCDHN COc1ccc(Br)c(C[N@H+](C)CC2CC2)c1[O-] ZINC001231546915 1097777363 /nfs/dbraw/zinc/77/73/63/1097777363.db2.gz CHAXGFKHNFKOJM-UHFFFAOYSA-N 0 3 300.196 3.005 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+](C)CC2CC2)c1[O-] ZINC001231546915 1097777367 /nfs/dbraw/zinc/77/73/67/1097777367.db2.gz CHAXGFKHNFKOJM-UHFFFAOYSA-N 0 3 300.196 3.005 20 10 DGCDHN Cc1cccc(CN2CCN(c3ccc(F)cc3C)CC2)c1O ZINC001231595189 1097788235 /nfs/dbraw/zinc/78/82/35/1097788235.db2.gz UMUPEUPUKCUWCP-UHFFFAOYSA-N 0 3 314.404 3.470 20 10 DGCDHN C[N@@H+](Cc1cccc(Br)c1N)Cc1ccccc1[O-] ZINC001232527345 1098068885 /nfs/dbraw/zinc/06/88/85/1098068885.db2.gz ZGMVVWQCUPOSRM-UHFFFAOYSA-N 0 3 321.218 3.369 20 10 DGCDHN C[N@H+](Cc1cccc(Br)c1N)Cc1ccccc1[O-] ZINC001232527345 1098068890 /nfs/dbraw/zinc/06/88/90/1098068890.db2.gz ZGMVVWQCUPOSRM-UHFFFAOYSA-N 0 3 321.218 3.369 20 10 DGCDHN CN(C)c1ccc(CN2CCc3cc(F)ccc3C2)c(O)c1 ZINC001232840710 1098150544 /nfs/dbraw/zinc/15/05/44/1098150544.db2.gz HSMLWMDXYCFQCK-UHFFFAOYSA-N 0 3 300.377 3.156 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2CCCC3(C2)OCCO3)c1 ZINC001233286780 1098276000 /nfs/dbraw/zinc/27/60/00/1098276000.db2.gz IUKSWAWMZHRDIQ-UHFFFAOYSA-N 0 3 305.418 3.029 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c1[O-] ZINC001233290300 1098278058 /nfs/dbraw/zinc/27/80/58/1098278058.db2.gz VKIUESHJRDEAKJ-AWEZNQCLSA-N 0 3 313.825 3.444 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(C)(C)OC)c1[O-] ZINC001233290300 1098278063 /nfs/dbraw/zinc/27/80/63/1098278063.db2.gz VKIUESHJRDEAKJ-AWEZNQCLSA-N 0 3 313.825 3.444 20 10 DGCDHN CCOCC1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC001233290001 1098278401 /nfs/dbraw/zinc/27/84/01/1098278401.db2.gz CFBZXBGBXJBXRU-UHFFFAOYSA-N 0 3 313.825 3.303 20 10 DGCDHN COc1ccc([C@@H]2CCCN2Cc2cc(O)c(O)cc2O)cc1 ZINC001233485456 1098346451 /nfs/dbraw/zinc/34/64/51/1098346451.db2.gz WNRAHLQLKJDOPU-HNNXBMFYSA-N 0 3 315.369 3.149 20 10 DGCDHN COCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C(C)C ZINC001233754253 1098422498 /nfs/dbraw/zinc/42/24/98/1098422498.db2.gz BLABDWCOFXGVNG-UHFFFAOYSA-N 0 3 307.312 3.148 20 10 DGCDHN COCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C(C)C ZINC001233754253 1098422499 /nfs/dbraw/zinc/42/24/99/1098422499.db2.gz BLABDWCOFXGVNG-UHFFFAOYSA-N 0 3 307.312 3.148 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(CCCO4)C3)c2c1 ZINC001234525929 1098581723 /nfs/dbraw/zinc/58/17/23/1098581723.db2.gz NHNXPQMYCPGBCZ-IBGZPJMESA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(CCCO4)C3)c2c1 ZINC001234525929 1098581731 /nfs/dbraw/zinc/58/17/31/1098581731.db2.gz NHNXPQMYCPGBCZ-IBGZPJMESA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4C[C@H]3C[C@H]4F)c2c1 ZINC001234552885 1098596042 /nfs/dbraw/zinc/59/60/42/1098596042.db2.gz NTXWNFCQXRKLQS-GDZNZVCISA-N 0 3 301.361 3.486 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4C[C@H]3C[C@H]4F)c2c1 ZINC001234552885 1098596050 /nfs/dbraw/zinc/59/60/50/1098596050.db2.gz NTXWNFCQXRKLQS-GDZNZVCISA-N 0 3 301.361 3.486 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4OCC[C@H]4C3)c2c1 ZINC001234562073 1098600026 /nfs/dbraw/zinc/60/00/26/1098600026.db2.gz GIGWESMNQXTRSY-IFXJQAMLSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4OCC[C@H]4C3)c2c1 ZINC001234562073 1098600038 /nfs/dbraw/zinc/60/00/38/1098600038.db2.gz GIGWESMNQXTRSY-IFXJQAMLSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCOCC34CCC4)c2c1 ZINC001234562376 1098602382 /nfs/dbraw/zinc/60/23/82/1098602382.db2.gz LVAMFLYYJXSNHH-UHFFFAOYSA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@H]3C3CC3)c2c1 ZINC001234569874 1098603228 /nfs/dbraw/zinc/60/32/28/1098603228.db2.gz TTYXSZNZBOHMSK-SFHVURJKSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@H]3C3CC3)c2c1 ZINC001234569874 1098603232 /nfs/dbraw/zinc/60/32/32/1098603232.db2.gz TTYXSZNZBOHMSK-SFHVURJKSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CCCOC3)c2c1 ZINC001234569090 1098603731 /nfs/dbraw/zinc/60/37/31/1098603731.db2.gz JJNNULSMJQOYMJ-AWEZNQCLSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CCCOC3)c2c1 ZINC001234569090 1098603736 /nfs/dbraw/zinc/60/37/36/1098603736.db2.gz JJNNULSMJQOYMJ-AWEZNQCLSA-N 0 3 301.386 3.165 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H](C)c3cccnc3)cc2)CC1 ZINC001234658125 1098634623 /nfs/dbraw/zinc/63/46/23/1098634623.db2.gz VAHUTBYVMQXXSY-MRXNPFEDSA-N 0 3 311.429 3.364 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H]3CCCC[C@@H]3F)cc2)CC1 ZINC001234660372 1098637180 /nfs/dbraw/zinc/63/71/80/1098637180.db2.gz HDZGLBODRCTOLP-ROUUACIJSA-N 0 3 306.425 3.488 20 10 DGCDHN [O-]c1c(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cccc1-c1ccccc1 ZINC001235021988 1098755062 /nfs/dbraw/zinc/75/50/62/1098755062.db2.gz UNFCUTTXAHMIQS-QFBILLFUSA-N 0 3 308.425 3.243 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CCC3(C[NH2+]C3)C2)cc1Cl ZINC001235025541 1098756668 /nfs/dbraw/zinc/75/66/68/1098756668.db2.gz FCEHMKPASPQZAR-UHFFFAOYSA-N 0 3 308.853 3.138 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)c([O-])c1 ZINC001235676923 1099120578 /nfs/dbraw/zinc/12/05/78/1099120578.db2.gz XIQUUOSYXZWGBY-SFHVURJKSA-N 0 3 309.425 3.376 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCCC[C@](O)(CF)C2)c([O-])c1 ZINC001235676923 1099120581 /nfs/dbraw/zinc/12/05/81/1099120581.db2.gz XIQUUOSYXZWGBY-SFHVURJKSA-N 0 3 309.425 3.376 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001235678713 1099122131 /nfs/dbraw/zinc/12/21/31/1099122131.db2.gz MBIUCAPWGYNOIU-LJQANCHMSA-N 0 3 317.429 3.361 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001235678713 1099122136 /nfs/dbraw/zinc/12/21/36/1099122136.db2.gz MBIUCAPWGYNOIU-LJQANCHMSA-N 0 3 317.429 3.361 20 10 DGCDHN C[NH2+]C[C@H]1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001236066179 1099365119 /nfs/dbraw/zinc/36/51/19/1099365119.db2.gz GFSCICBNEJXKAW-GFCCVEGCSA-N 0 3 310.869 3.384 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236238950 1099491683 /nfs/dbraw/zinc/49/16/83/1099491683.db2.gz FLFKSCWSLCJZCN-CQSZACIVSA-N 0 3 314.351 3.127 20 10 DGCDHN [O-]c1ccc(F)c(F)c1CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375356 1099563932 /nfs/dbraw/zinc/56/39/32/1099563932.db2.gz KPEIDLXGRHEMFU-CYBMUJFWSA-N 0 3 324.415 3.415 20 10 DGCDHN CC[C@@H]1CC[N@@H+](Cc2cc(OC)c(Br)cc2[O-])C1 ZINC001236749704 1099769325 /nfs/dbraw/zinc/76/93/25/1099769325.db2.gz DNKGIRYJVVITJI-SNVBAGLBSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1cc(C[N@H+](C)C(C)(C)C)c([O-])cc1Br ZINC001236745464 1099767152 /nfs/dbraw/zinc/76/71/52/1099767152.db2.gz DHJBFZWVRFSWRD-UHFFFAOYSA-N 0 3 302.212 3.394 20 10 DGCDHN COc1cc(C[N@@H+](C)C(C)(C)C)c([O-])cc1Br ZINC001236745464 1099767162 /nfs/dbraw/zinc/76/71/62/1099767162.db2.gz DHJBFZWVRFSWRD-UHFFFAOYSA-N 0 3 302.212 3.394 20 10 DGCDHN CC[C@@H]1CC[N@H+](Cc2cc(OC)c(Br)cc2[O-])C1 ZINC001236749704 1099769320 /nfs/dbraw/zinc/76/93/20/1099769320.db2.gz DNKGIRYJVVITJI-SNVBAGLBSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1cc(CN2CCC[C@H](C)C2)c(O)cc1Br ZINC001236745098 1099770612 /nfs/dbraw/zinc/77/06/12/1099770612.db2.gz NDOPPRVXOMQKQY-JTQLQIEISA-N 0 3 314.223 3.395 20 10 DGCDHN CCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001236784381 1099782963 /nfs/dbraw/zinc/78/29/63/1099782963.db2.gz VQUQOUBIJVPVNU-UHFFFAOYSA-N 0 3 314.404 3.416 20 10 DGCDHN CCc1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001236787985 1099785556 /nfs/dbraw/zinc/78/55/56/1099785556.db2.gz XOGDUCNRTIKZHE-UHFFFAOYSA-N 0 3 322.449 3.301 20 10 DGCDHN CCc1ccc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001236787985 1099785563 /nfs/dbraw/zinc/78/55/63/1099785563.db2.gz XOGDUCNRTIKZHE-UHFFFAOYSA-N 0 3 322.449 3.301 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236791747 1099788047 /nfs/dbraw/zinc/78/80/47/1099788047.db2.gz JSOLBWOVWDUNCJ-SFHVURJKSA-N 0 3 305.418 3.120 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236791747 1099788057 /nfs/dbraw/zinc/78/80/57/1099788057.db2.gz JSOLBWOVWDUNCJ-SFHVURJKSA-N 0 3 305.418 3.120 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC001236795231 1099791088 /nfs/dbraw/zinc/79/10/88/1099791088.db2.gz SFLAOOUDQXUUEO-GOSISDBHSA-N 0 3 312.413 3.393 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC001236795231 1099791099 /nfs/dbraw/zinc/79/10/99/1099791099.db2.gz SFLAOOUDQXUUEO-GOSISDBHSA-N 0 3 312.413 3.393 20 10 DGCDHN COc1cc(C)c(CN2CCc3c(cccc3OC)C2)c(O)c1 ZINC001236817067 1099801718 /nfs/dbraw/zinc/80/17/18/1099801718.db2.gz BMAFJPJDYCCWJX-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC(c3ccccn3)CC2)c([O-])c1 ZINC001236813413 1099803007 /nfs/dbraw/zinc/80/30/07/1099803007.db2.gz KEWWQVFPKKOWRC-UHFFFAOYSA-N 0 3 312.413 3.484 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC(c3ccncc3)CC2)c([O-])c1 ZINC001236812908 1099803829 /nfs/dbraw/zinc/80/38/29/1099803829.db2.gz HEUHDFWFRTUQOD-UHFFFAOYSA-N 0 3 312.413 3.484 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001236827900 1099812639 /nfs/dbraw/zinc/81/26/39/1099812639.db2.gz WDWDVIMWUJPNOL-GOSISDBHSA-N 0 3 303.377 3.232 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001236827900 1099812646 /nfs/dbraw/zinc/81/26/46/1099812646.db2.gz WDWDVIMWUJPNOL-GOSISDBHSA-N 0 3 303.377 3.232 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c([O-])c1 ZINC001237040195 1099939027 /nfs/dbraw/zinc/93/90/27/1099939027.db2.gz AWNCFSWESGDFEI-CQSZACIVSA-N 0 3 303.324 3.360 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c([O-])c1 ZINC001237040195 1099939030 /nfs/dbraw/zinc/93/90/30/1099939030.db2.gz AWNCFSWESGDFEI-CQSZACIVSA-N 0 3 303.324 3.360 20 10 DGCDHN COC(=O)CC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237052260 1099943962 /nfs/dbraw/zinc/94/39/62/1099943962.db2.gz SOBNBMYGYRFLBQ-UHFFFAOYSA-N 0 3 305.418 3.291 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c([O-])c1 ZINC001237050034 1099944081 /nfs/dbraw/zinc/94/40/81/1099944081.db2.gz NKLBDMRPOSYMIA-ROUUACIJSA-N 0 3 323.392 3.203 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c([O-])c1 ZINC001237050034 1099944086 /nfs/dbraw/zinc/94/40/86/1099944086.db2.gz NKLBDMRPOSYMIA-ROUUACIJSA-N 0 3 323.392 3.203 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c([O-])c1 ZINC001237052424 1099945315 /nfs/dbraw/zinc/94/53/15/1099945315.db2.gz YJIHEEPDXVJVKM-UHFFFAOYSA-N 0 3 316.445 3.102 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237139920 1099989932 /nfs/dbraw/zinc/98/99/32/1099989932.db2.gz RBRQZJHFOUDEKR-CQSZACIVSA-N 0 3 314.351 3.081 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001237139920 1099989938 /nfs/dbraw/zinc/98/99/38/1099989938.db2.gz RBRQZJHFOUDEKR-CQSZACIVSA-N 0 3 314.351 3.081 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001237138162 1099991088 /nfs/dbraw/zinc/99/10/88/1099991088.db2.gz USGBMGPTTBIBJM-AWEZNQCLSA-N 0 3 321.314 3.098 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001237138162 1099991095 /nfs/dbraw/zinc/99/10/95/1099991095.db2.gz USGBMGPTTBIBJM-AWEZNQCLSA-N 0 3 321.314 3.098 20 10 DGCDHN COc1ccc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)c([O-])c1Cl ZINC001237157249 1100007982 /nfs/dbraw/zinc/00/79/82/1100007982.db2.gz SHEHQGANYGCGOL-CQSZACIVSA-N 0 3 324.852 3.161 20 10 DGCDHN COc1ccc(C[N@H+](C2CCC2)[C@@H]2CCCNC2)c([O-])c1Cl ZINC001237157249 1100007989 /nfs/dbraw/zinc/00/79/89/1100007989.db2.gz SHEHQGANYGCGOL-CQSZACIVSA-N 0 3 324.852 3.161 20 10 DGCDHN COc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCCNC2)c([O-])c1Cl ZINC001237157249 1100008003 /nfs/dbraw/zinc/00/80/03/1100008003.db2.gz SHEHQGANYGCGOL-CQSZACIVSA-N 0 3 324.852 3.161 20 10 DGCDHN Cc1ccc(C2(O)CC[NH+](Cc3c(C)cccc3[O-])CC2)cc1 ZINC001237481760 1100139783 /nfs/dbraw/zinc/13/97/83/1100139783.db2.gz HZJMULMLIZCQCV-UHFFFAOYSA-N 0 3 311.425 3.493 20 10 DGCDHN Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)c1 ZINC001237494864 1100145008 /nfs/dbraw/zinc/14/50/08/1100145008.db2.gz MJHYWPCJVGMQFQ-INIZCTEOSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)c1 ZINC001237494864 1100145013 /nfs/dbraw/zinc/14/50/13/1100145013.db2.gz MJHYWPCJVGMQFQ-INIZCTEOSA-N 0 3 312.413 3.447 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC001237494447 1100145638 /nfs/dbraw/zinc/14/56/38/1100145638.db2.gz IVUCOADPOABYAA-HUUCEWRRSA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC001237494447 1100145643 /nfs/dbraw/zinc/14/56/43/1100145643.db2.gz IVUCOADPOABYAA-HUUCEWRRSA-N 0 3 305.418 3.112 20 10 DGCDHN COC(=O)c1cccc2c1CCN(Cc1c(C)cccc1O)C2 ZINC001237496269 1100145666 /nfs/dbraw/zinc/14/56/66/1100145666.db2.gz XRPHAUZCLZXSPJ-UHFFFAOYSA-N 0 3 311.381 3.046 20 10 DGCDHN OC[C@]1(F)CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237642027 1100198873 /nfs/dbraw/zinc/19/88/73/1100198873.db2.gz XGLIWMMOCCERQS-SFHVURJKSA-N 0 3 319.351 3.105 20 10 DGCDHN OC[C@@H]1C[C@H](F)CN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641726 1100199426 /nfs/dbraw/zinc/19/94/26/1100199426.db2.gz WKARLDDBTVOYEW-IRXDYDNUSA-N 0 3 319.351 3.103 20 10 DGCDHN COc1cc(CN(C)Cc2ccc(F)cc2)c(O)c(OC)c1 ZINC001237675048 1100209434 /nfs/dbraw/zinc/20/94/34/1100209434.db2.gz RDCKLTJKPXWPJQ-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN COc1ccc(CN(C)Cc2cc(OC)cc(OC)c2O)cc1 ZINC001237668815 1100210431 /nfs/dbraw/zinc/21/04/31/1100210431.db2.gz GSRMOGMKFDJJGX-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN COc1cc(CN2CCc3ccc(C)cc3C2)c(O)c(OC)c1 ZINC001237671617 1100210467 /nfs/dbraw/zinc/21/04/67/1100210467.db2.gz CTKYIDWFXPSSCG-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)cc(C)c1[O-])C2 ZINC001237686301 1100215100 /nfs/dbraw/zinc/21/51/00/1100215100.db2.gz KEHKGOPGQLJZHD-HUBLWGQQSA-N 0 3 323.820 3.128 20 10 DGCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C2 ZINC001237686301 1100215105 /nfs/dbraw/zinc/21/51/05/1100215105.db2.gz KEHKGOPGQLJZHD-HUBLWGQQSA-N 0 3 323.820 3.128 20 10 DGCDHN Cc1cc(F)cc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1O ZINC001238064857 1100349116 /nfs/dbraw/zinc/34/91/16/1100349116.db2.gz DDSXYYVQHVERLJ-DLBZAZTESA-N 0 3 324.415 3.238 20 10 DGCDHN CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238070850 1100351197 /nfs/dbraw/zinc/35/11/97/1100351197.db2.gz PZBWWYJEWGVJBW-ZDUSSCGKSA-N 0 3 309.381 3.005 20 10 DGCDHN CCOC(=O)[C@H]1CCCC[N@@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238070850 1100351204 /nfs/dbraw/zinc/35/12/04/1100351204.db2.gz PZBWWYJEWGVJBW-ZDUSSCGKSA-N 0 3 309.381 3.005 20 10 DGCDHN CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2ccccc2)c1[O-] ZINC001276139802 1105029209 /nfs/dbraw/zinc/02/92/09/1105029209.db2.gz CRINDGOYOCGBMH-OALUTQOASA-N 0 3 308.425 3.338 20 10 DGCDHN CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(-c2ccccc2)c1[O-] ZINC001276139802 1105029216 /nfs/dbraw/zinc/02/92/16/1105029216.db2.gz CRINDGOYOCGBMH-OALUTQOASA-N 0 3 308.425 3.338 20 10 DGCDHN COC(=O)Cc1ccc(C[NH+]2C3CCCC2CCC3)c([O-])c1 ZINC001249214365 1105247921 /nfs/dbraw/zinc/24/79/21/1105247921.db2.gz KLGGOFZIYPDJDK-UHFFFAOYSA-N 0 3 303.402 3.015 20 10 DGCDHN C[C@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@]1(C)O ZINC001249223854 1105249422 /nfs/dbraw/zinc/24/94/22/1105249422.db2.gz OYYSHJRPUCVHAM-DJJJIMSYSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@]1(C)O ZINC001249223854 1105249424 /nfs/dbraw/zinc/24/94/24/1105249424.db2.gz OYYSHJRPUCVHAM-DJJJIMSYSA-N 0 3 317.429 3.169 20 10 DGCDHN CCC[N@H+](CCOC)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249223580 1105249596 /nfs/dbraw/zinc/24/95/96/1105249596.db2.gz IBEFHIAZDLYWHA-UHFFFAOYSA-N 0 3 305.418 3.435 20 10 DGCDHN CCC[N@@H+](CCOC)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249223580 1105249599 /nfs/dbraw/zinc/24/95/99/1105249599.db2.gz IBEFHIAZDLYWHA-UHFFFAOYSA-N 0 3 305.418 3.435 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@H](CO)CC3)ccc2O1 ZINC001249223581 1105249967 /nfs/dbraw/zinc/24/99/67/1105249967.db2.gz ICRISBUOMSYUNJ-AWEZNQCLSA-N 0 3 317.429 3.171 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@H](CO)CC3)ccc2O1 ZINC001249223581 1105249968 /nfs/dbraw/zinc/24/99/68/1105249968.db2.gz ICRISBUOMSYUNJ-AWEZNQCLSA-N 0 3 317.429 3.171 20 10 DGCDHN [NH3+][C@H](Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1[O-] ZINC001249340158 1105271368 /nfs/dbraw/zinc/27/13/68/1105271368.db2.gz VWBUCAPXKDTHCT-CYBMUJFWSA-N 0 3 315.760 3.338 20 10 DGCDHN CCC[N@H+](CC)Cc1ccc(OCCCC(=O)OCC)cc1[O-] ZINC001249726484 1105366820 /nfs/dbraw/zinc/36/68/20/1105366820.db2.gz SASKGYAMVWZREO-UHFFFAOYSA-N 0 3 323.433 3.346 20 10 DGCDHN CCC[N@@H+](CC)Cc1ccc(OCCCC(=O)OCC)cc1[O-] ZINC001249726484 1105366826 /nfs/dbraw/zinc/36/68/26/1105366826.db2.gz SASKGYAMVWZREO-UHFFFAOYSA-N 0 3 323.433 3.346 20 10 DGCDHN Cc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c(O)cc1Br ZINC001250126484 1105447682 /nfs/dbraw/zinc/44/76/82/1105447682.db2.gz FIWLVIPXYLSQPG-XHVZSJERSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])cc1Br ZINC001250126484 1105447685 /nfs/dbraw/zinc/44/76/85/1105447685.db2.gz FIWLVIPXYLSQPG-XHVZSJERSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])cc1Br ZINC001250126484 1105447687 /nfs/dbraw/zinc/44/76/87/1105447687.db2.gz FIWLVIPXYLSQPG-XHVZSJERSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cnn1C ZINC001254720969 1106135902 /nfs/dbraw/zinc/13/59/02/1106135902.db2.gz DVZUUCSGHONERI-ISTVAULSSA-N 0 3 303.381 3.472 20 10 DGCDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C2 ZINC001255182338 1106201413 /nfs/dbraw/zinc/20/14/13/1106201413.db2.gz DTTLVPZUQCXXCG-ZQDZILKHSA-N 0 3 318.417 3.195 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC001256608599 1106453040 /nfs/dbraw/zinc/45/30/40/1106453040.db2.gz FLACVJOXRBVENZ-UHFFFAOYSA-N 0 3 322.452 3.415 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC001256608599 1106453042 /nfs/dbraw/zinc/45/30/42/1106453042.db2.gz FLACVJOXRBVENZ-UHFFFAOYSA-N 0 3 322.452 3.415 20 10 DGCDHN CO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)C(C)(C)C ZINC001261787036 1107529607 /nfs/dbraw/zinc/52/96/07/1107529607.db2.gz BAOXXOFDUNMIJW-HNNXBMFYSA-N 0 3 300.393 3.182 20 10 DGCDHN COc1ccc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c([O-])c1OC ZINC001262357188 1107686862 /nfs/dbraw/zinc/68/68/62/1107686862.db2.gz BSCHMLKRCRXYGM-STQMWFEESA-N 0 3 311.447 3.125 20 10 DGCDHN COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c([O-])c1OC ZINC001262357188 1107686868 /nfs/dbraw/zinc/68/68/68/1107686868.db2.gz BSCHMLKRCRXYGM-STQMWFEESA-N 0 3 311.447 3.125 20 10 DGCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CO)c([O-])c1 ZINC001319828226 1108654408 /nfs/dbraw/zinc/65/44/08/1108654408.db2.gz FHNBIBFYNCPKIB-OAHLLOKOSA-N 0 3 315.413 3.174 20 10 DGCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)c([O-])c1 ZINC001319828226 1108654414 /nfs/dbraw/zinc/65/44/14/1108654414.db2.gz FHNBIBFYNCPKIB-OAHLLOKOSA-N 0 3 315.413 3.174 20 10 DGCDHN CC[C@H](C)[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289599740 1110216351 /nfs/dbraw/zinc/21/63/51/1110216351.db2.gz IHLIBVRCCZFOOB-DAYGRLMNSA-N 0 3 319.493 3.154 20 10 DGCDHN CCCC[N@H+](CCN1C[C@H](C)O[C@@H](C)C1)Cc1ccccc1[O-] ZINC001307722777 1111331750 /nfs/dbraw/zinc/33/17/50/1111331750.db2.gz ZPXBPTJHYNWYFM-IRXDYDNUSA-N 0 3 320.477 3.104 20 10 DGCDHN CCCC[N@@H+](CCN1C[C@H](C)O[C@@H](C)C1)Cc1ccccc1[O-] ZINC001307722777 1111331754 /nfs/dbraw/zinc/33/17/54/1111331754.db2.gz ZPXBPTJHYNWYFM-IRXDYDNUSA-N 0 3 320.477 3.104 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cnc(N(C)C)s2)cc1 ZINC001308207340 1111397374 /nfs/dbraw/zinc/39/73/74/1111397374.db2.gz JOTAXAYDYNPWFD-UHFFFAOYSA-N 0 3 318.490 3.345 20 10 DGCDHN COc1ccc([C@H]2CC[N@H+](Cc3cccc(OC)c3[O-])C2)cc1 ZINC000092783464 185341105 /nfs/dbraw/zinc/34/11/05/185341105.db2.gz LTBOUXSJMKWPPG-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc([C@H]2CC[N@@H+](Cc3cccc(OC)c3[O-])C2)cc1 ZINC000092783464 185341106 /nfs/dbraw/zinc/34/11/06/185341106.db2.gz LTBOUXSJMKWPPG-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cc(O)c(CN(C)Cc2cccc(F)c2)cc1OC ZINC000179560847 432062478 /nfs/dbraw/zinc/06/24/78/432062478.db2.gz QPLOEUCCRXGRAJ-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000179573792 432062882 /nfs/dbraw/zinc/06/28/82/432062882.db2.gz YGOILMACGLRJJD-SFHVURJKSA-N 0 3 310.441 3.346 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000179573792 432062884 /nfs/dbraw/zinc/06/28/84/432062884.db2.gz YGOILMACGLRJJD-SFHVURJKSA-N 0 3 310.441 3.346 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000179573809 432063107 /nfs/dbraw/zinc/06/31/07/432063107.db2.gz YGOILMACGLRJJD-GOSISDBHSA-N 0 3 310.441 3.346 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000179573809 432063110 /nfs/dbraw/zinc/06/31/10/432063110.db2.gz YGOILMACGLRJJD-GOSISDBHSA-N 0 3 310.441 3.346 20 10 DGCDHN C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000184305446 296004926 /nfs/dbraw/zinc/00/49/26/296004926.db2.gz XEGFMPQYYNKISI-WCJKSRRJSA-N 0 3 322.518 3.485 20 10 DGCDHN Cc1c(CN(Cc2ccc(N(C)C)cc2)C(C)C)cnn1C ZINC000268942403 432149052 /nfs/dbraw/zinc/14/90/52/432149052.db2.gz SYUYOOFYUSQTRE-UHFFFAOYSA-N 0 3 300.450 3.205 20 10 DGCDHN C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183722838 533378343 /nfs/dbraw/zinc/37/83/43/533378343.db2.gz YXKZJNWMUJTIRC-CYBMUJFWSA-N 0 3 308.422 3.348 20 10 DGCDHN COc1cccc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1[O-] ZINC000272470018 130033207 /nfs/dbraw/zinc/03/32/07/130033207.db2.gz ABJYJJVDYUGOQL-OAHLLOKOSA-N 0 3 313.397 3.302 20 10 DGCDHN COc1cccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1[O-] ZINC000272470018 130033209 /nfs/dbraw/zinc/03/32/09/130033209.db2.gz ABJYJJVDYUGOQL-OAHLLOKOSA-N 0 3 313.397 3.302 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000273364758 130112875 /nfs/dbraw/zinc/11/28/75/130112875.db2.gz DTRIFRGBBUNJSX-TZMCWYRMSA-N 0 3 321.367 3.172 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273449163 130124497 /nfs/dbraw/zinc/12/44/97/130124497.db2.gz FONMVEDPLFZMCT-CJNGLKHVSA-N 0 3 303.377 3.094 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c([O-])c1C ZINC000273467880 130125459 /nfs/dbraw/zinc/12/54/59/130125459.db2.gz FCGUOKZOLNZVSO-RHSMWYFYSA-N 0 3 308.491 3.097 20 10 DGCDHN C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273486761 130127622 /nfs/dbraw/zinc/12/76/22/130127622.db2.gz NHVYBQDZANUGEQ-RRMDADRESA-N 0 3 309.475 3.079 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000273516694 130130995 /nfs/dbraw/zinc/13/09/95/130130995.db2.gz SPANMGQDCXYVSB-LBPRGKRZSA-N 0 3 316.357 3.202 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000273548800 130135575 /nfs/dbraw/zinc/13/55/75/130135575.db2.gz ZXICVYUDXANHBG-BZNIZROVSA-N 0 3 321.804 3.438 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1[O-] ZINC000275387137 130312898 /nfs/dbraw/zinc/31/28/98/130312898.db2.gz YJDYPGVQLWNVIF-MNOVXSKESA-N 0 3 315.255 3.064 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)N(C)C)c1[O-] ZINC000275387160 130313706 /nfs/dbraw/zinc/31/37/06/130313706.db2.gz YJDYPGVQLWNVIF-WDEREUQCSA-N 0 3 315.255 3.064 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1C ZINC000284973609 131127406 /nfs/dbraw/zinc/12/74/06/131127406.db2.gz BGVXZOLHVVJXAO-HNNXBMFYSA-N 0 3 317.351 3.288 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1C ZINC000284973609 131127407 /nfs/dbraw/zinc/12/74/07/131127407.db2.gz BGVXZOLHVVJXAO-HNNXBMFYSA-N 0 3 317.351 3.288 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285533668 131178292 /nfs/dbraw/zinc/17/82/92/131178292.db2.gz LBQIBDPARJMBSY-HNNXBMFYSA-N 0 3 316.367 3.032 20 10 DGCDHN CCCOc1ccc(C[NH2+]CCCCCC(=O)OC)c([O-])c1 ZINC000289147315 131361218 /nfs/dbraw/zinc/36/12/18/131361218.db2.gz AVJIRYVYTAOZHQ-UHFFFAOYSA-N 0 3 309.406 3.004 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC[C@H](O)c2ccccc2)c([O-])c1 ZINC000289406915 131384027 /nfs/dbraw/zinc/38/40/27/131384027.db2.gz HFRCQZXUJWWCFL-SFHVURJKSA-N 0 3 315.413 3.394 20 10 DGCDHN COc1cccc(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)c1[O-] ZINC000289538063 131394487 /nfs/dbraw/zinc/39/44/87/131394487.db2.gz WOCGCCSVPKUAJV-OAHLLOKOSA-N 0 3 313.397 3.057 20 10 DGCDHN CCOc1ccc(O)c(CN(CCCO)Cc2ccccc2)c1 ZINC000093102200 400226047 /nfs/dbraw/zinc/22/60/47/400226047.db2.gz WYHWTCGRNYUEIY-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+](CCCO)Cc2ccccc2)c1 ZINC000093102200 400226053 /nfs/dbraw/zinc/22/60/53/400226053.db2.gz WYHWTCGRNYUEIY-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+](CCCO)Cc2ccccc2)c1 ZINC000093102200 400226057 /nfs/dbraw/zinc/22/60/57/400226057.db2.gz WYHWTCGRNYUEIY-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c([O-])c1 ZINC000093585848 400250025 /nfs/dbraw/zinc/25/00/25/400250025.db2.gz UEOLBHNXZRYZMN-APWZRJJASA-N 0 3 319.445 3.308 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c([O-])c1 ZINC000093585848 400250028 /nfs/dbraw/zinc/25/00/28/400250028.db2.gz UEOLBHNXZRYZMN-APWZRJJASA-N 0 3 319.445 3.308 20 10 DGCDHN COc1cc(O)c(CN(Cc2ccco2)C(C)C)cc1OC ZINC000271080390 286238972 /nfs/dbraw/zinc/23/89/72/286238972.db2.gz INTZIRQTYOGWOZ-UHFFFAOYSA-N 0 3 305.374 3.413 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1C ZINC000182093761 228365872 /nfs/dbraw/zinc/36/58/72/228365872.db2.gz CLMPTIMPKHINCH-INIZCTEOSA-N 0 3 313.445 3.197 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1C ZINC000182093761 228365876 /nfs/dbraw/zinc/36/58/76/228365876.db2.gz CLMPTIMPKHINCH-INIZCTEOSA-N 0 3 313.445 3.197 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(CO)c1 ZINC000270541370 432256302 /nfs/dbraw/zinc/25/63/02/432256302.db2.gz XMFABWBSFXJASO-CYBMUJFWSA-N 0 3 302.393 3.235 20 10 DGCDHN COc1cccc(CN[C@H]2CCOc3c(F)cccc32)c1O ZINC000191121818 274147019 /nfs/dbraw/zinc/14/70/19/274147019.db2.gz QHOLTQAWAMAEQM-AWEZNQCLSA-N 0 3 303.333 3.153 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCCCC1 ZINC000076074237 276002838 /nfs/dbraw/zinc/00/28/38/276002838.db2.gz LIMHURPOIQMMJB-OAHLLOKOSA-N 0 3 304.434 3.005 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCCCC1 ZINC000076074237 276002839 /nfs/dbraw/zinc/00/28/39/276002839.db2.gz LIMHURPOIQMMJB-OAHLLOKOSA-N 0 3 304.434 3.005 20 10 DGCDHN CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccsc1 ZINC000295912026 276827538 /nfs/dbraw/zinc/82/75/38/276827538.db2.gz JFZFPAGGKSMWDZ-GJZGRUSLSA-N 0 3 302.443 3.334 20 10 DGCDHN CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000155412184 288039405 /nfs/dbraw/zinc/03/94/05/288039405.db2.gz NFJQXTGOQOCQQT-NUJGCVRESA-N 0 3 320.477 3.322 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c([O-])c1 ZINC000185687574 278854956 /nfs/dbraw/zinc/85/49/56/278854956.db2.gz RTJDHJQVOGNBNN-KBPBESRZSA-N 0 3 315.392 3.164 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1[O-] ZINC000074334549 431416406 /nfs/dbraw/zinc/41/64/06/431416406.db2.gz CRLPXBLWUJNVAY-QGZVFWFLSA-N 0 3 314.429 3.183 20 10 DGCDHN CN(Cc1ccsc1)Cc1ccc(N2CCOCC2)cc1 ZINC000120467755 431727178 /nfs/dbraw/zinc/72/71/78/431727178.db2.gz WYZXXMNZMIGJSC-UHFFFAOYSA-N 0 3 302.443 3.217 20 10 DGCDHN CN(C)[C@H](CNCc1ccc2c(c1)CCO2)c1cccs1 ZINC000037362882 431846263 /nfs/dbraw/zinc/84/62/63/431846263.db2.gz DTKQBYSSKJDKLL-OAHLLOKOSA-N 0 3 302.443 3.076 20 10 DGCDHN COc1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1[O-] ZINC000093705113 431917200 /nfs/dbraw/zinc/91/72/00/431917200.db2.gz SYHBBKMLDDQFRR-UHFFFAOYSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183459398 432295879 /nfs/dbraw/zinc/29/58/79/432295879.db2.gz FJDMMSXFNYTMEX-ZDUSSCGKSA-N 0 3 301.386 3.303 20 10 DGCDHN Cc1cccc2c(CC[NH2+]Cc3cc4c(cc3[O-])OCO4)c[nH]c21 ZINC000174447384 432347199 /nfs/dbraw/zinc/34/71/99/432347199.db2.gz WCTIXHDWHJYANL-UHFFFAOYSA-N 0 3 324.380 3.243 20 10 DGCDHN C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccccc1[O-] ZINC000183609249 432307599 /nfs/dbraw/zinc/30/75/99/432307599.db2.gz WWIKTQFVSGWJAB-LBPRGKRZSA-N 0 3 313.376 3.311 20 10 DGCDHN CC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccccc1[O-] ZINC000271687378 432422363 /nfs/dbraw/zinc/42/23/63/432422363.db2.gz JPVXTESQXJEJHI-INIZCTEOSA-N 0 3 304.434 3.224 20 10 DGCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000271762250 432424820 /nfs/dbraw/zinc/42/48/20/432424820.db2.gz FBGZHDQLBDKXAC-JKSUJKDBSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000271762250 432424823 /nfs/dbraw/zinc/42/48/23/432424823.db2.gz FBGZHDQLBDKXAC-JKSUJKDBSA-N 0 3 301.386 3.382 20 10 DGCDHN CCOc1cccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c1[O-] ZINC000271829563 432425932 /nfs/dbraw/zinc/42/59/32/432425932.db2.gz ONGMFZHGKWIJQW-AWEZNQCLSA-N 0 3 307.434 3.069 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c([O-])c1 ZINC000193503691 432477595 /nfs/dbraw/zinc/47/75/95/432477595.db2.gz FTOANGTWHQKDBA-STQMWFEESA-N 0 3 316.367 3.235 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c([O-])c1 ZINC000193503711 432477795 /nfs/dbraw/zinc/47/77/95/432477795.db2.gz FTOANGTWHQKDBA-CHWSQXEVSA-N 0 3 316.367 3.235 20 10 DGCDHN C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc2c(cc1[O-])CCCC2 ZINC000185313260 432489775 /nfs/dbraw/zinc/48/97/75/432489775.db2.gz MJZMPQWSHOCUSI-AWEZNQCLSA-N 0 3 313.445 3.288 20 10 DGCDHN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(OC)c1[O-] ZINC000154672175 432513259 /nfs/dbraw/zinc/51/32/59/432513259.db2.gz XWUAGCKGFFQTGE-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN C[C@H]([NH2+]CCSCCCO)c1cc2c(cc1[O-])CCCC2 ZINC000185378940 432496277 /nfs/dbraw/zinc/49/62/77/432496277.db2.gz QSFRAISEBOKNJH-ZDUSSCGKSA-N 0 3 309.475 3.037 20 10 DGCDHN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185419555 432499395 /nfs/dbraw/zinc/49/93/95/432499395.db2.gz PIFMQCNOBZFKFB-ACJLOTCBSA-N 0 3 301.386 3.093 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000185464579 432502151 /nfs/dbraw/zinc/50/21/51/432502151.db2.gz JCKJCBHTNUODRR-GOEBONIOSA-N 0 3 324.424 3.436 20 10 DGCDHN CCN(Cc1ccc(OC)cc1)Cc1cccc(OC)c1O ZINC000154672175 432513249 /nfs/dbraw/zinc/51/32/49/432513249.db2.gz XWUAGCKGFFQTGE-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(OC)c1[O-] ZINC000154672175 432513254 /nfs/dbraw/zinc/51/32/54/432513254.db2.gz XWUAGCKGFFQTGE-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN COCCOCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153993891 432462859 /nfs/dbraw/zinc/46/28/59/432462859.db2.gz KNNCVRNZNMJFBI-HNNXBMFYSA-N 0 3 324.440 3.130 20 10 DGCDHN CC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000155544046 432560503 /nfs/dbraw/zinc/56/05/03/432560503.db2.gz DBEKLPZKDJECBU-CQSZACIVSA-N 0 3 316.367 3.460 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136187 432561873 /nfs/dbraw/zinc/56/18/73/432561873.db2.gz IXMSDKDPYGHRFX-CKEIUWERSA-N 0 3 307.459 3.406 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000272503627 432514199 /nfs/dbraw/zinc/51/41/99/432514199.db2.gz HLSBUNWDXMXIRD-HNNXBMFYSA-N 0 3 313.397 3.302 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000272503627 432514202 /nfs/dbraw/zinc/51/42/02/432514202.db2.gz HLSBUNWDXMXIRD-HNNXBMFYSA-N 0 3 313.397 3.302 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000272805511 432534483 /nfs/dbraw/zinc/53/44/83/432534483.db2.gz BZUTUJHKETZXOI-ZFWWWQNUSA-N 0 3 303.377 3.033 20 10 DGCDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000272805508 432535296 /nfs/dbraw/zinc/53/52/96/432535296.db2.gz BZUTUJHKETZXOI-DZGCQCFKSA-N 0 3 303.377 3.033 20 10 DGCDHN C[C@@H](NCCn1ccnc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000155647071 432565726 /nfs/dbraw/zinc/56/57/26/432565726.db2.gz RIMIJVPHAMWWCC-OAHLLOKOSA-N 0 3 316.424 3.363 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCOCC2)c1[O-] ZINC000187031176 432643668 /nfs/dbraw/zinc/64/36/68/432643668.db2.gz QJUDMCUNIIQXIR-JTQLQIEISA-N 0 3 314.223 3.293 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCCO)c1[O-] ZINC000187294792 432656244 /nfs/dbraw/zinc/65/62/44/432656244.db2.gz YGYWWXQXXZPBTI-QWRGUYRKSA-N 0 3 316.239 3.275 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000227684607 432712858 /nfs/dbraw/zinc/71/28/58/432712858.db2.gz UWIZBLKDBCXMJW-STQMWFEESA-N 0 3 308.422 3.264 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000227690839 432713379 /nfs/dbraw/zinc/71/33/79/432713379.db2.gz HVUCFUWKVILIKU-WDEREUQCSA-N 0 3 312.385 3.095 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCC[S@@](=O)C(C)(C)C)cc1 ZINC000178409783 432732189 /nfs/dbraw/zinc/73/21/89/432732189.db2.gz ROCGMNXBLFMWRL-SPLOXXLWSA-N 0 3 310.507 3.341 20 10 DGCDHN CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000276755551 432825030 /nfs/dbraw/zinc/82/50/30/432825030.db2.gz UEFCTVGLNZLURL-CQSZACIVSA-N 0 3 312.413 3.016 20 10 DGCDHN CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000276456805 432809283 /nfs/dbraw/zinc/80/92/83/432809283.db2.gz VLTMEAZPTKRHOY-ORAYPTAESA-N 0 3 315.413 3.347 20 10 DGCDHN COc1ncc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1Cl ZINC000296278946 432891548 /nfs/dbraw/zinc/89/15/48/432891548.db2.gz DYEIYGKYWLCRJF-VIFPVBQESA-N 0 3 310.756 3.439 20 10 DGCDHN C[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296653911 432924533 /nfs/dbraw/zinc/92/45/33/432924533.db2.gz ZDGRODORQQOAHB-UONOGXRCSA-N 0 3 304.434 3.067 20 10 DGCDHN C[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296653911 432924536 /nfs/dbraw/zinc/92/45/36/432924536.db2.gz ZDGRODORQQOAHB-UONOGXRCSA-N 0 3 304.434 3.067 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c([O-])c1 ZINC000297250537 432980628 /nfs/dbraw/zinc/98/06/28/432980628.db2.gz JFUXZUCXEZRODB-XJKSGUPXSA-N 0 3 303.377 3.094 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c([O-])c1 ZINC000297250534 432980723 /nfs/dbraw/zinc/98/07/23/432980723.db2.gz JFUXZUCXEZRODB-CJNGLKHVSA-N 0 3 303.377 3.094 20 10 DGCDHN COc1cccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c1[O-] ZINC000289972026 432981366 /nfs/dbraw/zinc/98/13/66/432981366.db2.gz YYOFOVFJNIILCV-KRWDZBQOSA-N 0 3 319.426 3.040 20 10 DGCDHN CN(C)c1ccc(CNC[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000280066691 433001485 /nfs/dbraw/zinc/00/14/85/433001485.db2.gz XHHYMUVVHYTAQQ-ZDUSSCGKSA-N 0 3 302.340 3.040 20 10 DGCDHN CN(C)c1ccc(CN[C@@]2(C)CCOC2)c(C(F)(F)F)c1 ZINC000280391230 433044937 /nfs/dbraw/zinc/04/49/37/433044937.db2.gz VAJZUPYYWGBTQC-AWEZNQCLSA-N 0 3 302.340 3.040 20 10 DGCDHN CN(C)c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1F ZINC000297933931 433033913 /nfs/dbraw/zinc/03/39/13/433033913.db2.gz XURNRVOWNALXOS-HNNXBMFYSA-N 0 3 300.377 3.374 20 10 DGCDHN CN1CCC([N@H+](Cc2ccccc2)Cc2ccccc2[O-])CC1 ZINC000290486950 433065784 /nfs/dbraw/zinc/06/57/84/433065784.db2.gz OKNYQMWIGJYEMW-UHFFFAOYSA-N 0 3 310.441 3.489 20 10 DGCDHN CN1CCC([N@@H+](Cc2ccccc2)Cc2ccccc2[O-])CC1 ZINC000290486950 433065790 /nfs/dbraw/zinc/06/57/90/433065790.db2.gz OKNYQMWIGJYEMW-UHFFFAOYSA-N 0 3 310.441 3.489 20 10 DGCDHN COc1cccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000290617036 433118793 /nfs/dbraw/zinc/11/87/93/433118793.db2.gz XALJGZJMEUELAM-CQSZACIVSA-N 0 3 301.390 3.078 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1[O-] ZINC000281430263 433298079 /nfs/dbraw/zinc/29/80/79/433298079.db2.gz CCNYJEVXBZSCJH-GFCCVEGCSA-N 0 3 303.431 3.168 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000375121017 433367646 /nfs/dbraw/zinc/36/76/46/433367646.db2.gz NBRBFIZCCMVNRR-ZWKOTPCHSA-N 0 3 305.418 3.086 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282566760 433618349 /nfs/dbraw/zinc/61/83/49/433618349.db2.gz FCAHTXOQLNVNFP-KRWDZBQOSA-N 0 3 305.418 3.230 20 10 DGCDHN CCOc1cccc(CN2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000362335530 433652169 /nfs/dbraw/zinc/65/21/69/433652169.db2.gz LSGFWKPTMCWCAB-MRXNPFEDSA-N 0 3 315.417 3.170 20 10 DGCDHN Cc1nc(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])n[nH]1 ZINC000278637086 293257825 /nfs/dbraw/zinc/25/78/25/293257825.db2.gz HHQFMZMPQDGKRV-SSDOTTSWSA-N 0 3 315.204 3.019 20 10 DGCDHN Cc1nnc(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC000278637086 293257827 /nfs/dbraw/zinc/25/78/27/293257827.db2.gz HHQFMZMPQDGKRV-SSDOTTSWSA-N 0 3 315.204 3.019 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000293586087 433792758 /nfs/dbraw/zinc/79/27/58/433792758.db2.gz FFXQICPYGLTUBB-CYBMUJFWSA-N 0 3 308.422 3.184 20 10 DGCDHN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293794850 433870563 /nfs/dbraw/zinc/87/05/63/433870563.db2.gz UPACSVFMBKLPKF-HIFRSBDPSA-N 0 3 306.450 3.212 20 10 DGCDHN CC[C@@H](COCC(F)(F)F)NCc1ccc2c(c1)CCO2 ZINC000294664468 434128799 /nfs/dbraw/zinc/12/87/99/434128799.db2.gz ABHUGWVICPOVJK-ZDUSSCGKSA-N 0 3 303.324 3.069 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@H](Cc2ccccc2)OC)c1[O-] ZINC000294768184 434142608 /nfs/dbraw/zinc/14/26/08/434142608.db2.gz JWDUSMMTDPBFGZ-KRWDZBQOSA-N 0 3 315.413 3.138 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1C ZINC000294825362 434146018 /nfs/dbraw/zinc/14/60/18/434146018.db2.gz PKHURNZWLXVNJB-OAHLLOKOSA-N 0 3 318.461 3.123 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1C ZINC000294825362 434146026 /nfs/dbraw/zinc/14/60/26/434146026.db2.gz PKHURNZWLXVNJB-OAHLLOKOSA-N 0 3 318.461 3.123 20 10 DGCDHN CCN(CC)c1ccc(CN2CC([C@H]3CCOC3)C2)cc1F ZINC000366251477 434370966 /nfs/dbraw/zinc/37/09/66/434370966.db2.gz OZSVKRSIWTWOFY-HNNXBMFYSA-N 0 3 306.425 3.140 20 10 DGCDHN CC(C)OC[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000372117453 434799743 /nfs/dbraw/zinc/79/97/43/434799743.db2.gz SRDPEZWNJDPUCX-INIZCTEOSA-N 0 3 315.413 3.171 20 10 DGCDHN COc1ccc(O)c(CN[C@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000529687524 435039527 /nfs/dbraw/zinc/03/95/27/435039527.db2.gz FVCCMFWTPITQFT-SFHVURJKSA-N 0 3 314.385 3.045 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000529687524 435039532 /nfs/dbraw/zinc/03/95/32/435039532.db2.gz FVCCMFWTPITQFT-SFHVURJKSA-N 0 3 314.385 3.045 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000293661200 335114673 /nfs/dbraw/zinc/11/46/73/335114673.db2.gz IQEKYGJSYZZLIF-HIFRSBDPSA-N 0 3 307.434 3.240 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1 ZINC000527966963 337780862 /nfs/dbraw/zinc/78/08/62/337780862.db2.gz WJPZDWFIUPJXJW-LBPRGKRZSA-N 0 3 311.385 3.138 20 10 DGCDHN CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179934592 518822423 /nfs/dbraw/zinc/82/24/23/518822423.db2.gz LWMTZMZMPXYWHT-UHFFFAOYSA-N 0 3 324.396 3.020 20 10 DGCDHN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185027876 519891621 /nfs/dbraw/zinc/89/16/21/519891621.db2.gz ORYZHWCYFMBVEM-GFCCVEGCSA-N 0 3 316.376 3.132 20 10 DGCDHN CC[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000227714352 522550399 /nfs/dbraw/zinc/55/03/99/522550399.db2.gz UASVTRCFLORHNC-STQMWFEESA-N 0 3 308.422 3.346 20 10 DGCDHN COC1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000124521968 522705902 /nfs/dbraw/zinc/70/59/02/522705902.db2.gz GERMFYXOMPDLBJ-UHFFFAOYSA-N 0 3 314.223 3.074 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCc2ccccc2)cc1OC ZINC000159880221 522768914 /nfs/dbraw/zinc/76/89/14/522768914.db2.gz DQPSEFYBUFTOMQ-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccccc2)cc1OC ZINC000159880221 522768927 /nfs/dbraw/zinc/76/89/27/522768927.db2.gz DQPSEFYBUFTOMQ-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COc1ccc(CNC[C@@](C)(O)c2cc(C)oc2C)cc1C ZINC000266155272 524072140 /nfs/dbraw/zinc/07/21/40/524072140.db2.gz LPTRQUXVTQYEID-GOSISDBHSA-N 0 3 303.402 3.211 20 10 DGCDHN Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000191603481 524470421 /nfs/dbraw/zinc/47/04/21/524470421.db2.gz GLYHVAAXLANYKJ-XJKSGUPXSA-N 0 3 303.377 3.094 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]CCc2ccccc2OC(F)F)c1 ZINC000188994933 524751707 /nfs/dbraw/zinc/75/17/07/524751707.db2.gz YOMVHYGDLSVKOX-UHFFFAOYSA-N 0 3 323.339 3.335 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1 ZINC000182466256 524772353 /nfs/dbraw/zinc/77/23/53/524772353.db2.gz VEPQYZREZHKTIR-UGSOOPFHSA-N 0 3 301.386 3.093 20 10 DGCDHN C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1[O-] ZINC000183427866 525295187 /nfs/dbraw/zinc/29/51/87/525295187.db2.gz FGGOPNFHKAEDTG-HNNXBMFYSA-N 0 3 311.429 3.102 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000127151545 525340373 /nfs/dbraw/zinc/34/03/73/525340373.db2.gz KPWSEKDBMXQMCP-HNNXBMFYSA-N 0 3 322.412 3.474 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000127151545 525340379 /nfs/dbraw/zinc/34/03/79/525340379.db2.gz KPWSEKDBMXQMCP-HNNXBMFYSA-N 0 3 322.412 3.474 20 10 DGCDHN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000268864335 525472932 /nfs/dbraw/zinc/47/29/32/525472932.db2.gz SZEMEHCQXDLYGB-IUODEOHRSA-N 0 3 316.367 3.251 20 10 DGCDHN CSCc1cccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)c1 ZINC000189477804 525738073 /nfs/dbraw/zinc/73/80/73/525738073.db2.gz IJJDGPPNDDFWGS-UHFFFAOYSA-N 0 3 317.410 3.274 20 10 DGCDHN CSCc1cccc(CNCc2cc3c(cc2O)OCO3)c1 ZINC000189477804 525738078 /nfs/dbraw/zinc/73/80/78/525738078.db2.gz IJJDGPPNDDFWGS-UHFFFAOYSA-N 0 3 317.410 3.274 20 10 DGCDHN CCCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000185397868 528688573 /nfs/dbraw/zinc/68/85/73/528688573.db2.gz UATWEBGPJXVBSN-ZDUSSCGKSA-N 0 3 316.401 3.435 20 10 DGCDHN CC[C@H](C)NC(=O)CCN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000178715054 529154918 /nfs/dbraw/zinc/15/49/18/529154918.db2.gz QHYZOBWHJOTJSM-LSDHHAIUSA-N 0 3 305.466 3.098 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1 ZINC000288480236 535751577 /nfs/dbraw/zinc/75/15/77/535751577.db2.gz GKJWJBQAHMQURH-FZKQIMNGSA-N 0 3 301.386 3.003 20 10 DGCDHN CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1[O-] ZINC000286342025 535895251 /nfs/dbraw/zinc/89/52/51/535895251.db2.gz YIYFAZODUJSCAP-KRWDZBQOSA-N 0 3 306.425 3.446 20 10 DGCDHN CC[C@H]([NH2+]CCOc1ncccc1F)c1ccc(C)cc1[O-] ZINC000280146924 535903747 /nfs/dbraw/zinc/90/37/47/535903747.db2.gz PYIQLDLKHHGWND-HNNXBMFYSA-N 0 3 304.365 3.354 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccccc1[O-] ZINC000274984507 535935332 /nfs/dbraw/zinc/93/53/32/535935332.db2.gz ZSLBBEXZTHPNQX-FMKPAKJESA-N 0 3 304.434 3.080 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186444342 546195103 /nfs/dbraw/zinc/19/51/03/546195103.db2.gz QLKHUOLCHHCVPA-HXUWFJFHSA-N 0 3 308.425 3.384 20 10 DGCDHN C[C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCNC3)C1 ZINC000391411133 546758124 /nfs/dbraw/zinc/75/81/24/546758124.db2.gz OXSGIJWEAYNWBC-CQSZACIVSA-N 0 3 306.409 3.171 20 10 DGCDHN CC(C)[C@H](C)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848080 574560305 /nfs/dbraw/zinc/56/03/05/574560305.db2.gz QTSWZTRWMVFWDG-HNNXBMFYSA-N 0 3 318.461 3.298 20 10 DGCDHN CC(C)[C@H](C)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848080 574560306 /nfs/dbraw/zinc/56/03/06/574560306.db2.gz QTSWZTRWMVFWDG-HNNXBMFYSA-N 0 3 318.461 3.298 20 10 DGCDHN NC(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731846137 574560310 /nfs/dbraw/zinc/56/03/10/574560310.db2.gz UICOJSGJGPJYGB-UHFFFAOYSA-N 0 3 324.424 3.436 20 10 DGCDHN NC(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731846137 574560311 /nfs/dbraw/zinc/56/03/11/574560311.db2.gz UICOJSGJGPJYGB-UHFFFAOYSA-N 0 3 324.424 3.436 20 10 DGCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCCCC1 ZINC000731847136 574560373 /nfs/dbraw/zinc/56/03/73/574560373.db2.gz DMIFBYNEYNIHIX-UHFFFAOYSA-N 0 3 316.445 3.149 20 10 DGCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCCCC1 ZINC000731847136 574560374 /nfs/dbraw/zinc/56/03/74/574560374.db2.gz DMIFBYNEYNIHIX-UHFFFAOYSA-N 0 3 316.445 3.149 20 10 DGCDHN CN(C)CCOc1ccc(N(C)Cc2ccc(F)cc2)cc1 ZINC000732410941 574574069 /nfs/dbraw/zinc/57/40/69/574574069.db2.gz OIWWEWJCKFUNJE-UHFFFAOYSA-N 0 3 302.393 3.403 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCN(Cc3ccsc3)CC2)c1 ZINC000732556662 574575993 /nfs/dbraw/zinc/57/59/93/574575993.db2.gz VFTQEMFIZPRPQA-UHFFFAOYSA-N 0 3 316.470 3.388 20 10 DGCDHN C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000734477170 574664013 /nfs/dbraw/zinc/66/40/13/574664013.db2.gz LWCCUDCUOUJOFF-ZFWWWQNUSA-N 0 3 311.381 3.499 20 10 DGCDHN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000734477170 574664014 /nfs/dbraw/zinc/66/40/14/574664014.db2.gz LWCCUDCUOUJOFF-ZFWWWQNUSA-N 0 3 311.381 3.499 20 10 DGCDHN C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000734477167 574664081 /nfs/dbraw/zinc/66/40/81/574664081.db2.gz LWCCUDCUOUJOFF-DZGCQCFKSA-N 0 3 311.381 3.499 20 10 DGCDHN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000734477167 574664084 /nfs/dbraw/zinc/66/40/84/574664084.db2.gz LWCCUDCUOUJOFF-DZGCQCFKSA-N 0 3 311.381 3.499 20 10 DGCDHN CCCCCCN(C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000734558383 574667210 /nfs/dbraw/zinc/66/72/10/574667210.db2.gz RXDZTOZFOFDMDK-UHFFFAOYSA-N 0 3 319.493 3.189 20 10 DGCDHN CC(C)[C@@H]1CN(C)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000738285878 574864513 /nfs/dbraw/zinc/86/45/13/574864513.db2.gz QDXSTYFTHXWTFJ-INIZCTEOSA-N 0 3 320.477 3.167 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@](C)(CO)C2CCCCC2)c([O-])c1 ZINC000740014068 574918391 /nfs/dbraw/zinc/91/83/91/574918391.db2.gz LXQIQIDZXMEONY-SFHVURJKSA-N 0 3 307.434 3.212 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([O-])c1 ZINC000742376743 574994044 /nfs/dbraw/zinc/99/40/44/574994044.db2.gz FJLRSSBCZRIORU-USXIJHARSA-N 0 3 305.418 3.084 20 10 DGCDHN CCOC(=O)CC[N@@H+](Cc1cc(C)c(C)cc1[O-])CC1CC1 ZINC000743356490 575045790 /nfs/dbraw/zinc/04/57/90/575045790.db2.gz BSYQNTRUVBHONQ-UHFFFAOYSA-N 0 3 305.418 3.174 20 10 DGCDHN CCOC(=O)CC[N@H+](Cc1cc(C)c(C)cc1[O-])CC1CC1 ZINC000743356490 575045791 /nfs/dbraw/zinc/04/57/91/575045791.db2.gz BSYQNTRUVBHONQ-UHFFFAOYSA-N 0 3 305.418 3.174 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC000746134255 575435150 /nfs/dbraw/zinc/43/51/50/575435150.db2.gz OWRPMJCLPAIYFO-HOTGVXAUSA-N 0 3 317.477 3.022 20 10 DGCDHN CCc1cc(CN(CCOC)CCOC)c(O)c(C(C)(C)C)c1 ZINC000747449192 575517947 /nfs/dbraw/zinc/51/79/47/575517947.db2.gz KPLKTRKCVBFEJG-UHFFFAOYSA-N 0 3 323.477 3.347 20 10 DGCDHN COc1cc(C)cc(CN(C)CCOc2ccccc2F)c1O ZINC000748050734 575559113 /nfs/dbraw/zinc/55/91/13/575559113.db2.gz ATERNVKUFZBXAA-UHFFFAOYSA-N 0 3 319.376 3.359 20 10 DGCDHN CN(C)c1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000748246289 575574827 /nfs/dbraw/zinc/57/48/27/575574827.db2.gz LRQNPRUHJILZER-KRWDZBQOSA-N 0 3 300.450 3.363 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c([O-])c1 ZINC000749114607 575627758 /nfs/dbraw/zinc/62/77/58/575627758.db2.gz FTKZPNAQOYUZHN-XIKOKIGWSA-N 0 3 319.376 3.142 20 10 DGCDHN COc1ccc(CNCc2ccc([S@](C)=O)cc2)cc1C ZINC000751991558 575816913 /nfs/dbraw/zinc/81/69/13/575816913.db2.gz WAQDBWXFHFXGHP-NRFANRHFSA-N 0 3 303.427 3.031 20 10 DGCDHN C[C@H](Cn1ccnc1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725847038 575929020 /nfs/dbraw/zinc/92/90/20/575929020.db2.gz BGLXTMRFFXWTJA-OAHLLOKOSA-N 0 3 307.397 3.434 20 10 DGCDHN CCN(CC)C(=O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725848389 575929704 /nfs/dbraw/zinc/92/97/04/575929704.db2.gz QTTVHZGXMGVUHT-UHFFFAOYSA-N 0 3 312.413 3.017 20 10 DGCDHN COC[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000739868797 576037861 /nfs/dbraw/zinc/03/78/61/576037861.db2.gz FMHUFPFTOSLMKM-CYBMUJFWSA-N 0 3 301.386 3.022 20 10 DGCDHN COC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000739868797 576037862 /nfs/dbraw/zinc/03/78/62/576037862.db2.gz FMHUFPFTOSLMKM-CYBMUJFWSA-N 0 3 301.386 3.022 20 10 DGCDHN CC(=O)N1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000727644826 576135388 /nfs/dbraw/zinc/13/53/88/576135388.db2.gz SYQWWLDRKWZZNC-UHFFFAOYSA-N 0 3 324.424 3.160 20 10 DGCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3ccns3)C2)cc1 ZINC000926679413 618085152 /nfs/dbraw/zinc/08/51/52/618085152.db2.gz DYKGPTOPASQCAB-OLZOCXBDSA-N 0 3 303.431 3.081 20 10 DGCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3ccns3)C2)cc1 ZINC000926679412 618085531 /nfs/dbraw/zinc/08/55/31/618085531.db2.gz DYKGPTOPASQCAB-CHWSQXEVSA-N 0 3 303.431 3.081 20 10 DGCDHN CCCCCCN(C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000111608341 620741007 /nfs/dbraw/zinc/74/10/07/620741007.db2.gz GRJCTEGBRYNFEJ-CQSZACIVSA-N 0 3 322.449 3.090 20 10 DGCDHN CN(C)c1ccc([C@@H](CNC(=O)CCC2CCC2)N(C)C)cc1 ZINC000891254504 617761081 /nfs/dbraw/zinc/76/10/81/617761081.db2.gz YLYYAFFCTQAOMB-GOSISDBHSA-N 0 3 317.477 3.052 20 10 DGCDHN COc1cccc(CN(C)Cc2ccc(OC)c(OC)c2O)c1 ZINC000891470253 617810330 /nfs/dbraw/zinc/81/03/30/617810330.db2.gz LKJVFRIJEGFTEV-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN COc1ccc(CN2CCC[C@@H]2c2cccn2C)c(O)c1OC ZINC000891503771 617818006 /nfs/dbraw/zinc/81/80/06/617818006.db2.gz WEIBXMOFYWCQNY-OAHLLOKOSA-N 0 3 316.401 3.085 20 10 DGCDHN COc1ccc(CN(Cc2ccccn2)C(C)C)c(O)c1OC ZINC000891743465 617887313 /nfs/dbraw/zinc/88/73/13/617887313.db2.gz DONQNERLXJPXJR-UHFFFAOYSA-N 0 3 316.401 3.215 20 10 DGCDHN CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840889846 618144342 /nfs/dbraw/zinc/14/43/42/618144342.db2.gz IUXAXALYSRXJPA-HOTGVXAUSA-N 0 3 317.477 3.241 20 10 DGCDHN C[C@H](NCC12CC(C1)C[NH2+]2)c1cc(Cl)c(Cl)cc1[O-] ZINC000854228445 620786537 /nfs/dbraw/zinc/78/65/37/620786537.db2.gz WIMLJZYQJBTQRM-JUXJKVCFSA-N 0 3 301.217 3.102 20 10 DGCDHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(N(C)C)cc1 ZINC000920258067 620793087 /nfs/dbraw/zinc/79/30/87/620793087.db2.gz GLCBVKLWUHFVEL-NJAFHUGGSA-N 0 3 316.445 3.059 20 10 DGCDHN COCC[C@H](NCc1cc(C)cc(OC)c1O)c1ccco1 ZINC000894430417 618325831 /nfs/dbraw/zinc/32/58/31/618325831.db2.gz FCUCWVITGWSEND-AWEZNQCLSA-N 0 3 305.374 3.170 20 10 DGCDHN COc1ccc(CNCc2cccc(C)c2OC)c(O)c1OC ZINC000895209685 618574965 /nfs/dbraw/zinc/57/49/65/618574965.db2.gz YKYZFMSXEWPIOA-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN COC1(C(F)(F)F)CCN(Cc2cc(F)ccc2O)CC1 ZINC000841888366 618603912 /nfs/dbraw/zinc/60/39/12/618603912.db2.gz IALDUNYRUWIJBY-UHFFFAOYSA-N 0 3 307.287 3.075 20 10 DGCDHN CCC(CC)Nc1ccncc1NC(=O)C1=CC(=O)CS1 ZINC000854578774 620819848 /nfs/dbraw/zinc/81/98/48/620819848.db2.gz SZYHCSNIVKXPDY-UHFFFAOYSA-N 0 3 305.403 3.123 20 10 DGCDHN COc1cc(C)cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000894192387 618726364 /nfs/dbraw/zinc/72/63/64/618726364.db2.gz BJWNVCYSUYXSSX-GFCCVEGCSA-N 0 3 316.357 3.468 20 10 DGCDHN COc1ccc(CNCc2cc(C)cc(OC)c2O)c(OC)c1 ZINC000894194759 618726807 /nfs/dbraw/zinc/72/68/07/618726807.db2.gz DPVMYYABMFEPRY-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN CN(C)c1ccc(CN2CCC3(CCCCO3)CC2)cc1F ZINC000895654073 618812614 /nfs/dbraw/zinc/81/26/14/618812614.db2.gz NXAOBKBHDBEMIO-UHFFFAOYSA-N 0 3 306.425 3.427 20 10 DGCDHN CN(CCCF)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000895898552 618847175 /nfs/dbraw/zinc/84/71/75/618847175.db2.gz XEBMRXIPUAZSCR-UHFFFAOYSA-N 0 3 309.385 3.377 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896810593 618964089 /nfs/dbraw/zinc/96/40/89/618964089.db2.gz WVYJBYRELMMVDV-FZMZJTMJSA-N 0 3 303.324 3.290 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615774 619167256 /nfs/dbraw/zinc/16/72/56/619167256.db2.gz FAENBQMGMPTQHS-GFCCVEGCSA-N 0 3 323.318 3.191 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615774 619167258 /nfs/dbraw/zinc/16/72/58/619167258.db2.gz FAENBQMGMPTQHS-GFCCVEGCSA-N 0 3 323.318 3.191 20 10 DGCDHN CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2)n1 ZINC000927050913 619260445 /nfs/dbraw/zinc/26/04/45/619260445.db2.gz VSGSEMHXCOOTQY-UPJWGTAASA-N 0 3 301.390 3.325 20 10 DGCDHN C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000128989878 625363465 /nfs/dbraw/zinc/36/34/65/625363465.db2.gz AZKMHGBGBONELI-KXBFYZLASA-N 0 3 323.440 3.209 20 10 DGCDHN C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000128990105 625364042 /nfs/dbraw/zinc/36/40/42/625364042.db2.gz AZKMHGBGBONELI-BEFAXECRSA-N 0 3 323.440 3.209 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(Cl)cc1[O-] ZINC000903196605 619734419 /nfs/dbraw/zinc/73/44/19/619734419.db2.gz BMQUFZRQFGCAKM-LLVKDONJSA-N 0 3 305.809 3.357 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(c3ccccc3)C[C@@H](O)C1)CC2 ZINC000903269583 619749673 /nfs/dbraw/zinc/74/96/73/619749673.db2.gz BMVSZHAZKUNVIX-MBOZVWFJSA-N 0 3 309.409 3.062 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnn(CCF)c2)c1[O-] ZINC000903273649 619750581 /nfs/dbraw/zinc/75/05/81/619750581.db2.gz BXJAFUGBFWRRLF-LLVKDONJSA-N 0 3 311.788 3.371 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cnn(CCF)c2)c2c1c(F)ccc2[O-] ZINC000903274428 619750618 /nfs/dbraw/zinc/75/06/18/619750618.db2.gz MBTVXDJQHPNGBZ-MFKMUULPSA-N 0 3 307.344 3.035 20 10 DGCDHN C[C@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000903312298 619758100 /nfs/dbraw/zinc/75/81/00/619758100.db2.gz YQVFQDALIQHCSE-QAPCUYQASA-N 0 3 301.361 3.016 20 10 DGCDHN CO[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCSC1 ZINC000903314737 619758377 /nfs/dbraw/zinc/75/83/77/619758377.db2.gz PFCQFSMYCOVKDN-PKWAYOAASA-N 0 3 311.422 3.191 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@H]2C)c1[O-] ZINC000903395295 619767047 /nfs/dbraw/zinc/76/70/47/619767047.db2.gz KUCGXPACSSGDRB-NRUUGDAUSA-N 0 3 314.223 3.149 20 10 DGCDHN Cc1cc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000903449642 619778576 /nfs/dbraw/zinc/77/85/76/619778576.db2.gz YYANMBCZEXWNKR-KDOFPFPSSA-N 0 3 316.449 3.003 20 10 DGCDHN Cc1cc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000903449643 619778714 /nfs/dbraw/zinc/77/87/14/619778714.db2.gz YYANMBCZEXWNKR-KSSFIOAISA-N 0 3 316.449 3.003 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@H](C)CC3)c2c1 ZINC000905740042 620024810 /nfs/dbraw/zinc/02/48/10/620024810.db2.gz PXTAFNOMZOIFLM-CYBMUJFWSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@H](C)CC3)c2c1 ZINC000905740042 620024813 /nfs/dbraw/zinc/02/48/13/620024813.db2.gz PXTAFNOMZOIFLM-CYBMUJFWSA-N 0 3 301.386 3.165 20 10 DGCDHN COC(=O)c1cc2ccccc2c(C[NH+]2C3CCC2CC3)c1[O-] ZINC000912788346 620406463 /nfs/dbraw/zinc/40/64/63/620406463.db2.gz BIZUNRKYUMMENU-UHFFFAOYSA-N 0 3 311.381 3.459 20 10 DGCDHN COc1cc(OC)c(OC)cc1CNCc1cc(C)ccc1O ZINC000113314333 620900548 /nfs/dbraw/zinc/90/05/48/620900548.db2.gz BUXNQZZVVSDXMK-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN CCc1[nH]nc(Cl)c1CNCCCSc1nccs1 ZINC000921754504 620944684 /nfs/dbraw/zinc/94/46/84/620944684.db2.gz MBYXKCBQOXKPEX-UHFFFAOYSA-N 0 3 316.883 3.354 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cnn(C3CCC3)c2)c1 ZINC000922215672 621007155 /nfs/dbraw/zinc/00/71/55/621007155.db2.gz DNZDSJARZWTEDB-LBPRGKRZSA-N 0 3 301.390 3.173 20 10 DGCDHN CN(C)c1ccnc(CNCc2ccc(N3CCCCC3)cc2)c1 ZINC000922480777 621042245 /nfs/dbraw/zinc/04/22/45/621042245.db2.gz LZSMQOLWFRYNBK-UHFFFAOYSA-N 0 3 324.472 3.428 20 10 DGCDHN Cn1cnc2cc(CNCc3ccc4c(c3)CCCO4)ccc21 ZINC000922479801 621044282 /nfs/dbraw/zinc/04/42/82/621044282.db2.gz DHIVAUYHUBVHRN-UHFFFAOYSA-N 0 3 307.397 3.188 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000922973350 621142057 /nfs/dbraw/zinc/14/20/57/621142057.db2.gz VOSDRKKVMLMQMB-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN COc1cccc(O)c1CNCc1ccc(OC)c(OC)c1C ZINC000922973350 621142060 /nfs/dbraw/zinc/14/20/60/621142060.db2.gz VOSDRKKVMLMQMB-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN CN(C)c1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1F ZINC000922990576 621145125 /nfs/dbraw/zinc/14/51/25/621145125.db2.gz PYODUFKWDFFMSY-MOPGFXCFSA-N 0 3 314.404 3.030 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@H](C2CC2)[C@H]2CCCCO2)cc1F ZINC000858186093 621162508 /nfs/dbraw/zinc/16/25/08/621162508.db2.gz QJBITCUVFHWASS-QZTJIDSGSA-N 0 3 324.415 3.468 20 10 DGCDHN COc1cc(OC)c(CNCc2cc(C)ccc2O)cc1F ZINC000858239776 621167195 /nfs/dbraw/zinc/16/71/95/621167195.db2.gz TUAANRIGWRNYDS-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN Cc1ccc(O)c(CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858239262 621167237 /nfs/dbraw/zinc/16/72/37/621167237.db2.gz KOIFDBSRCHIYOI-UHFFFAOYSA-N 0 3 306.356 3.335 20 10 DGCDHN COc1ccc(CNCc2ccc(N(C)C(C)=O)cc2)cc1C ZINC000858248874 621168326 /nfs/dbraw/zinc/16/83/26/621168326.db2.gz KCUXWOZHLPBQOD-UHFFFAOYSA-N 0 3 312.413 3.276 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccccc1[O-] ZINC000858448593 621192340 /nfs/dbraw/zinc/19/23/40/621192340.db2.gz DHKOVOAPOFVJKR-TZMCWYRMSA-N 0 3 313.323 3.433 20 10 DGCDHN C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(F)ccc1[O-] ZINC000858452549 621192897 /nfs/dbraw/zinc/19/28/97/621192897.db2.gz LPTDKJSYPCCLEZ-MRVPVSSYSA-N 0 3 317.286 3.134 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccccc1[O-] ZINC000858540009 621203197 /nfs/dbraw/zinc/20/31/97/621203197.db2.gz SKEYSRQASARJSI-AWEZNQCLSA-N 0 3 312.369 3.078 20 10 DGCDHN COc1ccc(CN(C)Cc2cc3c(cc2O)OCO3)cc1C ZINC000103134316 621264495 /nfs/dbraw/zinc/26/44/95/621264495.db2.gz GYDDNNBFUBBWEI-UHFFFAOYSA-N 0 3 315.369 3.070 20 10 DGCDHN COC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753571117 621449586 /nfs/dbraw/zinc/44/95/86/621449586.db2.gz NEGFQIBVHZEZBL-CQSZACIVSA-N 0 3 301.386 3.096 20 10 DGCDHN C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753571778 621450111 /nfs/dbraw/zinc/45/01/11/621450111.db2.gz XNDNPWROZYQONY-CABCVRRESA-N 0 3 315.413 3.220 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](O)CCc2ccccc2)c1[O-] ZINC000753594398 621452820 /nfs/dbraw/zinc/45/28/20/621452820.db2.gz LRSAEGNLBDJFEG-QGZVFWFLSA-N 0 3 319.832 3.437 20 10 DGCDHN COc1ccc(N2CCN(Cc3ccccc3C)CC2)cc1F ZINC000753857897 621469187 /nfs/dbraw/zinc/46/91/87/621469187.db2.gz QPMKPYOMWGFBAM-UHFFFAOYSA-N 0 3 314.404 3.465 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000862253102 621568237 /nfs/dbraw/zinc/56/82/37/621568237.db2.gz IQZWHLUSIDGSKW-ZIAGYGMSSA-N 0 3 324.415 3.279 20 10 DGCDHN COc1cc(O)c(CN2CC(Cc3cccs3)C2)cc1OC ZINC000862538179 621598368 /nfs/dbraw/zinc/59/83/68/621598368.db2.gz NQXZEZMADDOEFB-UHFFFAOYSA-N 0 3 319.426 3.145 20 10 DGCDHN COc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)ccn1 ZINC000756402761 621635549 /nfs/dbraw/zinc/63/55/49/621635549.db2.gz YKGBQBNQSJKSHG-GWCFXTLKSA-N 0 3 302.349 3.273 20 10 DGCDHN CCN(CC)C(=O)CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756415884 621636829 /nfs/dbraw/zinc/63/68/29/621636829.db2.gz LTNUOLDRJOCPGU-OCCSQVGLSA-N 0 3 322.424 3.318 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCC(C)CC2)c2c1c(F)ccc2[O-] ZINC000756412950 621636881 /nfs/dbraw/zinc/63/68/81/621636881.db2.gz WMNGUPHMIWKGCM-UKRRQHHQSA-N 0 3 306.425 3.401 20 10 DGCDHN Cc1nccn1CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756434016 621638209 /nfs/dbraw/zinc/63/82/09/621638209.db2.gz SWALXXVXFWHSDJ-SMDDNHRTSA-N 0 3 303.381 3.264 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2c(C)cc(C)nc2OC)c1 ZINC000756536192 621645889 /nfs/dbraw/zinc/64/58/89/621645889.db2.gz RFUSVSXEOTXFOI-CYBMUJFWSA-N 0 3 316.401 3.272 20 10 DGCDHN CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756545725 621646550 /nfs/dbraw/zinc/64/65/50/621646550.db2.gz OWFDCATVSIKMCA-CHWSQXEVSA-N 0 3 312.404 3.441 20 10 DGCDHN CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756545728 621646569 /nfs/dbraw/zinc/64/65/69/621646569.db2.gz OWFDCATVSIKMCA-OLZOCXBDSA-N 0 3 312.404 3.441 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000756607148 621652879 /nfs/dbraw/zinc/65/28/79/621652879.db2.gz ZJDNFGTUBQUOTL-VNHYZAJKSA-N 0 3 323.408 3.112 20 10 DGCDHN C[C@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756653818 621656166 /nfs/dbraw/zinc/65/61/66/621656166.db2.gz HDTJTWQPBFDWFW-CQDKDKBSSA-N 0 3 301.361 3.403 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000756741847 621661941 /nfs/dbraw/zinc/66/19/41/621661941.db2.gz XQDLROJHZYSICU-PSLIRLAXSA-N 0 3 311.303 3.194 20 10 DGCDHN COC[C@H](Cc1ccccc1)[N@H+](C)Cc1c([O-])cccc1OC ZINC000789584022 625530117 /nfs/dbraw/zinc/53/01/17/625530117.db2.gz BJBSZTKWOCCTJW-INIZCTEOSA-N 0 3 315.413 3.090 20 10 DGCDHN COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c([O-])cccc1OC ZINC000789584022 625530123 /nfs/dbraw/zinc/53/01/23/625530123.db2.gz BJBSZTKWOCCTJW-INIZCTEOSA-N 0 3 315.413 3.090 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865603826 621960040 /nfs/dbraw/zinc/96/00/40/621960040.db2.gz NAPCSSLUYDDHPS-OAHLLOKOSA-N 0 3 312.461 3.313 20 10 DGCDHN C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccccc1[O-] ZINC000865771686 621992351 /nfs/dbraw/zinc/99/23/51/621992351.db2.gz MWALURDFDIUPIW-QGZVFWFLSA-N 0 3 305.805 3.129 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)c2ccncc2)c1[O-] ZINC000761206543 621994356 /nfs/dbraw/zinc/99/43/56/621994356.db2.gz JUVDFKNMDIRMBH-NSHDSACASA-N 0 3 306.793 3.343 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1[O-] ZINC000866446046 622119935 /nfs/dbraw/zinc/11/99/35/622119935.db2.gz OEFISODGUZYHMV-GRPBGDFSSA-N 0 3 307.821 3.428 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(F)ccc1[O-] ZINC000866477752 622124287 /nfs/dbraw/zinc/12/42/87/622124287.db2.gz BMPUKVSKOOZOIB-GFCCVEGCSA-N 0 3 301.361 3.455 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1[O-] ZINC000866489454 622126469 /nfs/dbraw/zinc/12/64/69/622126469.db2.gz NVVZAMHDIXHAIK-ICCXJUOJSA-N 0 3 314.223 3.027 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccccc1[O-] ZINC000866533739 622134054 /nfs/dbraw/zinc/13/40/54/622134054.db2.gz VAHWVORBKSNPDO-GDBMZVCRSA-N 0 3 305.418 3.019 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nccc32)c2c1c(F)ccc2[O-] ZINC000866634500 622150806 /nfs/dbraw/zinc/15/08/06/622150806.db2.gz ROYHNIAZFLXLCE-WXHSDQCUSA-N 0 3 301.365 3.401 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000764984842 622237713 /nfs/dbraw/zinc/23/77/13/622237713.db2.gz ZIVPCQCYNNTCQE-KRWDZBQOSA-N 0 3 321.804 3.052 20 10 DGCDHN C[C@@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[S@@](C)=O ZINC000765287120 622256816 /nfs/dbraw/zinc/25/68/16/622256816.db2.gz SARODSSTLINOAC-RCDICMHDSA-N 0 3 317.454 3.306 20 10 DGCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000122264559 622274218 /nfs/dbraw/zinc/27/42/18/622274218.db2.gz QALNASJPXJUINW-UHFFFAOYSA-N 0 3 323.440 3.469 20 10 DGCDHN CCOc1ccc(C[N@H+](CCOC)Cc2ccccc2)c([O-])c1 ZINC000768161282 622442806 /nfs/dbraw/zinc/44/28/06/622442806.db2.gz UXHFMMIXKNYKFM-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN CCOc1ccc(C[N@@H+](CCOC)Cc2ccccc2)c([O-])c1 ZINC000768161282 622442807 /nfs/dbraw/zinc/44/28/07/622442807.db2.gz UXHFMMIXKNYKFM-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN CN(Cc1cnn(C)c1)Cc1cc(-c2ccccc2)ccc1O ZINC000768198456 622444869 /nfs/dbraw/zinc/44/48/69/622444869.db2.gz AZONYNZXXQTEOE-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN COc1cccc(O)c1CN1CCN(c2cccc(C)c2)CC1 ZINC000768214772 622446245 /nfs/dbraw/zinc/44/62/45/622446245.db2.gz PJACNDAIIGLLBI-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]2CCCC[C@@H]12 ZINC000768439151 622456098 /nfs/dbraw/zinc/45/60/98/622456098.db2.gz ILEWYCVLSXVEGR-XJOINEQPSA-N 0 3 317.429 3.219 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]2CCCC[C@@H]12 ZINC000768439151 622456099 /nfs/dbraw/zinc/45/60/99/622456099.db2.gz ILEWYCVLSXVEGR-XJOINEQPSA-N 0 3 317.429 3.219 20 10 DGCDHN CCOc1ccc(CN2CCC[C@H]2c2cc(C)no2)c(O)c1 ZINC000768878272 622482805 /nfs/dbraw/zinc/48/28/05/622482805.db2.gz LCZVSQPIAUNZNO-HNNXBMFYSA-N 0 3 302.374 3.424 20 10 DGCDHN COc1ccc(CN(C)Cc2c(O)cccc2OC)cc1C ZINC000769231729 622509618 /nfs/dbraw/zinc/50/96/18/622509618.db2.gz CVTDJDJUEMQUPR-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000769233952 622509734 /nfs/dbraw/zinc/50/97/34/622509734.db2.gz RZQJATCEXZQPKA-MRXNPFEDSA-N 0 3 308.853 3.496 20 10 DGCDHN CCN(CC)c1ccc(CN2CCCC[C@H]2C2OCCO2)cc1 ZINC000769301147 622514966 /nfs/dbraw/zinc/51/49/66/622514966.db2.gz MDLZUJCFKNZBEJ-SFHVURJKSA-N 0 3 318.461 3.260 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1[O-] ZINC000769471429 622530710 /nfs/dbraw/zinc/53/07/10/622530710.db2.gz UHPUGHQVPKIPNE-ZJUUUORDSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c1[O-] ZINC000769471429 622530716 /nfs/dbraw/zinc/53/07/16/622530716.db2.gz UHPUGHQVPKIPNE-ZJUUUORDSA-N 0 3 314.223 3.394 20 10 DGCDHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000769686882 622549284 /nfs/dbraw/zinc/54/92/84/622549284.db2.gz KFXXZXAAMXTIAA-QWHCGFSZSA-N 0 3 308.422 3.174 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccsc2)c2c1c(F)ccc2[O-] ZINC000769990654 622587086 /nfs/dbraw/zinc/58/70/86/622587086.db2.gz VUEFMRMRDPGDHF-JIMOISOXSA-N 0 3 307.390 3.464 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000770319735 622621544 /nfs/dbraw/zinc/62/15/44/622621544.db2.gz BGCYEBNKSIWDPJ-BBRMVZONSA-N 0 3 317.385 3.082 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000770319735 622621549 /nfs/dbraw/zinc/62/15/49/622621549.db2.gz BGCYEBNKSIWDPJ-BBRMVZONSA-N 0 3 317.385 3.082 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000770375005 622627313 /nfs/dbraw/zinc/62/73/13/622627313.db2.gz PPTGMSRIDAEECC-ZBFHGGJFSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000770375005 622627315 /nfs/dbraw/zinc/62/73/15/622627315.db2.gz PPTGMSRIDAEECC-ZBFHGGJFSA-N 0 3 305.418 3.039 20 10 DGCDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC000770504547 622640489 /nfs/dbraw/zinc/64/04/89/622640489.db2.gz IZLISEHPMQFEJR-KGLIPLIRSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC000770504547 622640494 /nfs/dbraw/zinc/64/04/94/622640494.db2.gz IZLISEHPMQFEJR-KGLIPLIRSA-N 0 3 320.433 3.127 20 10 DGCDHN CCCCCC[N@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000770510865 622641591 /nfs/dbraw/zinc/64/15/91/622641591.db2.gz STDXSARPSWUSPZ-UHFFFAOYSA-N 0 3 320.477 3.107 20 10 DGCDHN CCCCCC[N@@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000770510865 622641594 /nfs/dbraw/zinc/64/15/94/622641594.db2.gz STDXSARPSWUSPZ-UHFFFAOYSA-N 0 3 320.477 3.107 20 10 DGCDHN C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cc(F)ccc1[O-] ZINC000872109240 622811874 /nfs/dbraw/zinc/81/18/74/622811874.db2.gz JKHMPFJDPJYMQR-SECBINFHSA-N 0 3 317.286 3.097 20 10 DGCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000771934834 622820225 /nfs/dbraw/zinc/82/02/25/622820225.db2.gz BCHIAVMNQLOJGT-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000771934834 622820230 /nfs/dbraw/zinc/82/02/30/622820230.db2.gz BCHIAVMNQLOJGT-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN c1ccc([C@@H]2CCN2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000771939301 622821286 /nfs/dbraw/zinc/82/12/86/622821286.db2.gz PUHFCWNJXOGHEB-FQEVSTJZSA-N 0 3 308.425 3.470 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)CC2 ZINC000872129182 622824050 /nfs/dbraw/zinc/82/40/50/622824050.db2.gz VWBJZZHCAPSVRS-JKSUJKDBSA-N 0 3 317.816 3.226 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@@H](CO)CC(F)(F)F)cc1 ZINC000773108303 622985506 /nfs/dbraw/zinc/98/55/06/622985506.db2.gz WAGLRRNQTQIFOO-WCQYABFASA-N 0 3 304.356 3.107 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774484880 623151091 /nfs/dbraw/zinc/15/10/91/623151091.db2.gz SXAWVHWDDSXCFS-ZNMIVQPWSA-N 0 3 305.466 3.097 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774484878 623151178 /nfs/dbraw/zinc/15/11/78/623151178.db2.gz SXAWVHWDDSXCFS-SOUVJXGZSA-N 0 3 305.466 3.097 20 10 DGCDHN C[C@@H](N[C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000774483374 623151243 /nfs/dbraw/zinc/15/12/43/623151243.db2.gz KEFFLRHSIQTKHT-CVEARBPZSA-N 0 3 317.477 3.050 20 10 DGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1 ZINC000774486730 623151696 /nfs/dbraw/zinc/15/16/96/623151696.db2.gz XMDRHKHZNRUSFV-HOTGVXAUSA-N 0 3 317.477 3.194 20 10 DGCDHN C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000775129962 623233922 /nfs/dbraw/zinc/23/39/22/623233922.db2.gz JBAIGKQMKFLOMP-LBPRGKRZSA-N 0 3 302.330 3.030 20 10 DGCDHN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000775201509 623241139 /nfs/dbraw/zinc/24/11/39/623241139.db2.gz QSOISXQMFSLWOO-INIZCTEOSA-N 0 3 305.805 3.486 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c([O-])c1 ZINC000775328328 623254749 /nfs/dbraw/zinc/25/47/49/623254749.db2.gz LBBNOXFWDQCLKB-UHFFFAOYSA-N 0 3 315.413 3.308 20 10 DGCDHN CCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)nc1 ZINC000775370738 623261127 /nfs/dbraw/zinc/26/11/27/623261127.db2.gz PVMHBHMIZOKBOY-GFCCVEGCSA-N 0 3 302.374 3.045 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccccc1CC(=O)OC)c1ccccc1[O-] ZINC000775416661 623272470 /nfs/dbraw/zinc/27/24/70/623272470.db2.gz WCZOFVVIXXZBDY-QGZVFWFLSA-N 0 3 313.397 3.349 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccccc1CC(=O)OC)c1ccccc1[O-] ZINC000775416660 623272733 /nfs/dbraw/zinc/27/27/33/623272733.db2.gz WCZOFVVIXXZBDY-KRWDZBQOSA-N 0 3 313.397 3.349 20 10 DGCDHN CC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1[O-] ZINC000775504320 623281373 /nfs/dbraw/zinc/28/13/73/623281373.db2.gz XKDWXNWWDHYGRK-WMZOPIPTSA-N 0 3 318.461 3.076 20 10 DGCDHN CC[C@@H]([NH2+]CC(C)(C)N1CCC(OC)CC1)c1ccccc1[O-] ZINC000775503571 623281406 /nfs/dbraw/zinc/28/14/06/623281406.db2.gz JLRCDVMIPQZUAM-QGZVFWFLSA-N 0 3 320.477 3.322 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000775554957 623288403 /nfs/dbraw/zinc/28/84/03/623288403.db2.gz QDPRQKHYKWTPDS-JGGQBBKZSA-N 0 3 315.388 3.273 20 10 DGCDHN CN1CCCC[C@@H]1CC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717053 623318116 /nfs/dbraw/zinc/31/81/16/623318116.db2.gz QKLGDDRDWJNDTD-CQSZACIVSA-N 0 3 314.832 3.491 20 10 DGCDHN CN1CCCC[C@@H]1CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717053 623318119 /nfs/dbraw/zinc/31/81/19/623318119.db2.gz QKLGDDRDWJNDTD-CQSZACIVSA-N 0 3 314.832 3.491 20 10 DGCDHN CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717053 623318125 /nfs/dbraw/zinc/31/81/25/623318125.db2.gz QKLGDDRDWJNDTD-CQSZACIVSA-N 0 3 314.832 3.491 20 10 DGCDHN CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717053 623318129 /nfs/dbraw/zinc/31/81/29/623318129.db2.gz QKLGDDRDWJNDTD-CQSZACIVSA-N 0 3 314.832 3.491 20 10 DGCDHN CCCCC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830419 623338590 /nfs/dbraw/zinc/33/85/90/623338590.db2.gz IEVYQERJSDSZFT-HOTGVXAUSA-N 0 3 319.493 3.488 20 10 DGCDHN CC(C)C[C@H](C)N(C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837451 623339139 /nfs/dbraw/zinc/33/91/39/623339139.db2.gz SRCBKJJVHOJDGK-HOTGVXAUSA-N 0 3 319.493 3.296 20 10 DGCDHN C[C@@H](NCc1cn(C)nc1C(F)F)c1ccc(N(C)C)cc1 ZINC000775833007 623339302 /nfs/dbraw/zinc/33/93/02/623339302.db2.gz FFXBBHYICJEMDF-LLVKDONJSA-N 0 3 308.376 3.275 20 10 DGCDHN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775835105 623339644 /nfs/dbraw/zinc/33/96/44/623339644.db2.gz FHOOFAMXZYQRHT-OAHLLOKOSA-N 0 3 311.429 3.350 20 10 DGCDHN CCCN(CCC)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834181 623339777 /nfs/dbraw/zinc/33/97/77/623339777.db2.gz LEIXCONQSVTPRH-OAHLLOKOSA-N 0 3 305.466 3.052 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000777222791 623507353 /nfs/dbraw/zinc/50/73/53/623507353.db2.gz SRZJQZLHNQSSGR-SFHVURJKSA-N 0 3 320.396 3.098 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000777222791 623507358 /nfs/dbraw/zinc/50/73/58/623507358.db2.gz SRZJQZLHNQSSGR-SFHVURJKSA-N 0 3 320.396 3.098 20 10 DGCDHN CC[C@@](C)(C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC000876531418 623635445 /nfs/dbraw/zinc/63/54/45/623635445.db2.gz FXPVABHACSTLKH-AEFFLSMTSA-N 0 3 307.434 3.188 20 10 DGCDHN CC[C@@](C)(C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC000876531418 623635449 /nfs/dbraw/zinc/63/54/49/623635449.db2.gz FXPVABHACSTLKH-AEFFLSMTSA-N 0 3 307.434 3.188 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000876652451 623670485 /nfs/dbraw/zinc/67/04/85/623670485.db2.gz CUIJUKHCCCGFJX-CQSZACIVSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000876652451 623670487 /nfs/dbraw/zinc/67/04/87/623670487.db2.gz CUIJUKHCCCGFJX-CQSZACIVSA-N 0 3 320.433 3.047 20 10 DGCDHN CCCCCC(=O)NC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876657165 623672517 /nfs/dbraw/zinc/67/25/17/623672517.db2.gz KSBIKDRLRGOMEP-UHFFFAOYSA-N 0 3 318.461 3.362 20 10 DGCDHN CCOC(=O)CCC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876781225 623705315 /nfs/dbraw/zinc/70/53/15/623705315.db2.gz MYUBWNQCZSDDJM-UHFFFAOYSA-N 0 3 305.418 3.256 20 10 DGCDHN C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000778991585 623716986 /nfs/dbraw/zinc/71/69/86/623716986.db2.gz AQNPFXNPPHPUKK-NUJGCVRESA-N 0 3 319.445 3.188 20 10 DGCDHN C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000778991585 623716990 /nfs/dbraw/zinc/71/69/90/623716990.db2.gz AQNPFXNPPHPUKK-NUJGCVRESA-N 0 3 319.445 3.188 20 10 DGCDHN C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000778991587 623717232 /nfs/dbraw/zinc/71/72/32/623717232.db2.gz AQNPFXNPPHPUKK-RYRKJORJSA-N 0 3 319.445 3.188 20 10 DGCDHN C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000778991587 623717234 /nfs/dbraw/zinc/71/72/34/623717234.db2.gz AQNPFXNPPHPUKK-RYRKJORJSA-N 0 3 319.445 3.188 20 10 DGCDHN C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000779035395 623724038 /nfs/dbraw/zinc/72/40/38/623724038.db2.gz ZJAZMWONOHSJQV-KPZWWZAWSA-N 0 3 301.361 3.355 20 10 DGCDHN C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000779035395 623724042 /nfs/dbraw/zinc/72/40/42/623724042.db2.gz ZJAZMWONOHSJQV-KPZWWZAWSA-N 0 3 301.361 3.355 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)c1[O-] ZINC000779050361 623724655 /nfs/dbraw/zinc/72/46/55/623724655.db2.gz OUNVRXJUIJPOGJ-AXFHLTTASA-N 0 3 316.239 3.273 20 10 DGCDHN COC(=O)C(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000779431878 623769435 /nfs/dbraw/zinc/76/94/35/623769435.db2.gz GTEWWHZCCFIZGG-UHFFFAOYSA-N 0 3 313.397 3.348 20 10 DGCDHN CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779510023 623776018 /nfs/dbraw/zinc/77/60/18/623776018.db2.gz HWFHORNNFGDVHL-KRWDZBQOSA-N 0 3 303.377 3.304 20 10 DGCDHN CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779510023 623776020 /nfs/dbraw/zinc/77/60/20/623776020.db2.gz HWFHORNNFGDVHL-KRWDZBQOSA-N 0 3 303.377 3.304 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000877059325 623778628 /nfs/dbraw/zinc/77/86/28/623778628.db2.gz URWYMZIZOJUAHV-OAHLLOKOSA-N 0 3 320.433 3.094 20 10 DGCDHN COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877073702 623784064 /nfs/dbraw/zinc/78/40/64/623784064.db2.gz QSQBXBWLGHMXLZ-CQSZACIVSA-N 0 3 301.386 3.266 20 10 DGCDHN COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877073701 623784428 /nfs/dbraw/zinc/78/44/28/623784428.db2.gz QSQBXBWLGHMXLZ-AWEZNQCLSA-N 0 3 301.386 3.266 20 10 DGCDHN COc1ccc(COCC[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877133542 623800467 /nfs/dbraw/zinc/80/04/67/623800467.db2.gz KLYIMWNOKOJWRC-UHFFFAOYSA-N 0 3 301.386 3.016 20 10 DGCDHN COc1c(C)cnc(CN(C)Cc2c(C)cccc2O)c1C ZINC000877320332 623851278 /nfs/dbraw/zinc/85/12/78/623851278.db2.gz XYFGTBOGNNPLQU-UHFFFAOYSA-N 0 3 300.402 3.353 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000877377723 623862096 /nfs/dbraw/zinc/86/20/96/623862096.db2.gz WJFHWDJPPUGUHU-OAHLLOKOSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000877377723 623862105 /nfs/dbraw/zinc/86/21/05/623862105.db2.gz WJFHWDJPPUGUHU-OAHLLOKOSA-N 0 3 305.418 3.254 20 10 DGCDHN CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000877494095 623911301 /nfs/dbraw/zinc/91/13/01/623911301.db2.gz SNIPQBOFNIDZIW-LAJNKCICSA-N 0 3 315.350 3.213 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000877549424 623937237 /nfs/dbraw/zinc/93/72/37/623937237.db2.gz MWCUOYHGVIRJIH-UHFFFAOYSA-N 0 3 310.319 3.447 20 10 DGCDHN C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000790749126 625691946 /nfs/dbraw/zinc/69/19/46/625691946.db2.gz CUOZHEIQSXJFHJ-GFCCVEGCSA-N 0 3 312.404 3.443 20 10 DGCDHN O=C1C[C@@]2(CCN(Cc3ccccc3O)C2)Oc2ccccc21 ZINC000877590027 623953593 /nfs/dbraw/zinc/95/35/93/623953593.db2.gz WHGMTVMYCQCOJU-LJQANCHMSA-N 0 3 309.365 3.002 20 10 DGCDHN O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)Oc2ccccc21 ZINC000877590027 623953597 /nfs/dbraw/zinc/95/35/97/623953597.db2.gz WHGMTVMYCQCOJU-LJQANCHMSA-N 0 3 309.365 3.002 20 10 DGCDHN O=C1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)Oc2ccccc21 ZINC000877590027 623953599 /nfs/dbraw/zinc/95/35/99/623953599.db2.gz WHGMTVMYCQCOJU-LJQANCHMSA-N 0 3 309.365 3.002 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000877628302 623969826 /nfs/dbraw/zinc/96/98/26/623969826.db2.gz GKWZMICHDYOCDE-ZWKOTPCHSA-N 0 3 311.425 3.299 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000877628302 623969829 /nfs/dbraw/zinc/96/98/29/623969829.db2.gz GKWZMICHDYOCDE-ZWKOTPCHSA-N 0 3 311.425 3.299 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)c1[O-] ZINC000877670211 623985150 /nfs/dbraw/zinc/98/51/50/623985150.db2.gz JXGSZIJFHFMEBA-NSHDSACASA-N 0 3 313.825 3.233 20 10 DGCDHN CC(=O)Nc1cccc2c1CN(Cc1cccc(C)c1O)CC2 ZINC000877681361 623988843 /nfs/dbraw/zinc/98/88/43/623988843.db2.gz LNHXKBOQBZBELS-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@H]([C@@H](C)O)C2)cc1F ZINC000780892555 623994228 /nfs/dbraw/zinc/99/42/28/623994228.db2.gz LIIIWFFRTVURPZ-ZBFHGGJFSA-N 0 3 308.441 3.265 20 10 DGCDHN Cc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC000877694931 623994603 /nfs/dbraw/zinc/99/46/03/623994603.db2.gz UFRJSDINZSKNNO-UHFFFAOYSA-N 0 3 324.424 3.095 20 10 DGCDHN CCOC(=O)C1CCC([NH2+]Cc2ccc(OCC)cc2[O-])CC1 ZINC000877717322 624004381 /nfs/dbraw/zinc/00/43/81/624004381.db2.gz HUEYMAZWNHYGFY-UHFFFAOYSA-N 0 3 321.417 3.002 20 10 DGCDHN COc1cc(F)c(CN[C@H](C)c2ccccc2O)cc1OC ZINC000877755969 624022333 /nfs/dbraw/zinc/02/23/33/624022333.db2.gz VFZRMASDHYFYNJ-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H](C)c2ccccc2[O-])c1C ZINC000877758029 624024252 /nfs/dbraw/zinc/02/42/52/624024252.db2.gz DYGWRVBQXBVQPC-LBPRGKRZSA-N 0 3 316.401 3.365 20 10 DGCDHN CCc1cccc(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000877823615 624056605 /nfs/dbraw/zinc/05/66/05/624056605.db2.gz XLPYIQITJYACPJ-SMDDNHRTSA-N 0 3 317.351 3.496 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000878354269 624254234 /nfs/dbraw/zinc/25/42/34/624254234.db2.gz HSCJXBNLWQEAPG-CABCVRRESA-N 0 3 305.418 3.019 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccccc1[O-] ZINC000783504911 624359811 /nfs/dbraw/zinc/35/98/11/624359811.db2.gz OUDMKQRRPGJGHB-ZDUSSCGKSA-N 0 3 312.369 3.200 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000879648548 624621006 /nfs/dbraw/zinc/62/10/06/624621006.db2.gz SWICOOPWZOVMNF-VLIAUNLRSA-N 0 3 324.424 3.310 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1ccccc1[O-] ZINC000879648029 624621267 /nfs/dbraw/zinc/62/12/67/624621267.db2.gz WFZCLIXRWVWLAS-ZIAGYGMSSA-N 0 3 310.397 3.021 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccccc1[O-] ZINC000879648296 624621335 /nfs/dbraw/zinc/62/13/35/624621335.db2.gz IVAAZCJIEBKTRI-MNOVXSKESA-N 0 3 319.792 3.118 20 10 DGCDHN COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[O-])c(C)s1 ZINC000879648452 624621501 /nfs/dbraw/zinc/62/15/01/624621501.db2.gz PVLYZOFKWRYRHH-SNVBAGLBSA-N 0 3 305.399 3.400 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879647891 624621511 /nfs/dbraw/zinc/62/15/11/624621511.db2.gz PITCEMCBUKOSQC-HGTKMLMNSA-N 0 3 304.434 3.126 20 10 DGCDHN C[C@@H]([NH2+]CCOCCOc1ccccc1)c1ccccc1[O-] ZINC000879649329 624623052 /nfs/dbraw/zinc/62/30/52/624623052.db2.gz QOTLABZUBFYGCQ-OAHLLOKOSA-N 0 3 301.386 3.138 20 10 DGCDHN Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648779 624623122 /nfs/dbraw/zinc/62/31/22/624623122.db2.gz DLBAELGFDIWWKH-OAHLLOKOSA-N 0 3 312.413 3.010 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1ccccc1[O-] ZINC000879651482 624624075 /nfs/dbraw/zinc/62/40/75/624624075.db2.gz XOJQVWDLGFRYLS-AWEZNQCLSA-N 0 3 304.434 3.082 20 10 DGCDHN C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000879651620 624624550 /nfs/dbraw/zinc/62/45/50/624624550.db2.gz DQLWMFPMGKQPOV-ZDUSSCGKSA-N 0 3 315.369 3.241 20 10 DGCDHN CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652242 624626655 /nfs/dbraw/zinc/62/66/55/624626655.db2.gz XUPQGELEUCXTKD-ZDUSSCGKSA-N 0 3 314.385 3.080 20 10 DGCDHN CCOc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c([O-])c1 ZINC000786826723 624956783 /nfs/dbraw/zinc/95/67/83/624956783.db2.gz IOVRVRWYCSAWNO-UHFFFAOYSA-N 0 3 315.413 3.446 20 10 DGCDHN CCN1CCCN(Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000787418630 625008635 /nfs/dbraw/zinc/00/86/35/625008635.db2.gz YYRUNBOPWPRFBU-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN CCOc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1O ZINC000788841227 625279151 /nfs/dbraw/zinc/27/91/51/625279151.db2.gz SXDAXICNUQGUKX-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CC(C)(CNCc1c([O-])ccc(Cl)c1F)C[NH+]1CCCC1 ZINC000791011667 625737049 /nfs/dbraw/zinc/73/70/49/625737049.db2.gz VMCNYKKYXIZUAM-UHFFFAOYSA-N 0 3 314.832 3.396 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000796481521 626054810 /nfs/dbraw/zinc/05/48/10/626054810.db2.gz IAAFTRJZQYVTDW-LIRRHRJNSA-N 0 3 315.413 3.311 20 10 DGCDHN CCc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000797020635 626104921 /nfs/dbraw/zinc/10/49/21/626104921.db2.gz WMFNZMQCOSMQSU-KZULUSFZSA-N 0 3 303.377 3.478 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c([O-])c1 ZINC000797134658 626117377 /nfs/dbraw/zinc/11/73/77/626117377.db2.gz VJQXCGUMMNGERB-RCDICMHDSA-N 0 3 317.454 3.430 20 10 DGCDHN CN(CCC[N@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000797972983 626185893 /nfs/dbraw/zinc/18/58/93/626185893.db2.gz JJCFZEURKDIRTI-UHFFFAOYSA-N 0 3 308.422 3.081 20 10 DGCDHN CN(CCC[N@@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000797972983 626185894 /nfs/dbraw/zinc/18/58/94/626185894.db2.gz JJCFZEURKDIRTI-UHFFFAOYSA-N 0 3 308.422 3.081 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801530264 626408082 /nfs/dbraw/zinc/40/80/82/626408082.db2.gz ZVZFEGZICFDGNK-SNVBAGLBSA-N 0 3 320.320 3.299 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC1CCCC1 ZINC000801596565 626411193 /nfs/dbraw/zinc/41/11/93/626411193.db2.gz FTBKXTMPFAFTGK-OAHLLOKOSA-N 0 3 318.461 3.442 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC1CCCC1 ZINC000801596565 626411196 /nfs/dbraw/zinc/41/11/96/626411196.db2.gz FTBKXTMPFAFTGK-OAHLLOKOSA-N 0 3 318.461 3.442 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCCCC1 ZINC000801598630 626411683 /nfs/dbraw/zinc/41/16/83/626411683.db2.gz DHIVXQMAWYXCEU-INIZCTEOSA-N 0 3 318.461 3.395 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCCCC1 ZINC000801598630 626411686 /nfs/dbraw/zinc/41/16/86/626411686.db2.gz DHIVXQMAWYXCEU-INIZCTEOSA-N 0 3 318.461 3.395 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@@H](C)CC ZINC000801598170 626411917 /nfs/dbraw/zinc/41/19/17/626411917.db2.gz WOONZYLKLBJXSM-GJZGRUSLSA-N 0 3 306.450 3.298 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@@H](C)CC ZINC000801598170 626411918 /nfs/dbraw/zinc/41/19/18/626411918.db2.gz WOONZYLKLBJXSM-GJZGRUSLSA-N 0 3 306.450 3.298 20 10 DGCDHN CCOc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000801732788 626416712 /nfs/dbraw/zinc/41/67/12/626416712.db2.gz WYDJULALHVTQLO-QDMKHBRRSA-N 0 3 307.434 3.474 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c([O-])c1 ZINC000808444551 626825525 /nfs/dbraw/zinc/82/55/25/626825525.db2.gz IJUDLJLZXOKHTA-FZKQIMNGSA-N 0 3 301.386 3.003 20 10 DGCDHN CC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808673070 626848100 /nfs/dbraw/zinc/84/81/00/626848100.db2.gz WLDIEWFUUUHBAI-LLVKDONJSA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c1[O-] ZINC000808673018 626848123 /nfs/dbraw/zinc/84/81/23/626848123.db2.gz VTSBSQXPGFMNMB-NSHDSACASA-N 0 3 318.804 3.304 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000808684429 626849354 /nfs/dbraw/zinc/84/93/54/626849354.db2.gz NVOXLMUEQPEZSH-QWRGUYRKSA-N 0 3 312.841 3.308 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1[O-] ZINC000808702132 626850827 /nfs/dbraw/zinc/85/08/27/626850827.db2.gz SGUGSJUTNZIMRS-GXTWGEPZSA-N 0 3 313.825 3.200 20 10 DGCDHN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808702201 626850875 /nfs/dbraw/zinc/85/08/75/626850875.db2.gz CPPIMRDUHSCWAZ-DGCLKSJQSA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000808701791 626851069 /nfs/dbraw/zinc/85/10/69/626851069.db2.gz IRFJNAOPXYMFIN-MFKMUULPSA-N 0 3 305.809 3.285 20 10 DGCDHN COC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])[C@H]1CCCO1 ZINC000808715494 626853221 /nfs/dbraw/zinc/85/32/21/626853221.db2.gz GWRHXEQGHZJMGA-TUKIKUTGSA-N 0 3 313.825 3.199 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1[O-] ZINC000808719333 626853733 /nfs/dbraw/zinc/85/37/33/626853733.db2.gz VYRSZQBDOMUZQE-BIBXISHDSA-N 0 3 315.866 3.306 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)c1ccccc1[O-] ZINC000808724512 626854554 /nfs/dbraw/zinc/85/45/54/626854554.db2.gz WKRRTXGSWFMMPM-LAVFITLUSA-N 0 3 316.445 3.080 20 10 DGCDHN COc1cc(CN2C[C@@H]3C[C@H]2CS3)c(O)c(C(C)(C)C)c1 ZINC000840167759 626901469 /nfs/dbraw/zinc/90/14/69/626901469.db2.gz CVZCIGPSEACRLH-JSGCOSHPSA-N 0 3 307.459 3.388 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CSC[C@H]2C)c1[O-] ZINC000809702280 626938447 /nfs/dbraw/zinc/93/84/47/626938447.db2.gz FBYIFFQQPQROMP-SKDRFNHKSA-N 0 3 316.264 3.304 20 10 DGCDHN CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000809792760 626954485 /nfs/dbraw/zinc/95/44/85/626954485.db2.gz FXNUPEGWJPTBGH-LBPRGKRZSA-N 0 3 314.857 3.264 20 10 DGCDHN COCC[C@H](COC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000810173619 626984406 /nfs/dbraw/zinc/98/44/06/626984406.db2.gz GTCGUCSFKAMLOK-GOSISDBHSA-N 0 3 315.413 3.200 20 10 DGCDHN CC[C@H]([NH2+]CCCN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208570 626988341 /nfs/dbraw/zinc/98/83/41/626988341.db2.gz WLYMYJQEEYQKNZ-ZDUSSCGKSA-N 0 3 304.356 3.403 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000810252777 626993314 /nfs/dbraw/zinc/99/33/14/626993314.db2.gz JAGDGZACBXOBJP-ZYHUDNBSSA-N 0 3 305.809 3.285 20 10 DGCDHN CCN(CC)c1ccc(CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000135909769 627012307 /nfs/dbraw/zinc/01/23/07/627012307.db2.gz DKWJSAFSEYYLCN-NRFANRHFSA-N 0 3 324.468 3.456 20 10 DGCDHN COC(=O)c1cnc(SC[C@H]2CCCCN2C(C)C)s1 ZINC000840209763 627046778 /nfs/dbraw/zinc/04/67/78/627046778.db2.gz BIGOZQICMYYBPS-LLVKDONJSA-N 0 3 314.476 3.285 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)c([O-])c1 ZINC000886676516 627187390 /nfs/dbraw/zinc/18/73/90/627187390.db2.gz IIHJHHFQNVBIJL-XJKSGUPXSA-N 0 3 303.377 3.094 20 10 DGCDHN CC[C@H]([NH2+][C@H](COC)[C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000886788445 627204562 /nfs/dbraw/zinc/20/45/62/627204562.db2.gz BXNUJJSKMFJGCF-BHYGNILZSA-N 0 3 307.434 3.183 20 10 DGCDHN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@@H]1CCOC1 ZINC000812296243 627367928 /nfs/dbraw/zinc/36/79/28/627367928.db2.gz NYYPSTAINYSDBX-CQSZACIVSA-N 0 3 301.386 3.165 20 10 DGCDHN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@@H]1CCOC1 ZINC000812296243 627367932 /nfs/dbraw/zinc/36/79/32/627367932.db2.gz NYYPSTAINYSDBX-CQSZACIVSA-N 0 3 301.386 3.165 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1[O-] ZINC000813881033 627518330 /nfs/dbraw/zinc/51/83/30/627518330.db2.gz KSQLMBURHLVHIG-QGZVFWFLSA-N 0 3 322.408 3.485 20 10 DGCDHN CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000814172897 627546373 /nfs/dbraw/zinc/54/63/73/627546373.db2.gz CUFPUAUJNNVWDJ-HKUYNNGSSA-N 0 3 308.425 3.195 20 10 DGCDHN CN1C[C@H]2[C@@H](CC[N@H+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000814172897 627546377 /nfs/dbraw/zinc/54/63/77/627546377.db2.gz CUFPUAUJNNVWDJ-HKUYNNGSSA-N 0 3 308.425 3.195 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC000814299363 627557347 /nfs/dbraw/zinc/55/73/47/627557347.db2.gz DXPPPGNHUFDSJL-KRWDZBQOSA-N 0 3 321.804 3.268 20 10 DGCDHN Cc1cc(CN(C)Cc2ccc3c(c2)OCO3)ccc1N(C)C ZINC000815013047 627617126 /nfs/dbraw/zinc/61/71/26/627617126.db2.gz PILZWSUDCGRRFU-UHFFFAOYSA-N 0 3 312.413 3.422 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CC[C@@H](C)F)c1[O-] ZINC000815148987 627637629 /nfs/dbraw/zinc/63/76/29/627637629.db2.gz SZEUYHDCHHJCIH-MRVPVSSYSA-N 0 3 306.175 3.001 20 10 DGCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000815632895 627693064 /nfs/dbraw/zinc/69/30/64/627693064.db2.gz AYVKFNURSSGYLG-OUCADQQQSA-N 0 3 322.424 3.222 20 10 DGCDHN CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816554812 627806592 /nfs/dbraw/zinc/80/65/92/627806592.db2.gz JRVSQAMWKUHYON-NWDGAFQWSA-N 0 3 300.805 3.147 20 10 DGCDHN CN(C)c1ccc(CN2CCN(C)Cc3ccccc32)cc1F ZINC000816618349 627815231 /nfs/dbraw/zinc/81/52/31/627815231.db2.gz VNXWVSRCVRAVPS-UHFFFAOYSA-N 0 3 313.420 3.344 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000816662465 627821992 /nfs/dbraw/zinc/82/19/92/627821992.db2.gz PZEAIUNOAXCEEF-GOSISDBHSA-N 0 3 307.434 3.021 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000816662465 627821994 /nfs/dbraw/zinc/82/19/94/627821994.db2.gz PZEAIUNOAXCEEF-GOSISDBHSA-N 0 3 307.434 3.021 20 10 DGCDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2[O-])C1 ZINC000817415179 627896880 /nfs/dbraw/zinc/89/68/80/627896880.db2.gz TZLHNAHMRMEBQV-ZFWWWQNUSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000817415179 627896881 /nfs/dbraw/zinc/89/68/81/627896881.db2.gz TZLHNAHMRMEBQV-ZFWWWQNUSA-N 0 3 305.418 3.192 20 10 DGCDHN COC1([C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCOCC1 ZINC000817587696 627927488 /nfs/dbraw/zinc/92/74/88/627927488.db2.gz HISIRIFOKMWFQI-DYEKYZERSA-N 0 3 323.408 3.253 20 10 DGCDHN COC1([C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCOCC1 ZINC000817587701 627927585 /nfs/dbraw/zinc/92/75/85/627927585.db2.gz HISIRIFOKMWFQI-SGMGOOAPSA-N 0 3 323.408 3.253 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCCCN1)c1cccc(C(F)(F)F)c1[O-] ZINC000817948871 627971217 /nfs/dbraw/zinc/97/12/17/627971217.db2.gz FDHANRQFOUPTRQ-GHMZBOCLSA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1[O-] ZINC000817948871 627971219 /nfs/dbraw/zinc/97/12/19/627971219.db2.gz FDHANRQFOUPTRQ-GHMZBOCLSA-N 0 3 302.340 3.204 20 10 DGCDHN CC(C)C[C@H](CN)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000817957555 627974796 /nfs/dbraw/zinc/97/47/96/627974796.db2.gz CVYPMLZFZYGNAD-CMPLNLGQSA-N 0 3 315.255 3.179 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970894 627979669 /nfs/dbraw/zinc/97/96/69/627979669.db2.gz GVZLGZJOHYTVPK-OUAUKWLOSA-N 0 3 302.340 3.202 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000817973373 627979971 /nfs/dbraw/zinc/97/99/71/627979971.db2.gz DSHGVEVXCYEIFZ-YVEFUNNKSA-N 0 3 300.377 3.069 20 10 DGCDHN COC(OC)c1ccc(F)c(CNCc2ccccc2O)c1 ZINC000818191013 628002736 /nfs/dbraw/zinc/00/27/36/628002736.db2.gz NOBFSWASGSPQKX-UHFFFAOYSA-N 0 3 305.349 3.113 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000927154833 628027610 /nfs/dbraw/zinc/02/76/10/628027610.db2.gz DTKOZWIGSPKSSV-RIFZZMRRSA-N 0 3 311.425 3.444 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821392497 628363295 /nfs/dbraw/zinc/36/32/95/628363295.db2.gz ZYNLLCBCRUHMJX-HNNXBMFYSA-N 0 3 318.461 3.109 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821392497 628363297 /nfs/dbraw/zinc/36/32/97/628363297.db2.gz ZYNLLCBCRUHMJX-HNNXBMFYSA-N 0 3 318.461 3.109 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c([O-])c1 ZINC000822476836 628455877 /nfs/dbraw/zinc/45/58/77/628455877.db2.gz XUVPTOZDDAQEJC-UHFFFAOYSA-N 0 3 323.295 3.012 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1Cl ZINC000825900796 628809162 /nfs/dbraw/zinc/80/91/62/628809162.db2.gz RNZLFCJNTSEYCQ-CZUORRHYSA-N 0 3 308.853 3.413 20 10 DGCDHN CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000826867919 628897292 /nfs/dbraw/zinc/89/72/92/628897292.db2.gz NFSWFBCTJGEBPZ-AWEZNQCLSA-N 0 3 313.825 3.349 20 10 DGCDHN CC[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000826867920 628897412 /nfs/dbraw/zinc/89/74/12/628897412.db2.gz NFSWFBCTJGEBPZ-CQSZACIVSA-N 0 3 313.825 3.349 20 10 DGCDHN COC[C@@H](NCc1cccc(C)c1O)c1cccc(OC)c1 ZINC000827011676 628912653 /nfs/dbraw/zinc/91/26/53/628912653.db2.gz LIIIJNINRBXCGT-QGZVFWFLSA-N 0 3 301.386 3.187 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000827377065 628954045 /nfs/dbraw/zinc/95/40/45/628954045.db2.gz OOTWAYUAZDXYFA-RHSMWYFYSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000827377065 628954046 /nfs/dbraw/zinc/95/40/46/628954046.db2.gz OOTWAYUAZDXYFA-RHSMWYFYSA-N 0 3 305.418 3.182 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000827555425 628970155 /nfs/dbraw/zinc/97/01/55/628970155.db2.gz TYURQYSSRKQCFX-LBPRGKRZSA-N 0 3 324.852 3.091 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1[O-] ZINC000827678741 628982374 /nfs/dbraw/zinc/98/23/74/628982374.db2.gz GFLFGQCRZVYKGZ-CYBMUJFWSA-N 0 3 324.852 3.091 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1[O-] ZINC000827678741 628982375 /nfs/dbraw/zinc/98/23/75/628982375.db2.gz GFLFGQCRZVYKGZ-CYBMUJFWSA-N 0 3 324.852 3.091 20 10 DGCDHN COc1ccc(N2CCCN(CCC(=O)CC(C)C)CC2)cc1 ZINC000827802566 628992730 /nfs/dbraw/zinc/99/27/30/628992730.db2.gz HMDFAHYCKQZOPX-UHFFFAOYSA-N 0 3 318.461 3.213 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c([O-])c1 ZINC000828087595 629022077 /nfs/dbraw/zinc/02/20/77/629022077.db2.gz KXTDEWMNMXIYTK-QGZVFWFLSA-N 0 3 307.434 3.428 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c([O-])c1 ZINC000828087595 629022079 /nfs/dbraw/zinc/02/20/79/629022079.db2.gz KXTDEWMNMXIYTK-QGZVFWFLSA-N 0 3 307.434 3.428 20 10 DGCDHN C[C@@H](c1ccccc1)N(CC[S@](C)=O)Cc1ccccc1O ZINC000828564198 629068321 /nfs/dbraw/zinc/06/83/21/629068321.db2.gz NNOQTXXVHWDKCI-NYHFZMIOSA-N 0 3 317.454 3.334 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccccc1N1CCOCC1)CC2 ZINC000834541567 629724069 /nfs/dbraw/zinc/72/40/69/629724069.db2.gz YWPDZBIDCCJGMV-QGZVFWFLSA-N 0 3 324.424 3.006 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(O)CCCc3ccccc31)CC2 ZINC000834576158 629732466 /nfs/dbraw/zinc/73/24/66/629732466.db2.gz TUXFIKGISOMZGX-PXNSSMCTSA-N 0 3 309.409 3.193 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H]1COc3ccccc3O1)CC2 ZINC000834685511 629757129 /nfs/dbraw/zinc/75/71/29/629757129.db2.gz YNXJNBFIANJURI-CABCVRRESA-N 0 3 311.381 3.199 20 10 DGCDHN CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC000834692673 629759012 /nfs/dbraw/zinc/75/90/12/629759012.db2.gz GVEYPYHUVFAAHH-SJORKVTESA-N 0 3 322.408 3.467 20 10 DGCDHN CC1CCC2(CC1)OC[C@@H](C[NH2+][C@@H]1CCc3cccc([O-])c31)O2 ZINC000834736931 629769610 /nfs/dbraw/zinc/76/96/10/629769610.db2.gz BSJXPDJKGZDKBZ-BYGOXVSRSA-N 0 3 317.429 3.291 20 10 DGCDHN CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834845002 629789215 /nfs/dbraw/zinc/78/92/15/629789215.db2.gz XLBRABQVVSWGOR-VXGBXAGGSA-N 0 3 303.324 3.327 20 10 DGCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000834860946 629792781 /nfs/dbraw/zinc/79/27/81/629792781.db2.gz VYYFDTKWRUIDME-MRXNPFEDSA-N 0 3 311.429 3.077 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000834910954 629806901 /nfs/dbraw/zinc/80/69/01/629806901.db2.gz HADDUTGDVOWPSY-GRDNDAEWSA-N 0 3 315.417 3.005 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000834914549 629807680 /nfs/dbraw/zinc/80/76/80/629807680.db2.gz NPSBBVOZUPXANK-CORIIIEPSA-N 0 3 322.836 3.158 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000835029837 629829785 /nfs/dbraw/zinc/82/97/85/629829785.db2.gz SXJHTZKMTOTFSC-YAQIIAKESA-N 0 3 322.452 3.358 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@@](C)(CO)c2ccccc2)cc1 ZINC000835039082 629830952 /nfs/dbraw/zinc/83/09/52/629830952.db2.gz GDWXKFGZLBORAT-DUIUGDAFSA-N 0 3 310.441 3.263 20 10 DGCDHN CN(C)c1ccc(/C=C/CN(C)[C@H](CO)c2ccccc2)cc1 ZINC000835053454 629837352 /nfs/dbraw/zinc/83/73/52/629837352.db2.gz COWRAVANZPVKHC-AQKVLALTSA-N 0 3 310.441 3.431 20 10 DGCDHN CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000840847003 630366180 /nfs/dbraw/zinc/36/61/80/630366180.db2.gz JJPPOABPCZEPQH-ONUMYQOESA-N 0 3 301.361 3.494 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccccc1[O-] ZINC000840881064 630371729 /nfs/dbraw/zinc/37/17/29/630371729.db2.gz NLUJEESTJQLWQZ-WMLDXEAASA-N 0 3 303.377 3.348 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000840895422 630374394 /nfs/dbraw/zinc/37/43/94/630374394.db2.gz LRNBEAAHXAZSIL-VBQJREDUSA-N 0 3 303.446 3.473 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN(C)[C@H]1CCCc2c1cnn2C ZINC000840918412 630377873 /nfs/dbraw/zinc/37/78/73/630377873.db2.gz GKMSMHFHGBPZOP-SFHVURJKSA-N 0 3 312.461 3.304 20 10 DGCDHN NC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCCC1 ZINC000841039145 630400508 /nfs/dbraw/zinc/40/05/08/630400508.db2.gz CFJJRAKDAQFYNX-UHFFFAOYSA-N 0 3 303.233 3.450 20 10 DGCDHN CC1(C)CNCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841072024 630404505 /nfs/dbraw/zinc/40/45/05/630404505.db2.gz DUAXMEDAEJKGJI-LBPRGKRZSA-N 0 3 303.233 3.177 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000841089236 630406906 /nfs/dbraw/zinc/40/69/06/630406906.db2.gz JOOYEGMBUALZRO-GFCCVEGCSA-N 0 3 315.244 3.463 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(C)cc1[O-] ZINC000841761531 630463167 /nfs/dbraw/zinc/46/31/67/630463167.db2.gz GGHAYOTWDZXQMR-INIZCTEOSA-N 0 3 321.461 3.309 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1[O-] ZINC000841761734 630463341 /nfs/dbraw/zinc/46/33/41/630463341.db2.gz KLNYNFXAJKXEAT-JQWIXIFHSA-N 0 3 318.795 3.344 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCOCC1CCC1)C[C@@H]1CCCO1 ZINC000842152884 630499563 /nfs/dbraw/zinc/49/95/63/630499563.db2.gz JYNVNFRYZYHPOH-SFHVURJKSA-N 0 3 319.445 3.190 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCOCC1CCC1)C[C@@H]1CCCO1 ZINC000842152884 630499564 /nfs/dbraw/zinc/49/95/64/630499564.db2.gz JYNVNFRYZYHPOH-SFHVURJKSA-N 0 3 319.445 3.190 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842886656 630589634 /nfs/dbraw/zinc/58/96/34/630589634.db2.gz TVZINZWPAYUUST-RHSMWYFYSA-N 0 3 317.477 3.193 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)c2c1c(F)ccc2[O-] ZINC000842894848 630591236 /nfs/dbraw/zinc/59/12/36/630591236.db2.gz IRCKGJAZZSZERU-NHYWBVRUSA-N 0 3 301.361 3.362 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@H](CCO)c2ccccc2F)c1 ZINC000842922804 630593520 /nfs/dbraw/zinc/59/35/20/630593520.db2.gz DTEDZQMNRIIDEX-SJKOYZFVSA-N 0 3 319.376 3.314 20 10 DGCDHN OCC[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000842925204 630593983 /nfs/dbraw/zinc/59/39/83/630593983.db2.gz WVBMTDICQTXUNZ-CVEARBPZSA-N 0 3 301.361 3.232 20 10 DGCDHN CC[C@@H](N)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843483437 630662110 /nfs/dbraw/zinc/66/21/10/630662110.db2.gz CSTVSIPDWZCKAJ-WMLDXEAASA-N 0 3 312.413 3.219 20 10 DGCDHN C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])[C@H]1CC[NH3+] ZINC000844902103 630970233 /nfs/dbraw/zinc/97/02/33/630970233.db2.gz NKKKRONGSYQLHW-YGRLFVJLSA-N 0 3 300.805 3.134 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CNc3ccccc3C2)c1[O-] ZINC000844907377 630975875 /nfs/dbraw/zinc/97/58/75/630975875.db2.gz IYABFLNZWLWOMH-HNNXBMFYSA-N 0 3 302.805 3.480 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@]3(CC3(F)F)C2)c1O ZINC000846118556 631210686 /nfs/dbraw/zinc/21/06/86/631210686.db2.gz XLSBZXUQNIQZGF-ZDUSSCGKSA-N 0 3 303.736 3.285 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846118556 631210687 /nfs/dbraw/zinc/21/06/87/631210687.db2.gz XLSBZXUQNIQZGF-ZDUSSCGKSA-N 0 3 303.736 3.285 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846118556 631210689 /nfs/dbraw/zinc/21/06/89/631210689.db2.gz XLSBZXUQNIQZGF-ZDUSSCGKSA-N 0 3 303.736 3.285 20 10 DGCDHN COc1cccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c1O ZINC000846146238 631212132 /nfs/dbraw/zinc/21/21/32/631212132.db2.gz LTPXHLPMYDWEML-LLVKDONJSA-N 0 3 302.330 3.160 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])c1[O-] ZINC000846226377 631215695 /nfs/dbraw/zinc/21/56/95/631215695.db2.gz LSUNYZQWXQGEQJ-BZNIZROVSA-N 0 3 324.852 3.198 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(Cl)c(F)c2)c1 ZINC000846844781 631326130 /nfs/dbraw/zinc/32/61/30/631326130.db2.gz OVGCFEFUOOGNGF-SECBINFHSA-N 0 3 310.756 3.439 20 10 DGCDHN C/C(=C\c1cccnc1)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000846864813 631332603 /nfs/dbraw/zinc/33/26/03/631332603.db2.gz DXNFXYFQQPGZMQ-OTMARIDSSA-N 0 3 321.424 3.004 20 10 DGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C2CCC2)c1[O-] ZINC000848534390 631681794 /nfs/dbraw/zinc/68/17/94/631681794.db2.gz PKRKGBBSGWVBTR-MRVPVSSYSA-N 0 3 300.196 3.366 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C2(C)CC=CC2)c1[O-] ZINC000848560735 631693152 /nfs/dbraw/zinc/69/31/52/631693152.db2.gz JYRCQUNUHFCAEY-UHFFFAOYSA-N 0 3 312.207 3.362 20 10 DGCDHN CCOc1ccc(C[NH2+]CCc2ncc(C)cc2C)c([O-])c1 ZINC000848565388 631695002 /nfs/dbraw/zinc/69/50/02/631695002.db2.gz WCQAHCDHOHZLOJ-UHFFFAOYSA-N 0 3 300.402 3.135 20 10 DGCDHN CCc1cccc(CN2CCNC(=O)C[C@H]2c2ccccc2)c1O ZINC000848882731 631769547 /nfs/dbraw/zinc/76/95/47/631769547.db2.gz ZOIVFNPSCSPKSS-SFHVURJKSA-N 0 3 324.424 3.018 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccccn2)c1[O-] ZINC000848925706 631789700 /nfs/dbraw/zinc/78/97/00/631789700.db2.gz DEKUJYKWNFHEOX-NSHDSACASA-N 0 3 306.793 3.170 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1[O-] ZINC000848928012 631792571 /nfs/dbraw/zinc/79/25/71/631792571.db2.gz UCLPATMISMCRMO-HZPDHXFCSA-N 0 3 308.853 3.461 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC000850375314 632131131 /nfs/dbraw/zinc/13/11/31/632131131.db2.gz XGUSWBQSQWTFOQ-RZDIXWSQSA-N 0 3 313.397 3.491 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000850393748 632137710 /nfs/dbraw/zinc/13/77/10/632137710.db2.gz VVFLKCPQUPZDSH-PTEHBNRSSA-N 0 3 312.207 3.051 20 10 DGCDHN Cc1ccc(O)c([C@H](C)NCc2cnc(C(F)(F)F)nc2)c1 ZINC000850485303 632167110 /nfs/dbraw/zinc/16/71/10/632167110.db2.gz DIHMSUITJIRFKN-JTQLQIEISA-N 0 3 311.307 3.360 20 10 DGCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cncs3)C2)cc1 ZINC000850488425 632168648 /nfs/dbraw/zinc/16/86/48/632168648.db2.gz MRHHIOCKKBTSBA-STQMWFEESA-N 0 3 303.431 3.081 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c([O-])c1 ZINC000850540584 632186906 /nfs/dbraw/zinc/18/69/06/632186906.db2.gz NHESMJQFDMFLSP-YXJHDRRASA-N 0 3 313.445 3.496 20 10 DGCDHN Cc1cncc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC000850549454 632189234 /nfs/dbraw/zinc/18/92/34/632189234.db2.gz GSKMGXYLLKVWSZ-QMTHXVAHSA-N 0 3 301.365 3.010 20 10 DGCDHN CNC(=O)CC1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])CCCCC1 ZINC000850558055 632192739 /nfs/dbraw/zinc/19/27/39/632192739.db2.gz ZCZAUERZRLMLFY-OAHLLOKOSA-N 0 3 318.461 3.438 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccccc1[O-] ZINC000850561080 632194474 /nfs/dbraw/zinc/19/44/74/632194474.db2.gz HXAMYSRPDWNDTP-YJBOKZPZSA-N 0 3 307.434 3.001 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](OC)[C@H]1CCOC1 ZINC000852017973 632540472 /nfs/dbraw/zinc/54/04/72/632540472.db2.gz IGAGRPNJRWPKLW-WMZOPIPTSA-N 0 3 307.434 3.046 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](OC)[C@H]1CCOC1 ZINC000852017973 632540474 /nfs/dbraw/zinc/54/04/74/632540474.db2.gz IGAGRPNJRWPKLW-WMZOPIPTSA-N 0 3 307.434 3.046 20 10 DGCDHN C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cc(F)ccc1[O-] ZINC000185452081 660223295 /nfs/dbraw/zinc/22/32/95/660223295.db2.gz UNPAUHYCPHGGBX-LBPRGKRZSA-N 0 3 301.361 3.360 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1[O-] ZINC000186134827 660270014 /nfs/dbraw/zinc/27/00/14/660270014.db2.gz OLDZWANXHZWIQG-WMLDXEAASA-N 0 3 310.397 3.238 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000186095030 660266160 /nfs/dbraw/zinc/26/61/60/660266160.db2.gz QYQJSNFNMIVIEY-ZSEKCTLFSA-N 0 3 303.427 3.289 20 10 DGCDHN CN(C)c1ccc(CN(C)C[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000792776919 660983808 /nfs/dbraw/zinc/98/38/08/660983808.db2.gz KLYGKESFVHNRGL-AWEZNQCLSA-N 0 3 316.367 3.382 20 10 DGCDHN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000793337543 661025129 /nfs/dbraw/zinc/02/51/29/661025129.db2.gz RCOAXHJCIJXFBG-UHFFFAOYSA-N 0 3 312.816 3.291 20 10 DGCDHN [O-]c1c(F)cc(Cl)cc1CNC1CC([NH+]2CCCCC2)C1 ZINC000793337543 661025131 /nfs/dbraw/zinc/02/51/31/661025131.db2.gz RCOAXHJCIJXFBG-UHFFFAOYSA-N 0 3 312.816 3.291 20 10 DGCDHN Cc1cc(O)c(CN2CCO[C@]3(CCO[C@H]3C)C2)cc1C(C)C ZINC000794661303 661097376 /nfs/dbraw/zinc/09/73/76/661097376.db2.gz HDJYCBQYZMVQGV-HNAYVOBHSA-N 0 3 319.445 3.204 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000794817808 661106876 /nfs/dbraw/zinc/10/68/76/661106876.db2.gz RATNKTMYFSUKPP-UKRRQHHQSA-N 0 3 304.434 3.141 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](OC)C3)c2c1 ZINC000076266330 655702984 /nfs/dbraw/zinc/70/29/84/655702984.db2.gz OTTGFRXTDBBSQE-HNNXBMFYSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](OC)C3)c2c1 ZINC000076266330 655702986 /nfs/dbraw/zinc/70/29/86/655702986.db2.gz OTTGFRXTDBBSQE-HNNXBMFYSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1cccc(CNCc2ccccc2Br)c1O ZINC000048819584 655777964 /nfs/dbraw/zinc/77/79/64/655777964.db2.gz JFOVJBKGDNMLJE-UHFFFAOYSA-N 0 3 322.202 3.453 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccccc1[O-] ZINC000183671853 656114077 /nfs/dbraw/zinc/11/40/77/656114077.db2.gz VNJJPCCTWGPJGR-NWPKHEMWSA-N 0 3 305.418 3.365 20 10 DGCDHN CCC(CC)(C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000312706740 656185107 /nfs/dbraw/zinc/18/51/07/656185107.db2.gz GURNCAIQSRKADC-UHFFFAOYSA-N 0 3 301.814 3.349 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1[O-] ZINC000305789767 658046651 /nfs/dbraw/zinc/04/66/51/658046651.db2.gz ZNORINLQPLTBOS-GOEBONIOSA-N 0 3 307.340 3.445 20 10 DGCDHN [NH3+]CCCN(Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000230008708 659295616 /nfs/dbraw/zinc/29/56/16/659295616.db2.gz YKFFQRAXHWLCIO-UHFFFAOYSA-N 0 3 304.821 3.397 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1[O-] ZINC000246120492 659884989 /nfs/dbraw/zinc/88/49/89/659884989.db2.gz KHKWTVBPNFIPAH-ZJUUUORDSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1[O-] ZINC000246120492 659884991 /nfs/dbraw/zinc/88/49/91/659884991.db2.gz KHKWTVBPNFIPAH-ZJUUUORDSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1ccc(N2CCN(Cc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000067980196 659932730 /nfs/dbraw/zinc/93/27/30/659932730.db2.gz QZASZNJFIZLJFJ-UHFFFAOYSA-N 0 3 321.424 3.499 20 10 DGCDHN CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179565567 659933640 /nfs/dbraw/zinc/93/36/40/659933640.db2.gz FDHDCEMRGTZWAO-KRWDZBQOSA-N 0 3 318.461 3.301 20 10 DGCDHN CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179565567 659933644 /nfs/dbraw/zinc/93/36/44/659933644.db2.gz FDHDCEMRGTZWAO-KRWDZBQOSA-N 0 3 318.461 3.301 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000179564122 659933793 /nfs/dbraw/zinc/93/37/93/659933793.db2.gz IIIZEJDNCIWXCU-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000179564122 659933795 /nfs/dbraw/zinc/93/37/95/659933795.db2.gz IIIZEJDNCIWXCU-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN COc1ccc(O)c(CN2CCN(c3ccccc3C)CC2)c1 ZINC000179588281 659934349 /nfs/dbraw/zinc/93/43/49/659934349.db2.gz QHCMTGCOTUKCSO-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN CCN(CC)C(=O)CCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000180770918 659970005 /nfs/dbraw/zinc/97/00/05/659970005.db2.gz FVRBKJDWOCZCJR-UHFFFAOYSA-N 0 3 318.461 3.253 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(C#N)ccc2F)c1 ZINC000182315269 660042235 /nfs/dbraw/zinc/04/22/35/660042235.db2.gz VBYBSJZUEWSOHN-LLVKDONJSA-N 0 3 300.333 3.262 20 10 DGCDHN C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1O ZINC000183674593 660130134 /nfs/dbraw/zinc/13/01/34/660130134.db2.gz XOBFUYAZOINBES-HNNXBMFYSA-N 0 3 311.429 3.317 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000076074410 661966695 /nfs/dbraw/zinc/96/66/95/661966695.db2.gz TVLNVRNFBVTWNR-GJZGRUSLSA-N 0 3 306.450 3.298 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000076074410 661966696 /nfs/dbraw/zinc/96/66/96/661966696.db2.gz TVLNVRNFBVTWNR-GJZGRUSLSA-N 0 3 306.450 3.298 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000192680183 662107995 /nfs/dbraw/zinc/10/79/95/662107995.db2.gz HDAINPULHMFXTC-QWHCGFSZSA-N 0 3 308.422 3.264 20 10 DGCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000192691121 662108288 /nfs/dbraw/zinc/10/82/88/662108288.db2.gz NZWSQZBVPWHDDZ-QWRGUYRKSA-N 0 3 312.385 3.095 20 10 DGCDHN CCCN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1ccccc1O ZINC000246166473 662249488 /nfs/dbraw/zinc/24/94/88/662249488.db2.gz BSZIVUABQAQARJ-HZPDHXFCSA-N 0 3 318.461 3.109 20 10 DGCDHN COCCCOCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000091026203 662290064 /nfs/dbraw/zinc/29/00/64/662290064.db2.gz LGVJWWGYGFZWEY-UHFFFAOYSA-N 0 3 303.402 3.030 20 10 DGCDHN COCCCOCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000091026203 662290067 /nfs/dbraw/zinc/29/00/67/662290067.db2.gz LGVJWWGYGFZWEY-UHFFFAOYSA-N 0 3 303.402 3.030 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000248499029 662350467 /nfs/dbraw/zinc/35/04/67/662350467.db2.gz MMCDUNGKCRKZNA-WVQJBOLRSA-N 0 3 307.340 3.443 20 10 DGCDHN C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000397733864 685231378 /nfs/dbraw/zinc/23/13/78/685231378.db2.gz FETQJMRVDSNFFO-LLVKDONJSA-N 0 3 324.396 3.049 20 10 DGCDHN N[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)CC(F)(F)F ZINC001580128237 1192008804 /nfs/dbraw/zinc/00/88/04/1192008804.db2.gz UJOGJVVFVUBSJM-CYBMUJFWSA-N 0 3 316.367 3.417 20 10 DGCDHN N[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)CC(F)(F)F ZINC001580128237 1192008807 /nfs/dbraw/zinc/00/88/07/1192008807.db2.gz UJOGJVVFVUBSJM-CYBMUJFWSA-N 0 3 316.367 3.417 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@H](CO)CCC(C)(C)C)cc1F ZINC001620914371 1192593708 /nfs/dbraw/zinc/59/37/08/1192593708.db2.gz QQNDZIZQDDIJGC-ZDUSSCGKSA-N 0 3 314.420 3.308 20 10 DGCDHN COC[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC001335566007 1178931608 /nfs/dbraw/zinc/93/16/08/1178931608.db2.gz QDOQHNSBLSCHLL-GFCCVEGCSA-N 0 3 301.814 3.062 20 10 DGCDHN Nc1ccc(CN2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC001336117997 1178995151 /nfs/dbraw/zinc/99/51/51/1178995151.db2.gz UJVCCYSJIDEEKG-LJQANCHMSA-N 0 3 323.440 3.053 20 10 DGCDHN CC[C@](O)(CN[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC001352739369 1180389512 /nfs/dbraw/zinc/38/95/12/1180389512.db2.gz DJBLZDAEECWOKH-FZMZJTMJSA-N 0 3 304.356 3.107 20 10 DGCDHN CCN1CCN(c2ccc(NCc3ccc(N)cc3)c(C)c2)CC1 ZINC001356083511 1181138408 /nfs/dbraw/zinc/13/84/08/1181138408.db2.gz QPBZIWXHIHQLPH-UHFFFAOYSA-N 0 3 324.472 3.331 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001474596802 1181593180 /nfs/dbraw/zinc/59/31/80/1181593180.db2.gz BKNSWJLEPNJMRY-ZIAGYGMSSA-N 0 3 322.449 3.482 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001474596801 1181593492 /nfs/dbraw/zinc/59/34/92/1181593492.db2.gz BKNSWJLEPNJMRY-UONOGXRCSA-N 0 3 322.449 3.482 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c([O-])c1 ZINC001462465992 1182956620 /nfs/dbraw/zinc/95/66/20/1182956620.db2.gz HOWGLLBABJPIES-OAHLLOKOSA-N 0 3 307.434 3.346 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c([O-])c1 ZINC001462465992 1182956623 /nfs/dbraw/zinc/95/66/23/1182956623.db2.gz HOWGLLBABJPIES-OAHLLOKOSA-N 0 3 307.434 3.346 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC001474435227 1183922383 /nfs/dbraw/zinc/92/23/83/1183922383.db2.gz BPTWHYDWBVUBFO-CHWSQXEVSA-N 0 3 324.415 3.413 20 10 DGCDHN COc1ccc(C[C@H]2CC[N@@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC001560671953 1189357605 /nfs/dbraw/zinc/35/76/05/1189357605.db2.gz SSVQONBXRZCFQK-MRXNPFEDSA-N 0 3 301.361 3.357 20 10 DGCDHN COc1ccc(C[C@H]2CC[N@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC001560671953 1189357609 /nfs/dbraw/zinc/35/76/09/1189357609.db2.gz SSVQONBXRZCFQK-MRXNPFEDSA-N 0 3 301.361 3.357 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCN(C)c3ccccc3C2)c([O-])c1 ZINC001621178494 1193813339 /nfs/dbraw/zinc/81/33/39/1193813339.db2.gz KYAQZXWFOTVERG-UHFFFAOYSA-N 0 3 312.413 3.161 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCN(C)c3ccccc3C2)c([O-])c1 ZINC001621178494 1193813342 /nfs/dbraw/zinc/81/33/42/1193813342.db2.gz KYAQZXWFOTVERG-UHFFFAOYSA-N 0 3 312.413 3.161 20 10 DGCDHN CC[C@](C)(C(=O)OC)N(Cc1ccc(C)cc1O)CC1CC1 ZINC001621403113 1193838303 /nfs/dbraw/zinc/83/83/03/1193838303.db2.gz QDUZDPWZKVBUAY-GOSISDBHSA-N 0 3 305.418 3.254 20 10 DGCDHN CCOC(=O)[C@H](C)C1CN(Cc2cc(C(C)C)ccc2O)C1 ZINC001621513027 1193852065 /nfs/dbraw/zinc/85/20/65/1193852065.db2.gz BAIIBSGXZIELNZ-CYBMUJFWSA-N 0 3 305.418 3.147 20 10 DGCDHN C[C@@H](NC(=O)C(C)(C)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC001633315839 1194431888 /nfs/dbraw/zinc/43/18/88/1194431888.db2.gz YAHMBQQMFHKLPD-OAHLLOKOSA-N 0 3 317.477 3.194 20 10 DGCDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1O ZINC001644183437 1195087535 /nfs/dbraw/zinc/08/75/35/1195087535.db2.gz MMDYCYWPVPOIHP-JTQLQIEISA-N 0 3 312.329 3.028 20 10 DGCDHN CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001647040762 1195242929 /nfs/dbraw/zinc/24/29/29/1195242929.db2.gz WVMARBMLLVYZSB-QWHCGFSZSA-N 0 3 300.805 3.147 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@H]1c2ccccc2C[C@@H]1O ZINC001650707591 1195374502 /nfs/dbraw/zinc/37/45/02/1195374502.db2.gz DSDVNXLEAKKQQZ-PMACEKPBSA-N 0 3 306.409 3.235 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)CCOc2ccccc2F)c([O-])c1 ZINC001652067116 1195543777 /nfs/dbraw/zinc/54/37/77/1195543777.db2.gz WFFOLRLJWZADMH-UHFFFAOYSA-N 0 3 319.376 3.359 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)CCOc2ccccc2F)c([O-])c1 ZINC001652067116 1195543780 /nfs/dbraw/zinc/54/37/80/1195543780.db2.gz WFFOLRLJWZADMH-UHFFFAOYSA-N 0 3 319.376 3.359 20 10 DGCDHN Cc1ccc(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)c([O-])c1 ZINC001652753999 1195647959 /nfs/dbraw/zinc/64/79/59/1195647959.db2.gz FBPFFARWEUWAKI-FQEVSTJZSA-N 0 3 310.441 3.455 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1c(F)cccc1F ZINC001655349830 1195906784 /nfs/dbraw/zinc/90/67/84/1195906784.db2.gz VBBPRCSMGRMUIS-WDEREUQCSA-N 0 3 320.339 3.348 20 10 DGCDHN CNC(=O)c1cccc(CNCc2c(C)c3ccccc3n2C)c1 ZINC001656220158 1196019230 /nfs/dbraw/zinc/01/92/30/1196019230.db2.gz SBPLQVPORDCROL-UHFFFAOYSA-N 0 3 321.424 3.136 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c([O-])c1 ZINC001658335053 1196243153 /nfs/dbraw/zinc/24/31/53/1196243153.db2.gz GWOHVYUZIOIHRX-QGZVFWFLSA-N 0 3 307.459 3.428 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCSC3)C2)c([O-])c1 ZINC001658335053 1196243158 /nfs/dbraw/zinc/24/31/58/1196243158.db2.gz GWOHVYUZIOIHRX-QGZVFWFLSA-N 0 3 307.459 3.428 20 10 DGCDHN CC(C)c1ccc(O)c(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC001659826421 1196418045 /nfs/dbraw/zinc/41/80/45/1196418045.db2.gz ADEGYIHLPBLMTA-MRXNPFEDSA-N 0 3 320.433 3.178 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c([O-])c1 ZINC001659952184 1196431686 /nfs/dbraw/zinc/43/16/86/1196431686.db2.gz LAZMITWHJACKPF-LPHOPBHVSA-N 0 3 310.441 3.453 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC(C)(C)C2CCOCC2)c([O-])c1 ZINC001660092128 1196444145 /nfs/dbraw/zinc/44/41/45/1196444145.db2.gz MQVJUPBFKALOHZ-UHFFFAOYSA-N 0 3 307.434 3.252 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC001660109592 1196445937 /nfs/dbraw/zinc/44/59/37/1196445937.db2.gz JDGOMIPPQAKESW-RHSMWYFYSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC001660109592 1196445941 /nfs/dbraw/zinc/44/59/41/1196445941.db2.gz JDGOMIPPQAKESW-RHSMWYFYSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c([O-])c1 ZINC001660109593 1196447298 /nfs/dbraw/zinc/44/72/98/1196447298.db2.gz JDGOMIPPQAKESW-WMLDXEAASA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c([O-])c1 ZINC001660109593 1196447300 /nfs/dbraw/zinc/44/73/00/1196447300.db2.gz JDGOMIPPQAKESW-WMLDXEAASA-N 0 3 305.418 3.100 20 10 DGCDHN CCCOc1ccc(CN[C@H](COC)[C@H]2CCCO2)cc1C ZINC001662332311 1196708858 /nfs/dbraw/zinc/70/88/58/1196708858.db2.gz HFTHLICQQXSBQH-SJLPKXTDSA-N 0 3 307.434 3.067 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(F)c1N ZINC001664114653 1196972778 /nfs/dbraw/zinc/97/27/78/1196972778.db2.gz UBYBLOXIJPTPMJ-UHFFFAOYSA-N 0 3 301.409 3.496 20 10 DGCDHN C[C@](CO)(NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000322491463 1197688151 /nfs/dbraw/zinc/68/81/51/1197688151.db2.gz OVEMVZLIEBWLLH-HXUWFJFHSA-N 0 3 310.441 3.284 20 10 DGCDHN CC/C(C)=C/C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001716291166 1203457711 /nfs/dbraw/zinc/45/77/11/1203457711.db2.gz LBIHXQIDHVPDQY-HCVZKXNCSA-N 0 3 316.445 3.122 20 10 DGCDHN CS[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC001183145397 1083879742 /nfs/dbraw/zinc/87/97/42/1083879742.db2.gz IHCQIRIHQHVIOP-HAQNSBGRSA-N 0 3 316.264 3.447 20 10 DGCDHN C[N@H+](CCCC(=O)c1cccnc1)Cc1cc(F)ccc1[O-] ZINC001140054924 1081766175 /nfs/dbraw/zinc/76/61/75/1081766175.db2.gz AFTHWYPUUARBMC-UHFFFAOYSA-N 0 3 302.349 3.021 20 10 DGCDHN C[N@@H+](CCCC(=O)c1cccnc1)Cc1cc(F)ccc1[O-] ZINC001140054924 1081766180 /nfs/dbraw/zinc/76/61/80/1081766180.db2.gz AFTHWYPUUARBMC-UHFFFAOYSA-N 0 3 302.349 3.021 20 10 DGCDHN Oc1ccc(CNc2cc(CN3CCCCC3)ccn2)cc1O ZINC001169990105 1081791890 /nfs/dbraw/zinc/79/18/90/1081791890.db2.gz ASPJBRHGXSXXGM-UHFFFAOYSA-N 0 3 313.401 3.091 20 10 DGCDHN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CN1CCCC1 ZINC001648832649 1081938034 /nfs/dbraw/zinc/93/80/34/1081938034.db2.gz GJDZCAULWREZIF-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN C[C@H](CNCc1cc(Cl)cc(F)c1[O-])C[NH+]1CCCC1 ZINC001648832649 1081938037 /nfs/dbraw/zinc/93/80/37/1081938037.db2.gz GJDZCAULWREZIF-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN CCc1cccnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167426876 1082097671 /nfs/dbraw/zinc/09/76/71/1082097671.db2.gz MQKXMQFGGSHEQB-UHFFFAOYSA-N 0 3 310.445 3.008 20 10 DGCDHN COc1ccc(N(C)CCN(C)Cc2cc(C)oc2C)cc1 ZINC001206545447 1083838854 /nfs/dbraw/zinc/83/88/54/1083838854.db2.gz VOXLHFHWMQKJHK-UHFFFAOYSA-N 0 3 302.418 3.473 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC([C@H]3CCCCO3)CC2)c([O-])c1 ZINC001182917829 1083840617 /nfs/dbraw/zinc/84/06/17/1083840617.db2.gz CMLQHPIWLKXAQU-LJQANCHMSA-N 0 3 319.445 3.490 20 10 DGCDHN CN(C)c1ccc(CNCc2ccccc2N(C)C)cc1F ZINC001648964702 1086488015 /nfs/dbraw/zinc/48/80/15/1086488015.db2.gz CKIQLZALNPTYOD-UHFFFAOYSA-N 0 3 301.409 3.248 20 10 DGCDHN O=C1c2ccccc2CN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203561340 1090756961 /nfs/dbraw/zinc/75/69/61/1090756961.db2.gz QXCGEIFRYLWXFG-UHFFFAOYSA-N 0 3 322.408 3.013 20 10 DGCDHN C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1[O-] ZINC001203561711 1090757202 /nfs/dbraw/zinc/75/72/02/1090757202.db2.gz YJHKDAJWZBXCOC-DZGCQCFKSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccccc1[O-] ZINC001203561711 1090757204 /nfs/dbraw/zinc/75/72/04/1090757204.db2.gz YJHKDAJWZBXCOC-DZGCQCFKSA-N 0 3 320.433 3.270 20 10 DGCDHN COc1cccc(CN2CC[C@H]2COCc2ccccc2)c1O ZINC001203595807 1090764525 /nfs/dbraw/zinc/76/45/25/1090764525.db2.gz NUTUOYDWMHKURY-KRWDZBQOSA-N 0 3 313.397 3.192 20 10 DGCDHN COc1ccc(O)c(CN(C)CCC(=O)c2cccs2)c1 ZINC001203680226 1090779178 /nfs/dbraw/zinc/77/91/78/1090779178.db2.gz MOUWBFCDJCXEKM-UHFFFAOYSA-N 0 3 305.399 3.167 20 10 DGCDHN Oc1ccc(CN2CCC(n3cnc4ccccc43)CC2)cc1O ZINC001203884624 1090826990 /nfs/dbraw/zinc/82/69/90/1090826990.db2.gz WEINFOOJVLNNCW-UHFFFAOYSA-N 0 3 323.396 3.285 20 10 DGCDHN CN(C)c1ccc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1 ZINC001203929555 1090841907 /nfs/dbraw/zinc/84/19/07/1090841907.db2.gz GCSBAIARLYYDBJ-TZMCWYRMSA-N 0 3 304.331 3.332 20 10 DGCDHN COC(=O)C1(C)CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327538 1090950053 /nfs/dbraw/zinc/95/00/53/1090950053.db2.gz YBWXICCCKUIMAF-UHFFFAOYSA-N 0 3 316.445 3.062 20 10 DGCDHN CC(C)c1ccc(O)c(CN(C)Cc2cccc(C(N)=O)c2)c1 ZINC001204736933 1091026869 /nfs/dbraw/zinc/02/68/69/1091026869.db2.gz RRTPUJQLGZZHNX-UHFFFAOYSA-N 0 3 312.413 3.247 20 10 DGCDHN Oc1c(CN2CCC[C@@H](F)C2)cc2c3c1CCCN3CCC2 ZINC001138336735 1091145281 /nfs/dbraw/zinc/14/52/81/1091145281.db2.gz DQVCGSUEZVHCDK-OAHLLOKOSA-N 0 3 304.409 3.025 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@H](OC)C2)c(OC)c1 ZINC001138388506 1091163462 /nfs/dbraw/zinc/16/34/62/1091163462.db2.gz WFDXXXKNEGIUHD-KRWDZBQOSA-N 0 3 306.450 3.152 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c([O-])c1 ZINC001205890346 1091396021 /nfs/dbraw/zinc/39/60/21/1091396021.db2.gz RZYPZXYRVJRDII-FUHWJXTLSA-N 0 3 309.450 3.088 20 10 DGCDHN CCc1cccc(CN2CC(N(C)Cc3ccccc3)C2)c1O ZINC001206180460 1091525424 /nfs/dbraw/zinc/52/54/24/1091525424.db2.gz OPYTZHCGNWNCGF-UHFFFAOYSA-N 0 3 310.441 3.271 20 10 DGCDHN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(N(C)C)nc1 ZINC001139456871 1091562904 /nfs/dbraw/zinc/56/29/04/1091562904.db2.gz RJIBERGZRKUHBG-UHFFFAOYSA-N 0 3 324.472 3.380 20 10 DGCDHN Cc1cc(CN(CCO)Cc2cccs2)ccc1N(C)C ZINC001139672096 1091637467 /nfs/dbraw/zinc/63/74/67/1091637467.db2.gz TUCQBJOAYRUQFO-UHFFFAOYSA-N 0 3 304.459 3.117 20 10 DGCDHN C[C@@]1(C[NH3+])CCCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001206575201 1091674442 /nfs/dbraw/zinc/67/44/42/1091674442.db2.gz UZVPXVBCFAYNJP-HNNXBMFYSA-N 0 3 300.805 3.136 20 10 DGCDHN CCCn1cc(CN[C@@H](C)c2cc(OC)ccc2O)c(C)n1 ZINC001203000459 1091763300 /nfs/dbraw/zinc/76/33/00/1091763300.db2.gz OXCGMVAGNPGIEE-ZDUSSCGKSA-N 0 3 303.406 3.167 20 10 DGCDHN CC1([NH+]2CCCC2)CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464382 1091875418 /nfs/dbraw/zinc/87/54/18/1091875418.db2.gz NFCCCJABJUPDSA-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN Cc1ccc(CN2CCN(Cc3cc(C)ccc3O)CC2)cc1 ZINC001140620944 1091934132 /nfs/dbraw/zinc/93/41/32/1091934132.db2.gz JGIIBLCTVXLHLK-UHFFFAOYSA-N 0 3 310.441 3.327 20 10 DGCDHN CCN(CC)c1ccc(CN2CC3(C2)C[C@H](F)CS3)c(O)c1 ZINC001140855710 1092030186 /nfs/dbraw/zinc/03/01/86/1092030186.db2.gz JHBRMDXLCYPAJV-AWEZNQCLSA-N 0 3 324.465 3.268 20 10 DGCDHN CCN(CC)c1ccc(CN2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC001140856577 1092032283 /nfs/dbraw/zinc/03/22/83/1092032283.db2.gz FIJKYTPZMXBBII-GOSISDBHSA-N 0 3 306.450 3.095 20 10 DGCDHN COC(=O)CC1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140922399 1092062550 /nfs/dbraw/zinc/06/25/50/1092062550.db2.gz PVRJAHFMSRZUHW-UHFFFAOYSA-N 0 3 324.852 3.181 20 10 DGCDHN CN(C)c1ccc(CN2CCC(n3ccnc3)CC2)c(Cl)c1 ZINC001140925205 1092064165 /nfs/dbraw/zinc/06/41/65/1092064165.db2.gz PMLRBUFPYFVMCB-UHFFFAOYSA-N 0 3 318.852 3.440 20 10 DGCDHN Cc1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140948552 1092074500 /nfs/dbraw/zinc/07/45/00/1092074500.db2.gz NPWITTVJZBLSID-HNNXBMFYSA-N 0 3 320.433 3.190 20 10 DGCDHN CCCc1noc([C@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC001140957524 1092079174 /nfs/dbraw/zinc/07/91/74/1092079174.db2.gz CMJCWHUXIRGBFL-HNNXBMFYSA-N 0 3 315.417 3.416 20 10 DGCDHN CCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC001140957524 1092079184 /nfs/dbraw/zinc/07/91/84/1092079184.db2.gz CMJCWHUXIRGBFL-HNNXBMFYSA-N 0 3 315.417 3.416 20 10 DGCDHN COc1cc(O)c(CN2CCO[C@H](C(C)(C)C)CC2)cc1OC ZINC001207836172 1092111556 /nfs/dbraw/zinc/11/15/56/1092111556.db2.gz HENMPNFSLHAKIO-KRWDZBQOSA-N 0 3 323.433 3.046 20 10 DGCDHN Cc1ccccc1OC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141156242 1092155318 /nfs/dbraw/zinc/15/53/18/1092155318.db2.gz INNYIMMHIWITNP-UHFFFAOYSA-N 0 3 313.397 3.450 20 10 DGCDHN CN(Cc1ccc(N(C)C)cc1)C[C@H]1COC2(CCCCC2)O1 ZINC001208645182 1092440714 /nfs/dbraw/zinc/44/07/14/1092440714.db2.gz VCDCKPYAWDLBFI-SFHVURJKSA-N 0 3 318.461 3.260 20 10 DGCDHN CC(C)(C)c1cccc(CN2CC(N3CCCCC3)C2)c1O ZINC001143112469 1092616954 /nfs/dbraw/zinc/61/69/54/1092616954.db2.gz RPUWXJXUZFOZAQ-UHFFFAOYSA-N 0 3 302.462 3.360 20 10 DGCDHN CC(C)(C)c1cccc(CN2CC(N3CCC(F)CC3)C2)c1O ZINC001143110418 1092617141 /nfs/dbraw/zinc/61/71/41/1092617141.db2.gz FQYBSQCUMJVFME-UHFFFAOYSA-N 0 3 320.452 3.308 20 10 DGCDHN [NH3+]C[C@@H]1CCCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001206639005 1092868503 /nfs/dbraw/zinc/86/85/03/1092868503.db2.gz AJMYIKDGMBUKSV-JTQLQIEISA-N 0 3 303.233 3.260 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210311784 1093121196 /nfs/dbraw/zinc/12/11/96/1093121196.db2.gz OJXSHRNPBBFDBS-KRWDZBQOSA-N 0 3 316.832 3.062 20 10 DGCDHN COc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)c([O-])c1 ZINC000091682792 1093486961 /nfs/dbraw/zinc/48/69/61/1093486961.db2.gz KLLPTKAVAHBYLK-UHFFFAOYSA-N 0 3 313.397 3.444 20 10 DGCDHN Nc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC001120268422 1094398461 /nfs/dbraw/zinc/39/84/61/1094398461.db2.gz DTWDCULZNIZZBW-SFHVURJKSA-N 0 3 312.413 3.156 20 10 DGCDHN Nc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC001120268422 1094398467 /nfs/dbraw/zinc/39/84/67/1094398467.db2.gz DTWDCULZNIZZBW-SFHVURJKSA-N 0 3 312.413 3.156 20 10 DGCDHN Nc1ccc(CN2CCC(Oc3ccc(Cl)cn3)CC2)cc1 ZINC001120268426 1094398586 /nfs/dbraw/zinc/39/85/86/1094398586.db2.gz FAFXZPWWNJGKLL-UHFFFAOYSA-N 0 3 317.820 3.361 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171027364 1095153502 /nfs/dbraw/zinc/15/35/02/1095153502.db2.gz SGGSSUMEFYDUAS-ZDUSSCGKSA-N 0 3 303.789 3.398 20 10 DGCDHN CC[C@@H](NCc1ccc(N2CCCC2)cc1)[C@@H](O)C(F)(F)F ZINC001116425120 1095546183 /nfs/dbraw/zinc/54/61/83/1095546183.db2.gz TYNGBRSIEAQIFB-HUUCEWRRSA-N 0 3 316.367 3.078 20 10 DGCDHN Cc1cc(CN(C)CCNC(=O)OC(C)(C)C)ccc1N(C)C ZINC001139669681 1095602072 /nfs/dbraw/zinc/60/20/72/1095602072.db2.gz GYRPNYBMSLCYRW-UHFFFAOYSA-N 0 3 321.465 3.018 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCC[C@H]2N(C)C)c1[O-] ZINC001116583658 1095607147 /nfs/dbraw/zinc/60/71/47/1095607147.db2.gz NDZMJHLLLGQKAG-UONOGXRCSA-N 0 3 312.841 3.017 20 10 DGCDHN CCN(Cc1cccc(F)c1F)Cc1c(O)cc(O)cc1O ZINC001144515715 1095700220 /nfs/dbraw/zinc/70/02/20/1095700220.db2.gz FPLRYFZYWFQPHW-UHFFFAOYSA-N 0 3 309.312 3.104 20 10 DGCDHN C[N@H+](Cc1c([O-])cc(O)cc1O)C(C)(C)Cc1ccccc1 ZINC001144515649 1095700656 /nfs/dbraw/zinc/70/06/56/1095700656.db2.gz UIFGXPJUPLTIDX-UHFFFAOYSA-N 0 3 301.386 3.257 20 10 DGCDHN C[N@@H+](Cc1c([O-])cc(O)cc1O)C(C)(C)Cc1ccccc1 ZINC001144515649 1095700670 /nfs/dbraw/zinc/70/06/70/1095700670.db2.gz UIFGXPJUPLTIDX-UHFFFAOYSA-N 0 3 301.386 3.257 20 10 DGCDHN Oc1cc(O)c(CN2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001144514717 1095700897 /nfs/dbraw/zinc/70/08/97/1095700897.db2.gz PLVKVTQBECDPSG-UHFFFAOYSA-N 0 3 305.761 3.015 20 10 DGCDHN O[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001339914203 1095777799 /nfs/dbraw/zinc/77/77/99/1095777799.db2.gz MHKRGCOHLAECMB-RTWAWAEBSA-N 0 3 322.452 3.425 20 10 DGCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ncccc1N(C)C ZINC001117633509 1095788163 /nfs/dbraw/zinc/78/81/63/1095788163.db2.gz RZXKSKVKHVRSDY-UONOGXRCSA-N 0 3 311.429 3.500 20 10 DGCDHN CC[C@@H](C)OCC[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC001172334449 1097116637 /nfs/dbraw/zinc/11/66/37/1097116637.db2.gz CNWFXQNVTHXDCC-IAGOWNOFSA-N 0 3 320.477 3.411 20 10 DGCDHN CCOCC[C@@H](C)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001172431145 1097139385 /nfs/dbraw/zinc/13/93/85/1097139385.db2.gz LKUFCCBWUODJEA-MRXNPFEDSA-N 0 3 306.450 3.022 20 10 DGCDHN COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001172797527 1097253261 /nfs/dbraw/zinc/25/32/61/1097253261.db2.gz IDLDQVIEIHDTCH-LSDHHAIUSA-N 0 3 305.418 3.221 20 10 DGCDHN CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC001231588171 1097785682 /nfs/dbraw/zinc/78/56/82/1097785682.db2.gz SUQYGONDOMGXIS-HXUWFJFHSA-N 0 3 324.424 3.132 20 10 DGCDHN CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC001231588171 1097785688 /nfs/dbraw/zinc/78/56/88/1097785688.db2.gz SUQYGONDOMGXIS-HXUWFJFHSA-N 0 3 324.424 3.132 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001231587431 1097785715 /nfs/dbraw/zinc/78/57/15/1097785715.db2.gz CCJBXSAEONGWPW-GOSISDBHSA-N 0 3 303.377 3.232 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001231587431 1097785719 /nfs/dbraw/zinc/78/57/19/1097785719.db2.gz CCJBXSAEONGWPW-GOSISDBHSA-N 0 3 303.377 3.232 20 10 DGCDHN Cc1ccc(CN2CCN(Cc3cccc(C)c3O)CC2)cc1 ZINC001231593443 1097786724 /nfs/dbraw/zinc/78/67/24/1097786724.db2.gz YRDZYJXRODLRQT-UHFFFAOYSA-N 0 3 310.441 3.327 20 10 DGCDHN Clc1cc(CN2CC3CC(C3)C2)ccc1N1CCOCC1 ZINC001232201048 1097963723 /nfs/dbraw/zinc/96/37/23/1097963723.db2.gz GCBDRYCACWBJLH-UHFFFAOYSA-N 0 3 306.837 3.018 20 10 DGCDHN CC[NH+](CC)C1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232268867 1097987982 /nfs/dbraw/zinc/98/79/82/1097987982.db2.gz VAQGQVXLQHSXAO-UHFFFAOYSA-N 0 3 312.841 3.057 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cccc(F)c1 ZINC001175418453 1098039278 /nfs/dbraw/zinc/03/92/78/1098039278.db2.gz KRNFBGZRBLYUHT-NWDGAFQWSA-N 0 3 302.349 3.209 20 10 DGCDHN CN(C)c1ccc(CN2CCc3c(F)cccc3C2)c(O)c1 ZINC001232841155 1098150736 /nfs/dbraw/zinc/15/07/36/1098150736.db2.gz VMAYWDURDPECFV-UHFFFAOYSA-N 0 3 300.377 3.156 20 10 DGCDHN Oc1cc(CN2CC[C@H](c3ccc(Cl)cc3)C2)cc(O)c1O ZINC001233017077 1098203657 /nfs/dbraw/zinc/20/36/57/1098203657.db2.gz REMOWOFLADDWIW-ZDUSSCGKSA-N 0 3 319.788 3.446 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001233284563 1098274573 /nfs/dbraw/zinc/27/45/73/1098274573.db2.gz ZLUVOKUJRAVKJX-HIFRSBDPSA-N 0 3 311.372 3.156 20 10 DGCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCCO3)CC2)c1[O-] ZINC001233289804 1098277456 /nfs/dbraw/zinc/27/74/56/1098277456.db2.gz PMUVMFASZQIKGY-UHFFFAOYSA-N 0 3 311.809 3.199 20 10 DGCDHN COCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC001233289915 1098277635 /nfs/dbraw/zinc/27/76/35/1098277635.db2.gz XSLBFUJSLQXXQJ-AWEZNQCLSA-N 0 3 313.825 3.445 20 10 DGCDHN COCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC001233289915 1098277641 /nfs/dbraw/zinc/27/76/41/1098277641.db2.gz XSLBFUJSLQXXQJ-AWEZNQCLSA-N 0 3 313.825 3.445 20 10 DGCDHN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cccc1OC(F)(F)F ZINC001233755248 1098423313 /nfs/dbraw/zinc/42/33/13/1098423313.db2.gz SOVMWCMVNJSHMK-GARJFASQSA-N 0 3 305.271 3.223 20 10 DGCDHN [O-]c1c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cccc1OC(F)(F)F ZINC001233755248 1098423315 /nfs/dbraw/zinc/42/33/15/1098423315.db2.gz SOVMWCMVNJSHMK-GARJFASQSA-N 0 3 305.271 3.223 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3[C@@H]4CC[C@H]3CC(=O)C4)c2c1 ZINC001234525512 1098581612 /nfs/dbraw/zinc/58/16/12/1098581612.db2.gz IOHBQZNZTYXGEF-OKILXGFUSA-N 0 3 311.381 3.250 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3[C@@H]4CC[C@H]3CC(=O)C4)c2c1 ZINC001234525512 1098581617 /nfs/dbraw/zinc/58/16/17/1098581617.db2.gz IOHBQZNZTYXGEF-OKILXGFUSA-N 0 3 311.381 3.250 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCC(=O)[C@@H](C)CC3)c2c1 ZINC001234526272 1098581680 /nfs/dbraw/zinc/58/16/80/1098581680.db2.gz SEOIOHMAZYMGLT-ZDUSSCGKSA-N 0 3 313.397 3.355 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC(=O)[C@@H](C)CC3)c2c1 ZINC001234526272 1098581685 /nfs/dbraw/zinc/58/16/85/1098581685.db2.gz SEOIOHMAZYMGLT-ZDUSSCGKSA-N 0 3 313.397 3.355 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC(=O)[C@@H](C)CC3)c2c1 ZINC001234526272 1098581695 /nfs/dbraw/zinc/58/16/95/1098581695.db2.gz SEOIOHMAZYMGLT-ZDUSSCGKSA-N 0 3 313.397 3.355 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H](C)COC(C)(C)C)cc2)CC1 ZINC001234657621 1098635274 /nfs/dbraw/zinc/63/52/74/1098635274.db2.gz FQRAMQPRZUFOPZ-MRXNPFEDSA-N 0 3 320.477 3.411 20 10 DGCDHN [O-]c1c(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)cccc1-c1ccccc1 ZINC001234993251 1098738855 /nfs/dbraw/zinc/73/88/55/1098738855.db2.gz XSZKLZCARJDPFX-PBHICJAKSA-N 0 3 315.388 3.212 20 10 DGCDHN [O-]c1c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)cccc1-c1ccccc1 ZINC001234993251 1098738862 /nfs/dbraw/zinc/73/88/62/1098738862.db2.gz XSZKLZCARJDPFX-PBHICJAKSA-N 0 3 315.388 3.212 20 10 DGCDHN CC(=O)N1CCN(Cc2cccc(-c3ccccc3)c2O)C[C@H]1C ZINC001234998477 1098740545 /nfs/dbraw/zinc/74/05/45/1098740545.db2.gz KHOXTTWAHKUPLT-OAHLLOKOSA-N 0 3 324.424 3.112 20 10 DGCDHN CC[N@H+](CCC(=O)OC)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234997554 1098741013 /nfs/dbraw/zinc/74/10/13/1098741013.db2.gz DYSBIBNNSDXNMR-UHFFFAOYSA-N 0 3 313.397 3.444 20 10 DGCDHN CC[N@@H+](CCC(=O)OC)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234997554 1098741020 /nfs/dbraw/zinc/74/10/20/1098741020.db2.gz DYSBIBNNSDXNMR-UHFFFAOYSA-N 0 3 313.397 3.444 20 10 DGCDHN Cc1cc([O-])c(CN2CCCC[C@@]23CCC[NH2+]C3)cc1Cl ZINC001235178837 1098861758 /nfs/dbraw/zinc/86/17/58/1098861758.db2.gz PBSZBJFVYVAQEP-KRWDZBQOSA-N 0 3 308.853 3.462 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CCC[C@H]3[NH2+]C[C@H]32)cc1Cl ZINC001235308241 1098953267 /nfs/dbraw/zinc/95/32/67/1098953267.db2.gz WHXGUJZJZWLUQO-HUUCEWRRSA-N 0 3 308.853 3.279 20 10 DGCDHN CCN(Cc1cnc(OC)c(Cl)c1)Cc1ccccc1O ZINC001235706910 1099139567 /nfs/dbraw/zinc/13/95/67/1099139567.db2.gz SHMPQMHIPBFYEG-UHFFFAOYSA-N 0 3 306.793 3.471 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1Cl ZINC001235988868 1099313470 /nfs/dbraw/zinc/31/34/70/1099313470.db2.gz ARVLLJYDYHUZSE-SJCJKPOMSA-N 0 3 308.853 3.266 20 10 DGCDHN CC(C)OCCN1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001180149392 1099331425 /nfs/dbraw/zinc/33/14/25/1099331425.db2.gz WPYABAVNMVCVSB-UHFFFAOYSA-N 0 3 320.477 3.058 20 10 DGCDHN CCC[N@H+](Cc1cc(C)c(C(=O)OC)[nH]1)Cc1ccccc1[O-] ZINC001180194323 1099349887 /nfs/dbraw/zinc/34/98/87/1099349887.db2.gz BVHSBCTWLSIYLO-UHFFFAOYSA-N 0 3 316.401 3.228 20 10 DGCDHN CCC[N@@H+](Cc1cc(C)c(C(=O)OC)[nH]1)Cc1ccccc1[O-] ZINC001180194323 1099349898 /nfs/dbraw/zinc/34/98/98/1099349898.db2.gz BVHSBCTWLSIYLO-UHFFFAOYSA-N 0 3 316.401 3.228 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1[O-] ZINC001180592989 1099467850 /nfs/dbraw/zinc/46/78/50/1099467850.db2.gz IMXZTKCGMRYTMN-KBPBESRZSA-N 0 3 311.809 3.101 20 10 DGCDHN Nc1ccc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC001236335660 1099544711 /nfs/dbraw/zinc/54/47/11/1099544711.db2.gz SIIAAURVUXNLMC-UHFFFAOYSA-N 0 3 300.377 3.493 20 10 DGCDHN CCN(Cc1c([O-])ccc(Cl)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236412111 1099585513 /nfs/dbraw/zinc/58/55/13/1099585513.db2.gz RBKLWURDLDUABU-JTQLQIEISA-N 0 3 303.233 3.130 20 10 DGCDHN CCc1ccc(C[NH+]2CCC(c3noc(C)n3)CC2)c([O-])c1 ZINC001236793836 1099788945 /nfs/dbraw/zinc/78/89/45/1099788945.db2.gz FQCDLYSFIANEGW-UHFFFAOYSA-N 0 3 301.390 3.026 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001236814090 1099801952 /nfs/dbraw/zinc/80/19/52/1099801952.db2.gz OXYOTYFAIIOXLX-INIZCTEOSA-N 0 3 313.397 3.363 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001236814090 1099801961 /nfs/dbraw/zinc/80/19/61/1099801961.db2.gz OXYOTYFAIIOXLX-INIZCTEOSA-N 0 3 313.397 3.363 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001236827464 1099812468 /nfs/dbraw/zinc/81/24/68/1099812468.db2.gz SLCUVODHRSLQSH-GOSISDBHSA-N 0 3 303.377 3.232 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001236827464 1099812474 /nfs/dbraw/zinc/81/24/74/1099812474.db2.gz SLCUVODHRSLQSH-GOSISDBHSA-N 0 3 303.377 3.232 20 10 DGCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001236834751 1099819780 /nfs/dbraw/zinc/81/97/80/1099819780.db2.gz BXUXAZGZFVRJLI-QGZVFWFLSA-N 0 3 313.397 3.273 20 10 DGCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001236834751 1099819793 /nfs/dbraw/zinc/81/97/93/1099819793.db2.gz BXUXAZGZFVRJLI-QGZVFWFLSA-N 0 3 313.397 3.273 20 10 DGCDHN Clc1cc(N2CCOCC2)ccc1CN1CC2CC(C2)C1 ZINC001236929303 1099880243 /nfs/dbraw/zinc/88/02/43/1099880243.db2.gz DPRWZCBSXJHLCD-UHFFFAOYSA-N 0 3 306.837 3.018 20 10 DGCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237045863 1099942929 /nfs/dbraw/zinc/94/29/29/1099942929.db2.gz LUDJHWAFHCNBIE-CZUORRHYSA-N 0 3 305.418 3.289 20 10 DGCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237045863 1099942936 /nfs/dbraw/zinc/94/29/36/1099942936.db2.gz LUDJHWAFHCNBIE-CZUORRHYSA-N 0 3 305.418 3.289 20 10 DGCDHN CC(C)c1ccc(CN2CCN(C)c3ncccc3C2)c(O)c1 ZINC001237048743 1099944774 /nfs/dbraw/zinc/94/47/74/1099944774.db2.gz OOVAENOETFCVKN-UHFFFAOYSA-N 0 3 311.429 3.363 20 10 DGCDHN COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049678 1099945538 /nfs/dbraw/zinc/94/55/38/1099945538.db2.gz RLZDDVXYZQZIMY-AWEZNQCLSA-N 0 3 305.418 3.291 20 10 DGCDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049678 1099945547 /nfs/dbraw/zinc/94/55/47/1099945547.db2.gz RLZDDVXYZQZIMY-AWEZNQCLSA-N 0 3 305.418 3.291 20 10 DGCDHN CCC(=O)N(C)C1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237055927 1099948170 /nfs/dbraw/zinc/94/81/70/1099948170.db2.gz SFOJFZLUSUJHCM-UHFFFAOYSA-N 0 3 318.461 3.348 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001237139919 1099989846 /nfs/dbraw/zinc/98/98/46/1099989846.db2.gz RBRQZJHFOUDEKR-AWEZNQCLSA-N 0 3 314.351 3.081 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001237139919 1099989855 /nfs/dbraw/zinc/98/98/55/1099989855.db2.gz RBRQZJHFOUDEKR-AWEZNQCLSA-N 0 3 314.351 3.081 20 10 DGCDHN Oc1ccc(C(F)(F)F)cc1CN1CCN(C2CCC2)CC1 ZINC001237138858 1099990951 /nfs/dbraw/zinc/99/09/51/1099990951.db2.gz ZPACAAMWUCNUJT-UHFFFAOYSA-N 0 3 314.351 3.081 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237142282 1099993026 /nfs/dbraw/zinc/99/30/26/1099993026.db2.gz GJWOWIBYKRUFNT-HZMBPMFUSA-N 0 3 301.308 3.022 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237142282 1099993017 /nfs/dbraw/zinc/99/30/17/1099993017.db2.gz GJWOWIBYKRUFNT-HZMBPMFUSA-N 0 3 301.308 3.022 20 10 DGCDHN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237146586 1099996662 /nfs/dbraw/zinc/99/66/62/1099996662.db2.gz VEKZOYDBEPQGQB-CYBMUJFWSA-N 0 3 303.324 3.146 20 10 DGCDHN CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237146586 1099996677 /nfs/dbraw/zinc/99/66/77/1099996677.db2.gz VEKZOYDBEPQGQB-CYBMUJFWSA-N 0 3 303.324 3.146 20 10 DGCDHN CN(C)c1ccc(CN2CCNC3=CCCC[C@H]32)c(Cl)c1 ZINC001237226833 1100040631 /nfs/dbraw/zinc/04/06/31/1100040631.db2.gz ZLZBBQBMROWMHF-QGZVFWFLSA-N 0 3 305.853 3.248 20 10 DGCDHN Oc1ccc(CN2CCC3(Cc4ccccc4N3)CC2)cc1O ZINC001237334279 1100082340 /nfs/dbraw/zinc/08/23/40/1100082340.db2.gz QXXGSKNRBHJGLW-UHFFFAOYSA-N 0 3 310.397 3.101 20 10 DGCDHN Cc1cccc(O)c1CN1CCN(Cc2ccccc2F)CC1 ZINC001237490138 1100140834 /nfs/dbraw/zinc/14/08/34/1100140834.db2.gz QCEKETKONIQRCR-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN CN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237646260 1100202246 /nfs/dbraw/zinc/20/22/46/1100202246.db2.gz MKMBYBIDSAMTRE-GOSISDBHSA-N 0 3 314.404 3.334 20 10 DGCDHN CN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237646260 1100202251 /nfs/dbraw/zinc/20/22/51/1100202251.db2.gz MKMBYBIDSAMTRE-GOSISDBHSA-N 0 3 314.404 3.334 20 10 DGCDHN Cc1cc([O-])c(C[N@H+](C)Cc2ccncc2)cc1Br ZINC001237678346 1100212577 /nfs/dbraw/zinc/21/25/77/1100212577.db2.gz YBYNHYXJVBYCDM-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+](C)Cc2ccncc2)cc1Br ZINC001237678346 1100212584 /nfs/dbraw/zinc/21/25/84/1100212584.db2.gz YBYNHYXJVBYCDM-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN Cc1cc(O)c(CN(C)Cc2ccncc2)cc1Br ZINC001237678346 1100212593 /nfs/dbraw/zinc/21/25/93/1100212593.db2.gz YBYNHYXJVBYCDM-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@](O)(CF)C2)c1[O-] ZINC001237681770 1100212936 /nfs/dbraw/zinc/21/29/36/1100212936.db2.gz RHGHKTFSOBVZBF-HNNXBMFYSA-N 0 3 301.789 3.041 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@](O)(CF)C2)c1[O-] ZINC001237681770 1100212945 /nfs/dbraw/zinc/21/29/45/1100212945.db2.gz RHGHKTFSOBVZBF-HNNXBMFYSA-N 0 3 301.789 3.041 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCc3c(=O)[nH]ccc3C2)c1O ZINC001237687465 1100213867 /nfs/dbraw/zinc/21/38/67/1100213867.db2.gz CKCDABRCJIYFDI-UHFFFAOYSA-N 0 3 304.777 3.013 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])[C@H]1C ZINC001237687149 1100214073 /nfs/dbraw/zinc/21/40/73/1100214073.db2.gz RMYPSTUCOQRNHI-SMDDNHRTSA-N 0 3 311.809 3.128 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])[C@H]1C ZINC001237687149 1100214076 /nfs/dbraw/zinc/21/40/76/1100214076.db2.gz RMYPSTUCOQRNHI-SMDDNHRTSA-N 0 3 311.809 3.128 20 10 DGCDHN CCO[C@@H]1CCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237683492 1100214443 /nfs/dbraw/zinc/21/44/43/1100214443.db2.gz BGVVKJMVWGTPHI-GFCCVEGCSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1[O-] ZINC001237687195 1100215444 /nfs/dbraw/zinc/21/54/44/1100215444.db2.gz VBCIQHJGERNREJ-INIZCTEOSA-N 0 3 318.804 3.402 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1[O-] ZINC001237687195 1100215450 /nfs/dbraw/zinc/21/54/50/1100215450.db2.gz VBCIQHJGERNREJ-INIZCTEOSA-N 0 3 318.804 3.402 20 10 DGCDHN COC(=O)CC[N@H+](Cc1cc(F)cc(C)c1[O-])C1CCCC1 ZINC001238061440 1100346834 /nfs/dbraw/zinc/34/68/34/1100346834.db2.gz HWFHWNPXQYCVHV-UHFFFAOYSA-N 0 3 309.381 3.147 20 10 DGCDHN COC(=O)CC[N@@H+](Cc1cc(F)cc(C)c1[O-])C1CCCC1 ZINC001238061440 1100346844 /nfs/dbraw/zinc/34/68/44/1100346844.db2.gz HWFHWNPXQYCVHV-UHFFFAOYSA-N 0 3 309.381 3.147 20 10 DGCDHN Oc1ccccc1CN(CCc1cnccn1)Cc1ccco1 ZINC001192011363 1100561387 /nfs/dbraw/zinc/56/13/87/1100561387.db2.gz BIGGISCVTRELTI-UHFFFAOYSA-N 0 3 309.369 3.020 20 10 DGCDHN CO[C@H]1CC[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887129 1101414851 /nfs/dbraw/zinc/41/48/51/1101414851.db2.gz FWACKQCCARECAJ-HZMBPMFUSA-N 0 3 311.809 3.248 20 10 DGCDHN COc1ccccc1C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882508 1101643929 /nfs/dbraw/zinc/64/39/29/1101643929.db2.gz JVCQZOIVKAJTEH-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN CCCCCCN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001201757397 1102719218 /nfs/dbraw/zinc/71/92/18/1102719218.db2.gz XWVIBXGWRLBMDI-UHFFFAOYSA-N 0 3 320.477 3.414 20 10 DGCDHN C[C@@H](O)[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001327264001 1103605660 /nfs/dbraw/zinc/60/56/60/1103605660.db2.gz NRICZDYLHXESRX-UZLBHIALSA-N 0 3 310.441 3.499 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275217494 1104680542 /nfs/dbraw/zinc/68/05/42/1104680542.db2.gz QLWHQWXMHUZPMR-SUMWQHHRSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001275217494 1104680544 /nfs/dbraw/zinc/68/05/44/1104680544.db2.gz QLWHQWXMHUZPMR-SUMWQHHRSA-N 0 3 320.864 3.494 20 10 DGCDHN COC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224247 1105249439 /nfs/dbraw/zinc/24/94/39/1105249439.db2.gz WEHOOIJMPMEWEO-AWEZNQCLSA-N 0 3 303.402 3.187 20 10 DGCDHN COC[C@@H]1CCC[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224247 1105249441 /nfs/dbraw/zinc/24/94/41/1105249441.db2.gz WEHOOIJMPMEWEO-AWEZNQCLSA-N 0 3 303.402 3.187 20 10 DGCDHN CC(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2[O-])cc1 ZINC001250768774 1105579997 /nfs/dbraw/zinc/57/99/97/1105579997.db2.gz GOSYDYXHDGLMNT-KRWDZBQOSA-N 0 3 315.413 3.045 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252394372 1105775963 /nfs/dbraw/zinc/77/59/63/1105775963.db2.gz NQWCNBHYFRJONR-QGZVFWFLSA-N 0 3 323.392 3.075 20 10 DGCDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1[O-] ZINC001254568283 1106105806 /nfs/dbraw/zinc/10/58/06/1106105806.db2.gz YTBAZWMRIGQXCH-ZDUSSCGKSA-N 0 3 300.358 3.363 20 10 DGCDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1[O-] ZINC001254568283 1106105808 /nfs/dbraw/zinc/10/58/08/1106105808.db2.gz YTBAZWMRIGQXCH-ZDUSSCGKSA-N 0 3 300.358 3.363 20 10 DGCDHN Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cnn1C ZINC001254720968 1106135882 /nfs/dbraw/zinc/13/58/82/1106135882.db2.gz DVZUUCSGHONERI-BHDSKKPTSA-N 0 3 303.381 3.472 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C1 ZINC001255353878 1106230803 /nfs/dbraw/zinc/23/08/03/1106230803.db2.gz QADGLMYITJHCSI-HUUCEWRRSA-N 0 3 305.418 3.221 20 10 DGCDHN COC(=O)c1cccc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC001321560105 1107379682 /nfs/dbraw/zinc/37/96/82/1107379682.db2.gz WPLZZNDBWFVDHT-UHFFFAOYSA-N 0 3 324.424 3.145 20 10 DGCDHN CO[C@H](CNCc1cc(F)c(N(C)C)cc1F)C(C)(C)C ZINC001261787037 1107528907 /nfs/dbraw/zinc/52/89/07/1107528907.db2.gz BAOXXOFDUNMIJW-OAHLLOKOSA-N 0 3 300.393 3.182 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)cc1 ZINC001324793551 1108466970 /nfs/dbraw/zinc/46/69/70/1108466970.db2.gz QKQFWWWUHLJLPC-UHFFFAOYSA-N 0 3 300.450 3.405 20 10 DGCDHN CC(C)(C)c1cc(CNCc2nnc[nH]2)c(O)c(C(C)(C)C)c1 ZINC001308558897 1111443637 /nfs/dbraw/zinc/44/36/37/1111443637.db2.gz RFSLGVFMDDKZLV-UHFFFAOYSA-N 0 3 316.449 3.395 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c([O-])c1 ZINC001308758417 1111470954 /nfs/dbraw/zinc/47/09/54/1111470954.db2.gz SGYYLSANQTUSGM-HUUCEWRRSA-N 0 3 307.434 3.225 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c([O-])c1 ZINC001308758417 1111470957 /nfs/dbraw/zinc/47/09/57/1111470957.db2.gz SGYYLSANQTUSGM-HUUCEWRRSA-N 0 3 307.434 3.225 20 10 DGCDHN Cc1cc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000106856776 432023044 /nfs/dbraw/zinc/02/30/44/432023044.db2.gz PQZMJKQPOACTBB-OAHLLOKOSA-N 0 3 320.433 3.108 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000091960312 193133364 /nfs/dbraw/zinc/13/33/64/193133364.db2.gz QQROXWRHXDPXKM-GOEBONIOSA-N 0 3 315.417 3.071 20 10 DGCDHN CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000091960312 193133366 /nfs/dbraw/zinc/13/33/66/193133366.db2.gz QQROXWRHXDPXKM-GOEBONIOSA-N 0 3 315.417 3.071 20 10 DGCDHN CCCCN(C)C(=O)C1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000092145893 193167543 /nfs/dbraw/zinc/16/75/43/193167543.db2.gz DDVYGMIHHCDVBQ-UHFFFAOYSA-N 0 3 318.461 3.171 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1[O-] ZINC000183432606 296131943 /nfs/dbraw/zinc/13/19/43/296131943.db2.gz DDXLYPKNEYERAD-CXAGYDPISA-N 0 3 302.393 3.485 20 10 DGCDHN COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)c1 ZINC000272831033 130067920 /nfs/dbraw/zinc/06/79/20/130067920.db2.gz HXJTUFCFCCSTLC-LSDHHAIUSA-N 0 3 312.413 3.330 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1[O-] ZINC000272875675 130071549 /nfs/dbraw/zinc/07/15/49/130071549.db2.gz PQGLMAMKLHAZHA-OAHLLOKOSA-N 0 3 312.413 3.080 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000273028951 130084074 /nfs/dbraw/zinc/08/40/74/130084074.db2.gz FWWPWYXNPXKFOC-GJZGRUSLSA-N 0 3 307.434 3.476 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c([O-])c1C ZINC000273467882 130125048 /nfs/dbraw/zinc/12/50/48/130125048.db2.gz FCGUOKZOLNZVSO-WMLDXEAASA-N 0 3 308.491 3.097 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c([O-])c1C ZINC000273467885 130125463 /nfs/dbraw/zinc/12/54/63/130125463.db2.gz FCGUOKZOLNZVSO-YOEHRIQHSA-N 0 3 308.491 3.097 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](O)c1cccc(F)c1 ZINC000273533275 130134099 /nfs/dbraw/zinc/13/40/99/130134099.db2.gz WUXVQHMWWYFPGO-RVPKQNPDSA-N 0 3 307.340 3.443 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1[O-] ZINC000273692957 130153756 /nfs/dbraw/zinc/15/37/56/130153756.db2.gz BOQYNNNJIMSVIN-ZDUSSCGKSA-N 0 3 311.809 3.246 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000273723025 130158988 /nfs/dbraw/zinc/15/89/88/130158988.db2.gz ISHUPWOPHZTTGZ-RYUDHWBXSA-N 0 3 313.825 3.349 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1[O-] ZINC000273750124 130162199 /nfs/dbraw/zinc/16/21/99/130162199.db2.gz NJTUJRAGBHBAFT-LLVKDONJSA-N 0 3 321.808 3.157 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1[O-] ZINC000273750124 130162200 /nfs/dbraw/zinc/16/22/00/130162200.db2.gz NJTUJRAGBHBAFT-LLVKDONJSA-N 0 3 321.808 3.157 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC000274399049 130231267 /nfs/dbraw/zinc/23/12/67/130231267.db2.gz MLDAXXZNUNCJMB-CYBMUJFWSA-N 0 3 308.422 3.012 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)CCO)c1[O-] ZINC000275346222 130308506 /nfs/dbraw/zinc/30/85/06/130308506.db2.gz PSMOSFVAZFJOGW-KOLCDFICSA-N 0 3 316.239 3.132 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1[O-] ZINC000283374794 130985475 /nfs/dbraw/zinc/98/54/75/130985475.db2.gz OHCUTICLQFDTSP-QILLFSRXSA-N 0 3 319.445 3.001 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000284975045 131127311 /nfs/dbraw/zinc/12/73/11/131127311.db2.gz FWEVTFBMXSXRGN-RHSMWYFYSA-N 0 3 317.404 3.402 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])[C@]12CCCO2 ZINC000285394044 131164530 /nfs/dbraw/zinc/16/45/30/131164530.db2.gz WVUFQYIHZVLISX-NOCIGQNYSA-N 0 3 319.445 3.386 20 10 DGCDHN COc1cccc(C[NH2+]CCCc2ccc3c(c2)CCO3)c1[O-] ZINC000289186377 131364660 /nfs/dbraw/zinc/36/46/60/131364660.db2.gz BAHVVOSCHDYQDV-UHFFFAOYSA-N 0 3 313.397 3.058 20 10 DGCDHN OC[C@]1(F)CCCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000289379515 131380630 /nfs/dbraw/zinc/38/06/30/131380630.db2.gz BRHKQNUOSUMIES-IBGZPJMESA-N 0 3 315.388 3.356 20 10 DGCDHN COc1cccc(CN(CCN(C)C)Cc2cccs2)c1O ZINC000289481670 131389892 /nfs/dbraw/zinc/38/98/92/131389892.db2.gz QPWKTALRRBKHKU-UHFFFAOYSA-N 0 3 320.458 3.026 20 10 DGCDHN Cc1cnccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294502048 131839279 /nfs/dbraw/zinc/83/92/79/131839279.db2.gz BJYPJLQFGAHROJ-GOSISDBHSA-N 0 3 312.413 3.277 20 10 DGCDHN CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297651727 132026757 /nfs/dbraw/zinc/02/67/57/132026757.db2.gz KEVDJAXVUBHCTC-QGZVFWFLSA-N 0 3 324.424 3.018 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1OC ZINC000160383072 286238983 /nfs/dbraw/zinc/23/89/83/286238983.db2.gz IVZFWFNBTRBSSD-GUYCJALGSA-N 0 3 323.458 3.269 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1OC ZINC000160383072 286238984 /nfs/dbraw/zinc/23/89/84/286238984.db2.gz IVZFWFNBTRBSSD-GUYCJALGSA-N 0 3 323.458 3.269 20 10 DGCDHN COc1cc(O)c(CN2CCS[C@H]3CCCC[C@@H]32)cc1OC ZINC000160383072 286238985 /nfs/dbraw/zinc/23/89/85/286238985.db2.gz IVZFWFNBTRBSSD-GUYCJALGSA-N 0 3 323.458 3.269 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCN(c3ccccc3)C1)CC2 ZINC000295989330 275061628 /nfs/dbraw/zinc/06/16/28/275061628.db2.gz NPYWSVLNKVUKAC-CRAIPNDOSA-N 0 3 308.425 3.496 20 10 DGCDHN CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccs1 ZINC000295992086 276792595 /nfs/dbraw/zinc/79/25/95/276792595.db2.gz NTQKXIJTGTXCKK-ZIAGYGMSSA-N 0 3 302.443 3.334 20 10 DGCDHN COCCC[N@H+](CCOC)Cc1c([O-])ccc2ccccc21 ZINC000068963698 431151936 /nfs/dbraw/zinc/15/19/36/431151936.db2.gz GTYZXRHAWWRYMH-UHFFFAOYSA-N 0 3 303.402 3.030 20 10 DGCDHN COCCC[N@@H+](CCOC)Cc1c([O-])ccc2ccccc21 ZINC000068963698 431151943 /nfs/dbraw/zinc/15/19/43/431151943.db2.gz GTYZXRHAWWRYMH-UHFFFAOYSA-N 0 3 303.402 3.030 20 10 DGCDHN CN(Cc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000071004396 431270799 /nfs/dbraw/zinc/27/07/99/431270799.db2.gz GPOIXIKIQSJVHD-UHFFFAOYSA-N 0 3 314.404 3.294 20 10 DGCDHN CN(C)c1ccc(CN[C@@H]2CCc3c2cccc3O)cc1F ZINC000113337303 431342735 /nfs/dbraw/zinc/34/27/35/431342735.db2.gz SRNNSKIQTJTFDT-MRXNPFEDSA-N 0 3 300.377 3.374 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)CC2 ZINC000296199990 280454450 /nfs/dbraw/zinc/45/44/50/280454450.db2.gz YWDVIJUBWJBULJ-HOTGVXAUSA-N 0 3 312.413 3.399 20 10 DGCDHN COc1ccc([C@@H](C)[N@H+](C)Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000125833092 431936915 /nfs/dbraw/zinc/93/69/15/431936915.db2.gz WBBBJEBOUPLDCA-GFCCVEGCSA-N 0 3 315.369 3.323 20 10 DGCDHN COc1ccc([C@@H](C)[N@@H+](C)Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000125833092 431936917 /nfs/dbraw/zinc/93/69/17/431936917.db2.gz WBBBJEBOUPLDCA-GFCCVEGCSA-N 0 3 315.369 3.323 20 10 DGCDHN COc1ccc([C@@H](C)N(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000125833092 431936920 /nfs/dbraw/zinc/93/69/20/431936920.db2.gz WBBBJEBOUPLDCA-GFCCVEGCSA-N 0 3 315.369 3.323 20 10 DGCDHN COc1cc(CN(C)Cc2cc(C)c(C)cc2O)ccc1O ZINC000125964371 431939768 /nfs/dbraw/zinc/93/97/68/431939768.db2.gz IZWVLMWBWKEKMG-UHFFFAOYSA-N 0 3 301.386 3.355 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000126048426 431941388 /nfs/dbraw/zinc/94/13/88/431941388.db2.gz CTJBMMQCDTVMKY-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN COCCOC[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000173390807 432276117 /nfs/dbraw/zinc/27/61/17/432276117.db2.gz ZWKAMWXZHVFJKD-OAHLLOKOSA-N 0 3 315.413 3.030 20 10 DGCDHN COCCOC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000173390807 432276120 /nfs/dbraw/zinc/27/61/20/432276120.db2.gz ZWKAMWXZHVFJKD-OAHLLOKOSA-N 0 3 315.413 3.030 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183513728 432299307 /nfs/dbraw/zinc/29/93/07/432299307.db2.gz HQESWEFCHRXNRH-KGLIPLIRSA-N 0 3 320.433 3.442 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000248890281 432326760 /nfs/dbraw/zinc/32/67/60/432326760.db2.gz RYDHCBMZDNAAAC-SMDDNHRTSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000248890281 432326763 /nfs/dbraw/zinc/32/67/63/432326763.db2.gz RYDHCBMZDNAAAC-SMDDNHRTSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)C2Cc3ccccc3C2)cc1OC ZINC000271096921 432328569 /nfs/dbraw/zinc/32/85/69/432328569.db2.gz NCJHIAYJCNSXKD-UHFFFAOYSA-N 0 3 313.397 3.009 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)C2Cc3ccccc3C2)cc1OC ZINC000271096921 432328573 /nfs/dbraw/zinc/32/85/73/432328573.db2.gz NCJHIAYJCNSXKD-UHFFFAOYSA-N 0 3 313.397 3.009 20 10 DGCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000271150116 432338476 /nfs/dbraw/zinc/33/84/76/432338476.db2.gz KBVWQWUMSCEAQA-UHFFFAOYSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(O)c(CN2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000271150116 432338479 /nfs/dbraw/zinc/33/84/79/432338479.db2.gz KBVWQWUMSCEAQA-UHFFFAOYSA-N 0 3 305.418 3.254 20 10 DGCDHN C[C@H](NCc1cccnc1OCC(F)F)c1ccccc1O ZINC000183633494 432311076 /nfs/dbraw/zinc/31/10/76/432311076.db2.gz XOUJGSTUQMYSHI-NSHDSACASA-N 0 3 308.328 3.282 20 10 DGCDHN CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183671533 432314253 /nfs/dbraw/zinc/31/42/53/432314253.db2.gz NJWIYYZREKSAIO-ZDUSSCGKSA-N 0 3 319.426 3.037 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000271302101 432371841 /nfs/dbraw/zinc/37/18/41/432371841.db2.gz UMKXDXHEYUTGEC-NVXWUHKLSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000271302101 432371847 /nfs/dbraw/zinc/37/18/47/432371847.db2.gz UMKXDXHEYUTGEC-NVXWUHKLSA-N 0 3 301.386 3.382 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@@H](C)CCc2ccco2)cc1OC ZINC000271912499 432428503 /nfs/dbraw/zinc/42/85/03/432428503.db2.gz MPHMOJCFAMCGDS-LBPRGKRZSA-N 0 3 305.374 3.113 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCCC2)c1 ZINC000192952708 432433548 /nfs/dbraw/zinc/43/35/48/432433548.db2.gz LBPHKOZSQDCEKT-YOEHRIQHSA-N 0 3 306.450 3.172 20 10 DGCDHN C[C@@](O)(C[NH2+]Cc1cc(F)ccc1[O-])c1cccc(Cl)c1 ZINC000184961901 432449754 /nfs/dbraw/zinc/44/97/54/432449754.db2.gz SAEMNYIZVQCGAT-MRXNPFEDSA-N 0 3 309.768 3.182 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1OC ZINC000271840659 432427190 /nfs/dbraw/zinc/42/71/90/432427190.db2.gz QPAOJLMUSFHOPL-GUYCJALGSA-N 0 3 323.433 3.093 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000185206743 432477471 /nfs/dbraw/zinc/47/74/71/432477471.db2.gz SFFWNLMLNYQFHO-BBWFWOEESA-N 0 3 320.477 3.241 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000185206759 432477735 /nfs/dbraw/zinc/47/77/35/432477735.db2.gz SFFWNLMLNYQFHO-BRWVUGGUSA-N 0 3 320.477 3.241 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1[O-] ZINC000193504256 432478128 /nfs/dbraw/zinc/47/81/28/432478128.db2.gz BQVGLWQCVIKKPR-GXTWGEPZSA-N 0 3 316.367 3.317 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1 ZINC000185251467 432482853 /nfs/dbraw/zinc/48/28/53/432482853.db2.gz RHPCTCZVFSHGOQ-HNNXBMFYSA-N 0 3 304.434 3.144 20 10 DGCDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(C)cc1O ZINC000185350738 432494091 /nfs/dbraw/zinc/49/40/91/432494091.db2.gz DDUVKJMWFZIBQT-GFCCVEGCSA-N 0 3 316.357 3.468 20 10 DGCDHN C[C@@H]([NH2+]CCSCCCO)c1cc2c(cc1[O-])CCCC2 ZINC000185378964 432496438 /nfs/dbraw/zinc/49/64/38/432496438.db2.gz QSFRAISEBOKNJH-CYBMUJFWSA-N 0 3 309.475 3.037 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000185443442 432500327 /nfs/dbraw/zinc/50/03/27/432500327.db2.gz CSCQZFRRENBZMA-ZDUSSCGKSA-N 0 3 314.385 3.080 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000185464542 432501783 /nfs/dbraw/zinc/50/17/83/432501783.db2.gz JCKJCBHTNUODRR-HOCLYGCPSA-N 0 3 324.424 3.436 20 10 DGCDHN COC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000186034576 432554807 /nfs/dbraw/zinc/55/48/07/432554807.db2.gz OKPUNASCMZQKHG-GUYCJALGSA-N 0 3 301.386 3.439 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(CCO)CCCCC2)c1 ZINC000185669431 432521932 /nfs/dbraw/zinc/52/19/32/432521932.db2.gz BNZGGYROSRJRJJ-CQSZACIVSA-N 0 3 307.434 3.384 20 10 DGCDHN COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185827233 432536023 /nfs/dbraw/zinc/53/60/23/432536023.db2.gz OAIAEYVYEDYWBO-SJCJKPOMSA-N 0 3 319.376 3.314 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000194374219 432547027 /nfs/dbraw/zinc/54/70/27/432547027.db2.gz OZHAHVUOISOQRU-AWEZNQCLSA-N 0 3 323.396 3.437 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273463291 432601600 /nfs/dbraw/zinc/60/16/00/432601600.db2.gz IMZFUKAJVSFDHZ-CRAIPNDOSA-N 0 3 324.424 3.152 20 10 DGCDHN CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178095501 432693105 /nfs/dbraw/zinc/69/31/05/432693105.db2.gz PXSWNLOMTSHLBA-XJKSGUPXSA-N 0 3 305.466 3.097 20 10 DGCDHN CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000178095527 432693468 /nfs/dbraw/zinc/69/34/68/432693468.db2.gz PXSWNLOMTSHLBA-CZUORRHYSA-N 0 3 305.466 3.097 20 10 DGCDHN CC[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000178182196 432704450 /nfs/dbraw/zinc/70/44/50/432704450.db2.gz QPSQYJHJTSKGLK-SFHVURJKSA-N 0 3 311.429 3.092 20 10 DGCDHN CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000227444807 432712169 /nfs/dbraw/zinc/71/21/69/432712169.db2.gz ZLSNWUXERQZLIN-CQSZACIVSA-N 0 3 320.433 3.129 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+]CCc1ccc(Cl)s1)OCO2 ZINC000227441235 432712464 /nfs/dbraw/zinc/71/24/64/432712464.db2.gz BPTVIOZIELXLJS-UHFFFAOYSA-N 0 3 311.790 3.168 20 10 DGCDHN Cc1cccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c1[O-] ZINC000224867814 432684184 /nfs/dbraw/zinc/68/41/84/432684184.db2.gz NTLBPRHERMDDCV-OAHLLOKOSA-N 0 3 320.433 3.094 20 10 DGCDHN C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000187904734 432691613 /nfs/dbraw/zinc/69/16/13/432691613.db2.gz KZCGWMMDDDTUOU-SCLBCKFNSA-N 0 3 303.377 3.480 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCn1cnc3ccccc31)CC2 ZINC000296218076 432884234 /nfs/dbraw/zinc/88/42/34/432884234.db2.gz ZSBDSBRMOHAUBY-MRXNPFEDSA-N 0 3 307.397 3.409 20 10 DGCDHN C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(F)ccc1[O-] ZINC000278186043 432889356 /nfs/dbraw/zinc/88/93/56/432889356.db2.gz BVQQTYFKWQWAHE-QMMMGPOBSA-N 0 3 313.266 3.099 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)CC2 ZINC000296880578 432934175 /nfs/dbraw/zinc/93/41/75/432934175.db2.gz OFXLXUWDLKAWPN-GDBMZVCRSA-N 0 3 321.779 3.495 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)CC2 ZINC000296883266 432935069 /nfs/dbraw/zinc/93/50/69/432935069.db2.gz OFXLXUWDLKAWPN-HOCLYGCPSA-N 0 3 321.779 3.495 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000278590831 432896517 /nfs/dbraw/zinc/89/65/17/432896517.db2.gz YWYLHMXJQXFCMM-JTQLQIEISA-N 0 3 309.303 3.268 20 10 DGCDHN C[C@@H](c1cc(F)ccc1[O-])[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296473750 432912257 /nfs/dbraw/zinc/91/22/57/432912257.db2.gz NWKCNZQLWZXDSY-QWHCGFSZSA-N 0 3 322.424 3.206 20 10 DGCDHN C[C@@H](c1cc(F)ccc1[O-])[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296473750 432912261 /nfs/dbraw/zinc/91/22/61/432912261.db2.gz NWKCNZQLWZXDSY-QWHCGFSZSA-N 0 3 322.424 3.206 20 10 DGCDHN C[C@H](c1cc(F)ccc1[O-])[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296473744 432912369 /nfs/dbraw/zinc/91/23/69/432912369.db2.gz NWKCNZQLWZXDSY-CHWSQXEVSA-N 0 3 322.424 3.206 20 10 DGCDHN C[C@H](c1cc(F)ccc1[O-])[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296473744 432912370 /nfs/dbraw/zinc/91/23/70/432912370.db2.gz NWKCNZQLWZXDSY-CHWSQXEVSA-N 0 3 322.424 3.206 20 10 DGCDHN CSC1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000289031856 432915057 /nfs/dbraw/zinc/91/50/57/432915057.db2.gz HBEVNIUDOBPDIA-HNNXBMFYSA-N 0 3 307.459 3.269 20 10 DGCDHN CSC1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000289031856 432915060 /nfs/dbraw/zinc/91/50/60/432915060.db2.gz HBEVNIUDOBPDIA-HNNXBMFYSA-N 0 3 307.459 3.269 20 10 DGCDHN Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1C ZINC000289699164 432970415 /nfs/dbraw/zinc/97/04/15/432970415.db2.gz ONQIFPFUUHOWGF-KGLIPLIRSA-N 0 3 317.351 3.002 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1C ZINC000289699164 432970420 /nfs/dbraw/zinc/97/04/20/432970420.db2.gz ONQIFPFUUHOWGF-KGLIPLIRSA-N 0 3 317.351 3.002 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1C ZINC000289699164 432970424 /nfs/dbraw/zinc/97/04/24/432970424.db2.gz ONQIFPFUUHOWGF-KGLIPLIRSA-N 0 3 317.351 3.002 20 10 DGCDHN CCOC1CC2(C1)CCN(Cc1ccc(N(C)C)c(F)c1)C2 ZINC000289789232 432975395 /nfs/dbraw/zinc/97/53/95/432975395.db2.gz RXFVSTAUTFIJBX-UHFFFAOYSA-N 0 3 306.425 3.283 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(C)cc1[O-] ZINC000280073924 433001799 /nfs/dbraw/zinc/00/17/99/433001799.db2.gz LDXBCKSDMBKQJT-WBVHZDCISA-N 0 3 308.491 3.179 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000280144623 433005395 /nfs/dbraw/zinc/00/53/95/433005395.db2.gz PVYGNYNMLVEWOO-QGZVFWFLSA-N 0 3 312.413 3.301 20 10 DGCDHN CCOCC(C)(C)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000290180424 433006422 /nfs/dbraw/zinc/00/64/22/433006422.db2.gz NQYYCRXVSSBYHJ-UHFFFAOYSA-N 0 3 301.814 3.207 20 10 DGCDHN CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000280233403 433020539 /nfs/dbraw/zinc/02/05/39/433020539.db2.gz VKSXAKOCNDAMPZ-AEFFLSMTSA-N 0 3 320.477 3.242 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000290286975 433027578 /nfs/dbraw/zinc/02/75/78/433027578.db2.gz ZSRKZCRAGLKNMY-HNNXBMFYSA-N 0 3 309.768 3.398 20 10 DGCDHN CN1CCC([C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000290605301 433113289 /nfs/dbraw/zinc/11/32/89/433113289.db2.gz WGKMVTGBPCHZNX-AWEZNQCLSA-N 0 3 308.853 3.209 20 10 DGCDHN CN1CCC([C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000290605301 433113299 /nfs/dbraw/zinc/11/32/99/433113299.db2.gz WGKMVTGBPCHZNX-AWEZNQCLSA-N 0 3 308.853 3.209 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCOCC3(CCCC3)C2)c1[O-] ZINC000373567473 433157592 /nfs/dbraw/zinc/15/75/92/433157592.db2.gz ITSWTHRUAKKEGR-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCOCC3(CCCC3)C2)c1[O-] ZINC000373567473 433157600 /nfs/dbraw/zinc/15/76/00/433157600.db2.gz ITSWTHRUAKKEGR-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN Cc1cc(O)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1C ZINC000290819802 433177427 /nfs/dbraw/zinc/17/74/27/433177427.db2.gz GSMXLCJCWCYURR-OAHLLOKOSA-N 0 3 305.809 3.306 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1C ZINC000291185429 433228004 /nfs/dbraw/zinc/22/80/04/433228004.db2.gz FZTFUMBZENSKMN-HXUWFJFHSA-N 0 3 311.425 3.145 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1C ZINC000291185429 433228010 /nfs/dbraw/zinc/22/80/10/433228010.db2.gz FZTFUMBZENSKMN-HXUWFJFHSA-N 0 3 311.425 3.145 20 10 DGCDHN COc1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1[O-] ZINC000291655997 433301078 /nfs/dbraw/zinc/30/10/78/433301078.db2.gz UYOPLLQODPTOEU-QGZVFWFLSA-N 0 3 324.424 3.038 20 10 DGCDHN COc1cccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1[O-] ZINC000291655997 433301085 /nfs/dbraw/zinc/30/10/85/433301085.db2.gz UYOPLLQODPTOEU-QGZVFWFLSA-N 0 3 324.424 3.038 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000282411437 433598751 /nfs/dbraw/zinc/59/87/51/433598751.db2.gz ZCNWNIVPQFDKIZ-ZIAGYGMSSA-N 0 3 307.434 3.474 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000293014784 433607772 /nfs/dbraw/zinc/60/77/72/433607772.db2.gz OJMISBSALYMEBC-UHFFFAOYSA-N 0 3 315.388 3.413 20 10 DGCDHN CCC[C@@H](C)C(=O)NCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000293700190 433834558 /nfs/dbraw/zinc/83/45/58/433834558.db2.gz LZBRVRQGFTYYSA-GDBMZVCRSA-N 0 3 306.450 3.294 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1F ZINC000378338181 434145431 /nfs/dbraw/zinc/14/54/31/434145431.db2.gz XXXGJUVIJITZBH-HNNXBMFYSA-N 0 3 316.424 3.005 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H](CC)COCC(F)(F)F)c1[O-] ZINC000295099209 434201360 /nfs/dbraw/zinc/20/13/60/434201360.db2.gz KGEKUOSKSFGRDQ-LBPRGKRZSA-N 0 3 321.339 3.238 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2[O-])[C@]12CCCO2 ZINC000364338592 434267213 /nfs/dbraw/zinc/26/72/13/434267213.db2.gz BDAVBMJSUJENQV-BZZMCLGOSA-N 0 3 305.418 3.160 20 10 DGCDHN Cc1cc([O-])c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1C ZINC000368248517 434570202 /nfs/dbraw/zinc/57/02/02/434570202.db2.gz FDQCQUWCIMOPKS-INIZCTEOSA-N 0 3 319.445 3.027 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc2c(cc1[O-])CCCC2 ZINC000370397819 434611054 /nfs/dbraw/zinc/61/10/54/434611054.db2.gz OHHSYNIFKDYKCA-BLLLJJGKSA-N 0 3 311.429 3.202 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c1 ZINC000371426695 434700320 /nfs/dbraw/zinc/70/03/20/434700320.db2.gz YUUANIZCFRSIBS-CQSZACIVSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c1 ZINC000371426695 434700327 /nfs/dbraw/zinc/70/03/27/434700327.db2.gz YUUANIZCFRSIBS-CQSZACIVSA-N 0 3 313.397 3.399 20 10 DGCDHN Cc1noc(C2(C)CC[NH+](Cc3cc(C)c(C)cc3[O-])CC2)n1 ZINC000360991778 434757472 /nfs/dbraw/zinc/75/74/72/434757472.db2.gz XBFGSAYBVWZGQO-UHFFFAOYSA-N 0 3 315.417 3.254 20 10 DGCDHN Cc1ccc([C@@H](C)N[C@H]2Cc3ccccc3NC2=O)c(O)c1C ZINC000528001793 435018464 /nfs/dbraw/zinc/01/84/64/435018464.db2.gz PWUOJJHLIJFDGB-DYVFJYSZSA-N 0 3 310.397 3.223 20 10 DGCDHN Cc1ccc2c(c1)N(C(=O)c1cccc3c1CCNC3)CCC2 ZINC000662596503 436367383 /nfs/dbraw/zinc/36/73/83/436367383.db2.gz RCYRLHAWUXTHFV-UHFFFAOYSA-N 0 3 306.409 3.234 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000293515013 335111455 /nfs/dbraw/zinc/11/14/55/335111455.db2.gz ANDNJVWPGDDUGR-SFHVURJKSA-N 0 3 317.429 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000293515013 335111456 /nfs/dbraw/zinc/11/14/56/335111456.db2.gz ANDNJVWPGDDUGR-SFHVURJKSA-N 0 3 317.429 3.182 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c([O-])c1 ZINC000185184359 333205372 /nfs/dbraw/zinc/20/53/72/333205372.db2.gz ZLBQVIREFXGLIN-GJZGRUSLSA-N 0 3 312.413 3.056 20 10 DGCDHN CC(=O)NC1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293594516 334199370 /nfs/dbraw/zinc/19/93/70/334199370.db2.gz FSCFFZVKQWUDMT-JEYLPNPQSA-N 0 3 304.434 3.107 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC([NH+]3CCCC3)CC2)c1[O-] ZINC000184678026 533952888 /nfs/dbraw/zinc/95/28/88/533952888.db2.gz DRJWMXANUXKFFM-UHFFFAOYSA-N 0 3 324.852 3.114 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000267156844 521155304 /nfs/dbraw/zinc/15/53/04/521155304.db2.gz DSUYCDUQTLLURH-KZULUSFZSA-N 0 3 319.376 3.142 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000267156843 521155666 /nfs/dbraw/zinc/15/56/66/521155666.db2.gz DSUYCDUQTLLURH-KPZWWZAWSA-N 0 3 319.376 3.142 20 10 DGCDHN CCOc1cccc(CN(C)Cc2ccc(O)c(OC)c2)c1O ZINC000179943871 521333516 /nfs/dbraw/zinc/33/35/16/521333516.db2.gz MSAOOXZCPDURAI-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000267203725 521371647 /nfs/dbraw/zinc/37/16/47/521371647.db2.gz PEKBVCDNJZYAGG-YVEFUNNKSA-N 0 3 319.376 3.142 20 10 DGCDHN CCOC1CC(CC[NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000187978226 521644969 /nfs/dbraw/zinc/64/49/69/521644969.db2.gz TZYMGBNYRQJLIG-UHFFFAOYSA-N 0 3 313.825 3.349 20 10 DGCDHN COc1cc([O-])c(C[NH2+]CCc2ccc(F)c(F)c2)cc1OC ZINC000191496297 522777723 /nfs/dbraw/zinc/77/77/23/522777723.db2.gz IRDPRCDTDFOIDL-UHFFFAOYSA-N 0 3 323.339 3.020 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000182894557 524772040 /nfs/dbraw/zinc/77/20/40/524772040.db2.gz NAOABWBHZXUEAA-GOEBONIOSA-N 0 3 315.413 3.045 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cccc(NC(C)=O)c2)c1 ZINC000182447842 524772372 /nfs/dbraw/zinc/77/23/72/524772372.db2.gz HFHHKMUXKCTFLM-LBPRGKRZSA-N 0 3 314.385 3.210 20 10 DGCDHN C[C@H](NCCC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000128673270 525328255 /nfs/dbraw/zinc/32/82/55/525328255.db2.gz VEODAPRERQCGRL-HNNXBMFYSA-N 0 3 317.477 3.242 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183513710 525607613 /nfs/dbraw/zinc/60/76/13/525607613.db2.gz HQESWEFCHRXNRH-KBPBESRZSA-N 0 3 320.433 3.442 20 10 DGCDHN Cc1ccc([C@H](C[NH2+]Cc2ccccc2[O-])N2CCCC2)o1 ZINC000237634769 525958397 /nfs/dbraw/zinc/95/83/97/525958397.db2.gz IZOSBNUDBUDJDB-INIZCTEOSA-N 0 3 300.402 3.220 20 10 DGCDHN NC(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCCC1 ZINC000265448524 526847655 /nfs/dbraw/zinc/84/76/55/526847655.db2.gz BZCJVIPLMAPNJL-UHFFFAOYSA-N 0 3 324.424 3.195 20 10 DGCDHN Cc1nc(N2CCN(Cc3cccc(C)c3O)CC2)sc1C ZINC000180482125 526968455 /nfs/dbraw/zinc/96/84/55/526968455.db2.gz GSFNEZFXDMNSTO-UHFFFAOYSA-N 0 3 317.458 3.096 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]CC(C)(C)c2ccccn2)c1 ZINC000294927881 535751730 /nfs/dbraw/zinc/75/17/30/535751730.db2.gz ZFOVOPQKODGSGT-UHFFFAOYSA-N 0 3 300.402 3.253 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000274820814 535808548 /nfs/dbraw/zinc/80/85/48/535808548.db2.gz BPDHMGWGJHJJIB-QZTJIDSGSA-N 0 3 324.424 3.234 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccccc1[O-] ZINC000285859571 535932328 /nfs/dbraw/zinc/93/23/28/535932328.db2.gz ZQMHENDQORFBRN-JJRVBVJISA-N 0 3 304.434 3.126 20 10 DGCDHN COc1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1F ZINC000297519369 536841446 /nfs/dbraw/zinc/84/14/46/536841446.db2.gz CZAMFRDRZDOSRW-OAHLLOKOSA-N 0 3 301.361 3.360 20 10 DGCDHN Cc1ccc(O)c(CNCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000733325250 574615834 /nfs/dbraw/zinc/61/58/34/574615834.db2.gz GVEBQDJFKVJOGI-UHFFFAOYSA-N 0 3 304.777 3.082 20 10 DGCDHN CO[C@H](CNCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000733329359 574616275 /nfs/dbraw/zinc/61/62/75/574616275.db2.gz RGNWIYKHBKCEKH-OAHLLOKOSA-N 0 3 316.367 3.344 20 10 DGCDHN C[C@]1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCCc2ccccc21 ZINC000734843789 574678729 /nfs/dbraw/zinc/67/87/29/574678729.db2.gz QDOUMYRJDLRHAA-IBGZPJMESA-N 0 3 311.381 3.462 20 10 DGCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCCOC(C)(C)C2)c1 ZINC000735298065 574695302 /nfs/dbraw/zinc/69/53/02/574695302.db2.gz OBZWCCJKOMYAMG-UHFFFAOYSA-N 0 3 307.434 3.396 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000736647045 574761989 /nfs/dbraw/zinc/76/19/89/574761989.db2.gz CHAVKCYVEJZIEO-GOSISDBHSA-N 0 3 319.408 3.429 20 10 DGCDHN CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])C[C@H]1CCOC1 ZINC000738080540 574858762 /nfs/dbraw/zinc/85/87/62/574858762.db2.gz GQNIAIKBDIHEIC-CYBMUJFWSA-N 0 3 307.434 3.254 20 10 DGCDHN CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])C[C@H]1CCOC1 ZINC000738080540 574858764 /nfs/dbraw/zinc/85/87/64/574858764.db2.gz GQNIAIKBDIHEIC-CYBMUJFWSA-N 0 3 307.434 3.254 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)cc1C(C)C ZINC000742163822 574983259 /nfs/dbraw/zinc/98/32/59/574983259.db2.gz WLEVWAFLNOYJRK-QGZVFWFLSA-N 0 3 300.446 3.270 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](N3CC=CC3)C2)cc1C(C)C ZINC000742163822 574983261 /nfs/dbraw/zinc/98/32/61/574983261.db2.gz WLEVWAFLNOYJRK-QGZVFWFLSA-N 0 3 300.446 3.270 20 10 DGCDHN COc1ccc(N2CCC(NCc3occc3C)CC2)cc1 ZINC000742369393 574992931 /nfs/dbraw/zinc/99/29/31/574992931.db2.gz DDGIFLXASAPCJJ-UHFFFAOYSA-N 0 3 300.402 3.355 20 10 DGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])C12CCCC2 ZINC000742390950 574995958 /nfs/dbraw/zinc/99/59/58/574995958.db2.gz WKLBOSWZXKEGGJ-HZPDHXFCSA-N 0 3 305.418 3.228 20 10 DGCDHN C[C@H]1CCN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000744450210 575343642 /nfs/dbraw/zinc/34/36/42/575343642.db2.gz WNCAQIIFVZGKFR-INIZCTEOSA-N 0 3 310.441 3.491 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000749129645 575629078 /nfs/dbraw/zinc/62/90/78/575629078.db2.gz RZAMYQNJXUJBMZ-LRDDRELGSA-N 0 3 308.853 3.398 20 10 DGCDHN CC(C)(C)c1cc(O)c([O-])c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000749799941 575679499 /nfs/dbraw/zinc/67/94/99/575679499.db2.gz PZUYCYIFTWIBMD-KBPBESRZSA-N 0 3 319.445 3.254 20 10 DGCDHN CC(C)(C)c1cc(O)c([O-])c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000749799941 575679501 /nfs/dbraw/zinc/67/95/01/575679501.db2.gz PZUYCYIFTWIBMD-KBPBESRZSA-N 0 3 319.445 3.254 20 10 DGCDHN COCCOCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725843957 575927192 /nfs/dbraw/zinc/92/71/92/575927192.db2.gz JCPRZCJEXWFRGJ-UHFFFAOYSA-N 0 3 315.413 3.202 20 10 DGCDHN Cc1nccn1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725849943 575931598 /nfs/dbraw/zinc/93/15/98/575931598.db2.gz AKMPFMYXBNTMFR-UHFFFAOYSA-N 0 3 307.397 3.354 20 10 DGCDHN CC(=O)Nc1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC000726067036 576003871 /nfs/dbraw/zinc/00/38/71/576003871.db2.gz IPZZFRXFKZPMKF-UHFFFAOYSA-N 0 3 311.429 3.343 20 10 DGCDHN CC[C@@H](COC)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738438959 576129524 /nfs/dbraw/zinc/12/95/24/576129524.db2.gz HANMYUXBFLVNEY-HNNXBMFYSA-N 0 3 321.421 3.100 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242057 620681549 /nfs/dbraw/zinc/68/15/49/620681549.db2.gz ZUPRWVGLYZETHW-TZMCWYRMSA-N 0 3 324.415 3.443 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853553345 620709731 /nfs/dbraw/zinc/70/97/31/620709731.db2.gz DNUDELYALYGMKL-KBXCAEBGSA-N 0 3 317.429 3.220 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853553345 620709733 /nfs/dbraw/zinc/70/97/33/620709733.db2.gz DNUDELYALYGMKL-KBXCAEBGSA-N 0 3 317.429 3.220 20 10 DGCDHN CCCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891254604 617761103 /nfs/dbraw/zinc/76/11/03/617761103.db2.gz ZMVFIFDIEGIEJL-KRWDZBQOSA-N 0 3 317.477 3.052 20 10 DGCDHN CN(C)c1ccc([C@@H](CNC(=O)CCC2(C)CC2)N(C)C)cc1 ZINC000891257847 617761153 /nfs/dbraw/zinc/76/11/53/617761153.db2.gz KPWAGDJHXVSPIY-QGZVFWFLSA-N 0 3 317.477 3.052 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)c([O-])c1 ZINC000840882040 618109044 /nfs/dbraw/zinc/10/90/44/618109044.db2.gz SEHREWHBQPPTDP-UKRRQHHQSA-N 0 3 303.377 3.266 20 10 DGCDHN C[C@H]([NH2+]CC12CC(C1)CN2)c1ccc(Cl)c(Cl)c1[O-] ZINC000854225961 620785762 /nfs/dbraw/zinc/78/57/62/620785762.db2.gz CBXKCCLZNGHAJM-JUXJKVCFSA-N 0 3 301.217 3.102 20 10 DGCDHN COCC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccc(C)o1 ZINC000894420695 618321905 /nfs/dbraw/zinc/32/19/05/618321905.db2.gz QJRGZNDIMOIFGO-OAHLLOKOSA-N 0 3 319.401 3.478 20 10 DGCDHN COc1ccc(CN2CCC[C@H]2c2cccnc2)c(O)c1OC ZINC000894449787 618334952 /nfs/dbraw/zinc/33/49/52/618334952.db2.gz QBOHGWJWAXBULV-HNNXBMFYSA-N 0 3 314.385 3.142 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccc2c(=O)cc[nH]c2c1 ZINC000895204970 618574569 /nfs/dbraw/zinc/57/45/69/618574569.db2.gz MUNAKXGKLBSTBO-UHFFFAOYSA-N 0 3 321.424 3.192 20 10 DGCDHN COc1cc(C)cc(CN2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000895364538 618603287 /nfs/dbraw/zinc/60/32/87/618603287.db2.gz PVPCXUBGCPYXJK-UHFFFAOYSA-N 0 3 315.417 3.017 20 10 DGCDHN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000894092798 618708524 /nfs/dbraw/zinc/70/85/24/618708524.db2.gz BYQSZQFJSDSPRI-SJCJKPOMSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000894092798 618708525 /nfs/dbraw/zinc/70/85/25/618708525.db2.gz BYQSZQFJSDSPRI-SJCJKPOMSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000894092798 618708527 /nfs/dbraw/zinc/70/85/27/618708527.db2.gz BYQSZQFJSDSPRI-SJCJKPOMSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(F)cc(F)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000894092798 618708528 /nfs/dbraw/zinc/70/85/28/618708528.db2.gz BYQSZQFJSDSPRI-SJCJKPOMSA-N 0 3 322.399 3.119 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895843813 618838507 /nfs/dbraw/zinc/83/85/07/618838507.db2.gz CRULTQHQPLETIY-BXUZGUMPSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895843813 618838509 /nfs/dbraw/zinc/83/85/09/618838509.db2.gz CRULTQHQPLETIY-BXUZGUMPSA-N 0 3 311.809 3.055 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CCC(O)(C3CCC3)CC2)cc1 ZINC000897035219 619004612 /nfs/dbraw/zinc/00/46/12/619004612.db2.gz DGJCSXIRZRLKCE-PLNGDYQASA-N 0 3 314.473 3.393 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@H]1c2ccccc2CC[C@H]1O ZINC000897339060 619064027 /nfs/dbraw/zinc/06/40/27/619064027.db2.gz CWDXCJGSNFQLOH-UXHICEINSA-N 0 3 310.441 3.199 20 10 DGCDHN CC[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000897423764 619110564 /nfs/dbraw/zinc/11/05/64/619110564.db2.gz PMLXVKUBCWGXEK-AWEZNQCLSA-N 0 3 320.433 3.490 20 10 DGCDHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000898074651 619213745 /nfs/dbraw/zinc/21/37/45/619213745.db2.gz UXMGKTVYMITXLO-ILXRZTDVSA-N 0 3 318.417 3.022 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000898100106 619216942 /nfs/dbraw/zinc/21/69/42/619216942.db2.gz IDLJDQZBEZFVTK-HDJSIYSDSA-N 0 3 320.433 3.094 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000898165638 619219229 /nfs/dbraw/zinc/21/92/29/619219229.db2.gz FQJGAXIFOGWQQV-GXTWGEPZSA-N 0 3 321.417 3.001 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccccc1[O-] ZINC000926923793 619249752 /nfs/dbraw/zinc/24/97/52/619249752.db2.gz YUQHUTXIHLUGKP-JSGCOSHPSA-N 0 3 316.367 3.460 20 10 DGCDHN C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000926962121 619252937 /nfs/dbraw/zinc/25/29/37/619252937.db2.gz KBTWZBKQNRCCMO-TVQRCGJNSA-N 0 3 308.319 3.065 20 10 DGCDHN Cc1cc(O)c(CN2CCOC[C@@H]2CC2CCOCC2)cc1C ZINC000902669533 619662800 /nfs/dbraw/zinc/66/28/00/619662800.db2.gz HCYLBQDGDYFZLS-SFHVURJKSA-N 0 3 319.445 3.027 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1ccccc1[O-] ZINC000903271144 619749868 /nfs/dbraw/zinc/74/98/68/619749868.db2.gz JLWAOUQDGUZEES-HRCADAONSA-N 0 3 306.475 3.013 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(F)c2)c([O-])c1 ZINC000903310767 619757283 /nfs/dbraw/zinc/75/72/83/619757283.db2.gz QQEPNFJKKGSGND-FZKQIMNGSA-N 0 3 303.377 3.398 20 10 DGCDHN C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000903312276 619757921 /nfs/dbraw/zinc/75/79/21/619757921.db2.gz YKLMHLYYWIXEKK-APPDUMDISA-N 0 3 307.340 3.229 20 10 DGCDHN C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(F)cc1[O-] ZINC000903380777 619768824 /nfs/dbraw/zinc/76/88/24/619768824.db2.gz PHVRYSKDKFLXLE-GUYCJALGSA-N 0 3 317.408 3.270 20 10 DGCDHN CC[C@@H]1COCCN1Cc1c(O)ccc2ccc(OC)cc21 ZINC000151898440 620480076 /nfs/dbraw/zinc/48/00/76/620480076.db2.gz MPGLBOHASHYNDF-CQSZACIVSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc(CNCc2ccc3c(c2)CCCO3)cc1F ZINC000921505112 620876348 /nfs/dbraw/zinc/87/63/48/620876348.db2.gz YUXJGDMEXRULNF-UHFFFAOYSA-N 0 3 301.361 3.449 20 10 DGCDHN Cc1ccsc1[C@@H](CO)NCc1ccc2c(c1)CCCO2 ZINC000921817215 620953876 /nfs/dbraw/zinc/95/38/76/620953876.db2.gz JSPJQVNPVHWZKS-OAHLLOKOSA-N 0 3 303.427 3.205 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2cc(C3CC3)nn2C)cc1 ZINC000922946597 621135517 /nfs/dbraw/zinc/13/55/17/621135517.db2.gz BENFMAAQEMVFSQ-SNAWJCMRSA-N 0 3 310.445 3.167 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2COc3ccccc32)cc1F ZINC000858165239 621160593 /nfs/dbraw/zinc/16/05/93/621160593.db2.gz PQCCBBACIYRTNV-CYBMUJFWSA-N 0 3 318.367 3.297 20 10 DGCDHN CO[C@@](C)([C@H](C)NCc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000858177295 621161655 /nfs/dbraw/zinc/16/16/55/621161655.db2.gz OBSQOWVHXHHDSW-GTNSWQLSSA-N 0 3 312.404 3.324 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2C(C)(C)C2(F)F)cc1F ZINC000858191955 621163904 /nfs/dbraw/zinc/16/39/04/621163904.db2.gz CQWRQIBEBOOHLV-CYBMUJFWSA-N 0 3 304.331 3.412 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccccc1[O-] ZINC000858540010 621203300 /nfs/dbraw/zinc/20/33/00/621203300.db2.gz SKEYSRQASARJSI-CQSZACIVSA-N 0 3 312.369 3.078 20 10 DGCDHN C[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccccc1[O-] ZINC000858594411 621208058 /nfs/dbraw/zinc/20/80/58/621208058.db2.gz DFLPMRIWDHRCAL-DOTOQJQBSA-N 0 3 315.413 3.011 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c([O-])c1 ZINC000839191826 621347048 /nfs/dbraw/zinc/34/70/48/621347048.db2.gz KCINWTXROVEREV-JKSUJKDBSA-N 0 3 307.434 3.473 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@H]3COCC[C@H]32)cc1F ZINC000862252412 621567880 /nfs/dbraw/zinc/56/78/80/621567880.db2.gz TWJVLSKDOZJSIH-BLLLJJGKSA-N 0 3 310.388 3.032 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@H]3COCC[C@@H]32)cc1F ZINC000862252414 621568339 /nfs/dbraw/zinc/56/83/39/621568339.db2.gz TWJVLSKDOZJSIH-LRDDRELGSA-N 0 3 310.388 3.032 20 10 DGCDHN Cc1cc(Cl)cc(CN[C@](C)(CO)c2cccc(O)c2)c1O ZINC000862432604 621589204 /nfs/dbraw/zinc/58/92/04/621589204.db2.gz KDYNHBNLXWSRML-QGZVFWFLSA-N 0 3 321.804 3.057 20 10 DGCDHN CCN(CC[NH2+][C@@H](C)c1ccccc1[O-])CCC(F)(F)F ZINC000756049876 621611977 /nfs/dbraw/zinc/61/19/77/621611977.db2.gz LBXRQEMYRHKNQB-LBPRGKRZSA-N 0 3 304.356 3.317 20 10 DGCDHN C[C@H]([NH2+]CCCN1CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756361254 621631007 /nfs/dbraw/zinc/63/10/07/621631007.db2.gz JQKHYCNQKJPNKE-ZDUSSCGKSA-N 0 3 312.404 3.443 20 10 DGCDHN COc1ncccc1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756394780 621635208 /nfs/dbraw/zinc/63/52/08/621635208.db2.gz YEUODJXHRMOPIF-GXFFZTMASA-N 0 3 302.349 3.273 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCN2CCC(C)CC2)c2c1c(F)ccc2[O-] ZINC000756412944 621636934 /nfs/dbraw/zinc/63/69/34/621636934.db2.gz WMNGUPHMIWKGCM-DZGCQCFKSA-N 0 3 306.425 3.401 20 10 DGCDHN COCCOc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000756429327 621638281 /nfs/dbraw/zinc/63/82/81/621638281.db2.gz GLIJBEJJULKYJK-CYBMUJFWSA-N 0 3 319.376 3.407 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCCc2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000756525463 621644875 /nfs/dbraw/zinc/64/48/75/621644875.db2.gz BTVFLBCGJDALPP-SMDDNHRTSA-N 0 3 303.381 3.036 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756588138 621651301 /nfs/dbraw/zinc/65/13/01/621651301.db2.gz FLJJDNGVAYIDMZ-SXUOVDMSSA-N 0 3 313.438 3.216 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c([O-])c1 ZINC000756661224 621657067 /nfs/dbraw/zinc/65/70/67/621657067.db2.gz ZHISBLNFKOWEHD-GOEBONIOSA-N 0 3 316.445 3.142 20 10 DGCDHN COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C2 ZINC000756774910 621663773 /nfs/dbraw/zinc/66/37/73/621663773.db2.gz MHQHJKDBRNNKEE-RISCZKNCSA-N 0 3 317.360 3.194 20 10 DGCDHN CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756792205 621664849 /nfs/dbraw/zinc/66/48/49/621664849.db2.gz ZWWGUFCLFNUFQF-NDGTYSDOSA-N 0 3 307.409 3.466 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)c2c1c(F)ccc2[O-] ZINC000756788878 621664909 /nfs/dbraw/zinc/66/49/09/621664909.db2.gz FVWAVODJYRPWPN-MLGOLLRUSA-N 0 3 315.388 3.404 20 10 DGCDHN CO[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(F)(F)F ZINC000756835477 621667026 /nfs/dbraw/zinc/66/70/26/621667026.db2.gz MTYWDSQPRBUXOH-OVYXKVPISA-N 0 3 307.287 3.247 20 10 DGCDHN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000863546574 621683117 /nfs/dbraw/zinc/68/31/17/621683117.db2.gz LFXAZHNRCFKAJL-ZWKOPEQDSA-N 0 3 302.340 3.202 20 10 DGCDHN [NH3+]C[C@H]1CN(Cc2c([O-])cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000863646294 621693300 /nfs/dbraw/zinc/69/33/00/621693300.db2.gz ISGYFGSFMYOJON-ONGXEEELSA-N 0 3 322.758 3.005 20 10 DGCDHN CCCN(Cc1c([O-])ccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000843045383 621695551 /nfs/dbraw/zinc/69/55/51/621695551.db2.gz WBLBJYLFZCIFGI-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000757653538 621731221 /nfs/dbraw/zinc/73/12/21/621731221.db2.gz JIHYGISANNIZBA-JSGCOSHPSA-N 0 3 307.365 3.423 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC=C(c3ccccc3)C1)[C@@H](O)CO2 ZINC000789545225 625521221 /nfs/dbraw/zinc/52/12/21/625521221.db2.gz FJOLYZYIHPTHOK-IBGZPJMESA-N 0 3 323.392 3.107 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC=C(c3ccccc3)C1)[C@@H](O)CO2 ZINC000789545225 625521228 /nfs/dbraw/zinc/52/12/28/625521228.db2.gz FJOLYZYIHPTHOK-IBGZPJMESA-N 0 3 323.392 3.107 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759852591 621897313 /nfs/dbraw/zinc/89/73/13/621897313.db2.gz OWZPEAPXGDKSHX-MRXNPFEDSA-N 0 3 309.768 3.350 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759852591 621897314 /nfs/dbraw/zinc/89/73/14/621897314.db2.gz OWZPEAPXGDKSHX-MRXNPFEDSA-N 0 3 309.768 3.350 20 10 DGCDHN CN1CCCc2cc(CNCc3ccnn3CC3CCC3)ccc21 ZINC000865438065 621920717 /nfs/dbraw/zinc/92/07/17/621920717.db2.gz YPTVVUVLZUEONJ-UHFFFAOYSA-N 0 3 324.472 3.355 20 10 DGCDHN Fc1cc(CN[C@H]2CCCC[C@H]2F)ccc1N1CCOCC1 ZINC000865698948 621980088 /nfs/dbraw/zinc/98/00/88/621980088.db2.gz JBSRHPICJQSBEA-ZBFHGGJFSA-N 0 3 310.388 3.033 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC[C@@H](n3ccnc3)C2)c1O ZINC000761193415 621993123 /nfs/dbraw/zinc/99/31/23/621993123.db2.gz AWKSVLHHQQAECF-CQSZACIVSA-N 0 3 321.808 3.088 20 10 DGCDHN C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1O ZINC000866160908 622056512 /nfs/dbraw/zinc/05/65/12/622056512.db2.gz HJFRGCJUJMKUFR-ZDUSSCGKSA-N 0 3 313.401 3.337 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1cc(F)ccc1[O-] ZINC000866563055 622138928 /nfs/dbraw/zinc/13/89/28/622138928.db2.gz JGJCBJSPIVCLTA-YVEFUNNKSA-N 0 3 300.377 3.369 20 10 DGCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000765794502 622287870 /nfs/dbraw/zinc/28/78/70/622287870.db2.gz CTLACDVCANISMH-MSOLQXFVSA-N 0 3 324.424 3.064 20 10 DGCDHN C[C@H](NCCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000766525696 622336701 /nfs/dbraw/zinc/33/67/01/622336701.db2.gz APFPCOLSUPQZRA-NSHDSACASA-N 0 3 320.330 3.265 20 10 DGCDHN CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)c1ccccc1 ZINC000789778216 625565870 /nfs/dbraw/zinc/56/58/70/625565870.db2.gz GNZDGCZSYGOTEJ-ZWKOTPCHSA-N 0 3 303.377 3.379 20 10 DGCDHN Cc1cccc(CN2CCN(Cc3cc(C)ccc3O)CC2)c1 ZINC000768194543 622445142 /nfs/dbraw/zinc/44/51/42/622445142.db2.gz AMGDHULIOJRRSF-UHFFFAOYSA-N 0 3 310.441 3.327 20 10 DGCDHN COc1cc(CN2CCC[C@@H]2c2cc(C)no2)c(O)cc1C ZINC000768438989 622455693 /nfs/dbraw/zinc/45/56/93/622455693.db2.gz DSDWYQWYNFKRFJ-CQSZACIVSA-N 0 3 302.374 3.343 20 10 DGCDHN CC[N@H+](Cc1ccccc1C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440456 622456015 /nfs/dbraw/zinc/45/60/15/622456015.db2.gz WHXVPGKPBDAFOK-GOSISDBHSA-N 0 3 313.397 3.149 20 10 DGCDHN CC[N@@H+](Cc1ccccc1C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440456 622456017 /nfs/dbraw/zinc/45/60/17/622456017.db2.gz WHXVPGKPBDAFOK-GOSISDBHSA-N 0 3 313.397 3.149 20 10 DGCDHN C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768443049 622456324 /nfs/dbraw/zinc/45/63/24/622456324.db2.gz YBQMOZWONSGMHX-WMLDXEAASA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768443049 622456326 /nfs/dbraw/zinc/45/63/26/622456326.db2.gz YBQMOZWONSGMHX-WMLDXEAASA-N 0 3 324.424 3.145 20 10 DGCDHN CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445156 622456924 /nfs/dbraw/zinc/45/69/24/622456924.db2.gz QEYVBTQFPLLXSW-CZUORRHYSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445156 622456926 /nfs/dbraw/zinc/45/69/26/622456926.db2.gz QEYVBTQFPLLXSW-CZUORRHYSA-N 0 3 305.418 3.219 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC3(CCCCC3)C1)[C@H](O)CO2 ZINC000768447962 622457071 /nfs/dbraw/zinc/45/70/71/622457071.db2.gz SBORZIPCLNJOFO-QGZVFWFLSA-N 0 3 317.429 3.364 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC3(CCCCC3)C1)[C@H](O)CO2 ZINC000768447962 622457075 /nfs/dbraw/zinc/45/70/75/622457075.db2.gz SBORZIPCLNJOFO-QGZVFWFLSA-N 0 3 317.429 3.364 20 10 DGCDHN COc1ccc(CCC[N@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC000768921483 622485158 /nfs/dbraw/zinc/48/51/58/622485158.db2.gz WYKHKQMPRHBJAU-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COc1ccc(CCC[N@@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC000768921483 622485160 /nfs/dbraw/zinc/48/51/60/622485160.db2.gz WYKHKQMPRHBJAU-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COc1ccccc1CC[N@H+](C)Cc1c([O-])cccc1OC ZINC000769335309 622518696 /nfs/dbraw/zinc/51/86/96/622518696.db2.gz WCRNWLLDHCSDIZ-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COc1ccccc1CC[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769335309 622518697 /nfs/dbraw/zinc/51/86/97/622518697.db2.gz WCRNWLLDHCSDIZ-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN CCN(Cc1cc(C)ccc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000769404234 622525360 /nfs/dbraw/zinc/52/53/60/622525360.db2.gz PUVMPZYIWNJMTQ-SFHVURJKSA-N 0 3 324.424 3.328 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000769504262 622535116 /nfs/dbraw/zinc/53/51/16/622535116.db2.gz RXGWXWIPPGRMPG-UHFFFAOYSA-N 0 3 305.418 3.039 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccsc2)c2c1c(F)ccc2[O-] ZINC000769990656 622586997 /nfs/dbraw/zinc/58/69/97/622586997.db2.gz VUEFMRMRDPGDHF-OASPWFOLSA-N 0 3 307.390 3.464 20 10 DGCDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000770504529 622640603 /nfs/dbraw/zinc/64/06/03/622640603.db2.gz IJPPRGIEEZUEDH-DZGCQCFKSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[O-] ZINC000770504529 622640606 /nfs/dbraw/zinc/64/06/06/622640606.db2.gz IJPPRGIEEZUEDH-DZGCQCFKSA-N 0 3 320.433 3.270 20 10 DGCDHN CCOc1ccc(O)c(CNCc2ccnc(SC)c2)c1 ZINC000771883753 622808947 /nfs/dbraw/zinc/80/89/47/622808947.db2.gz ZKMSMNAIDJTAJU-UHFFFAOYSA-N 0 3 304.415 3.198 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c([O-])c1 ZINC000872108808 622810654 /nfs/dbraw/zinc/81/06/54/622810654.db2.gz DTDPDGJTASNEPG-NSHDSACASA-N 0 3 313.323 3.267 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2=O)c2c1c(F)ccc2[O-] ZINC000872113214 622814820 /nfs/dbraw/zinc/81/48/20/622814820.db2.gz NNTFIDJNPVIRCA-NQBHXWOUSA-N 0 3 307.365 3.013 20 10 DGCDHN CN(C)c1ccc(CN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000771935585 622820264 /nfs/dbraw/zinc/82/02/64/622820264.db2.gz YSFJWXUUVPLEAM-HXUWFJFHSA-N 0 3 309.457 3.241 20 10 DGCDHN CC1(C)C[NH2+]CC[C@@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000872254331 622867728 /nfs/dbraw/zinc/86/77/28/622867728.db2.gz ZTANIPKQEHHHTN-SNVBAGLBSA-N 0 3 300.805 3.053 20 10 DGCDHN CC(=O)C1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000872798803 622981471 /nfs/dbraw/zinc/98/14/71/622981471.db2.gz RXEZSIVLECSRIM-UHFFFAOYSA-N 0 3 305.418 3.196 20 10 DGCDHN Oc1cc2c(cc1CN1CCO[C@@H](C(F)(F)F)CC1)CCC2 ZINC000872814675 622984071 /nfs/dbraw/zinc/98/40/71/622984071.db2.gz SYPXLAARROOHTM-OAHLLOKOSA-N 0 3 315.335 3.034 20 10 DGCDHN CCCCn1cc(C[NH2+]Cc2ccc(OCC)cc2[O-])c(C)n1 ZINC000773410783 623024126 /nfs/dbraw/zinc/02/41/26/623024126.db2.gz WECSPKQUZSWRHA-UHFFFAOYSA-N 0 3 317.433 3.386 20 10 DGCDHN CCCOc1ccc(CNCc2cccn(CC)c2=O)cc1C ZINC000873115922 623039865 /nfs/dbraw/zinc/03/98/65/623039865.db2.gz RHHGDVGIMOSPIF-UHFFFAOYSA-N 0 3 314.429 3.255 20 10 DGCDHN CCCOc1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1C ZINC000873131263 623044231 /nfs/dbraw/zinc/04/42/31/623044231.db2.gz QSIPGTGXSLEOBS-IRXDYDNUSA-N 0 3 316.445 3.027 20 10 DGCDHN CCN(C)c1ccc(CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000773773736 623071395 /nfs/dbraw/zinc/07/13/95/623071395.db2.gz AICOAJDUAHGZKL-FQEVSTJZSA-N 0 3 310.441 3.234 20 10 DGCDHN CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000873224209 623081464 /nfs/dbraw/zinc/08/14/64/623081464.db2.gz XPNYHIIOEZVVGW-INIZCTEOSA-N 0 3 314.832 3.382 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c([O-])c1 ZINC000775371636 623260975 /nfs/dbraw/zinc/26/09/75/623260975.db2.gz OPBCTTPEDSRACZ-FUHWJXTLSA-N 0 3 307.434 3.474 20 10 DGCDHN COCCC1(C[NH2+]Cc2c([O-])cccc2OC)CCCCC1 ZINC000775374156 623261333 /nfs/dbraw/zinc/26/13/33/623261333.db2.gz HWXFGYRFFSVJFY-UHFFFAOYSA-N 0 3 307.434 3.477 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000775488061 623280116 /nfs/dbraw/zinc/28/01/16/623280116.db2.gz GJYJDLJYWWVAMK-YJBOKZPZSA-N 0 3 317.404 3.423 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000775488060 623280122 /nfs/dbraw/zinc/28/01/22/623280122.db2.gz GJYJDLJYWWVAMK-QAPCUYQASA-N 0 3 317.404 3.423 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000775522678 623283888 /nfs/dbraw/zinc/28/38/88/623283888.db2.gz XNLIHDSFQGZFPA-IAGOWNOFSA-N 0 3 316.445 3.367 20 10 DGCDHN Cc1cccc(CN2CCN(CCc3ccccc3)CC2)c1O ZINC000775644625 623302850 /nfs/dbraw/zinc/30/28/50/623302850.db2.gz LIXDHLNFLCSTTB-UHFFFAOYSA-N 0 3 310.441 3.061 20 10 DGCDHN Cc1cccc(CN2CCC[C@@H](OCC(F)(F)F)C2)c1O ZINC000775654202 623305428 /nfs/dbraw/zinc/30/54/28/623305428.db2.gz IGPJVJPXORXTFR-CYBMUJFWSA-N 0 3 303.324 3.244 20 10 DGCDHN C[C@H](NCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775829942 623338648 /nfs/dbraw/zinc/33/86/48/623338648.db2.gz BEMNUBYAXSGBMQ-JYJNAYRXSA-N 0 3 317.477 3.193 20 10 DGCDHN Cc1nnc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])s1 ZINC000810242354 623463445 /nfs/dbraw/zinc/46/34/45/623463445.db2.gz ADGLKBGLRAQDBU-SECBINFHSA-N 0 3 311.838 3.407 20 10 DGCDHN CN(Cc1ccsc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876548840 623640329 /nfs/dbraw/zinc/64/03/29/623640329.db2.gz VENSZMALNZTZOY-UHFFFAOYSA-N 0 3 316.470 3.341 20 10 DGCDHN C[C@@H](c1ccco1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876571629 623647605 /nfs/dbraw/zinc/64/76/05/623647605.db2.gz BFVRBMWSWIXECS-HNNXBMFYSA-N 0 3 314.429 3.434 20 10 DGCDHN CC(=O)Nc1cccc2c1CCN(Cc1ccc(C)cc1O)C2 ZINC000876629493 623665024 /nfs/dbraw/zinc/66/50/24/623665024.db2.gz HNIFILXJXXOEGB-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN Cc1cccc(O)c1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000876635214 623665561 /nfs/dbraw/zinc/66/55/61/623665561.db2.gz PUXIQTDBARLYBE-MRXNPFEDSA-N 0 3 301.386 3.475 20 10 DGCDHN Cc1ccc(CN(Cc2ccco2)C[C@@H]2CCCO2)c(O)c1 ZINC000876635597 623665588 /nfs/dbraw/zinc/66/55/88/623665588.db2.gz ZFTXPPGEPYGWKM-KRWDZBQOSA-N 0 3 301.386 3.475 20 10 DGCDHN CCC[N@H+](Cc1cnc2c(cnn2C)c1)Cc1ccccc1[O-] ZINC000876654878 623671429 /nfs/dbraw/zinc/67/14/29/623671429.db2.gz SJUPWLCGCYKWJS-UHFFFAOYSA-N 0 3 310.401 3.086 20 10 DGCDHN CCC[N@@H+](Cc1cnc2c(cnn2C)c1)Cc1ccccc1[O-] ZINC000876654878 623671430 /nfs/dbraw/zinc/67/14/30/623671430.db2.gz SJUPWLCGCYKWJS-UHFFFAOYSA-N 0 3 310.401 3.086 20 10 DGCDHN CCOC(=O)CCC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876781904 623704528 /nfs/dbraw/zinc/70/45/28/623704528.db2.gz RFNADJNCDRNLJW-UHFFFAOYSA-N 0 3 305.418 3.256 20 10 DGCDHN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ccccc1O ZINC000779034582 623723909 /nfs/dbraw/zinc/72/39/09/623723909.db2.gz YOGUSDQNJYHDSE-SJORKVTESA-N 0 3 317.429 3.336 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)c1[O-] ZINC000779041646 623723950 /nfs/dbraw/zinc/72/39/50/623723950.db2.gz WRWPPQMPAGQTME-UWVGGRQHSA-N 0 3 316.239 3.273 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000876884657 623736169 /nfs/dbraw/zinc/73/61/69/623736169.db2.gz RAZZMBITJYOVMJ-QGZVFWFLSA-N 0 3 302.393 3.232 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000877031915 623770099 /nfs/dbraw/zinc/77/00/99/623770099.db2.gz CUJHCJSJLDPXNF-UHFFFAOYSA-N 0 3 302.443 3.368 20 10 DGCDHN COc1ccccc1N1CC[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877083931 623787675 /nfs/dbraw/zinc/78/76/75/623787675.db2.gz IDDRNEXVCPIAEU-HNNXBMFYSA-N 0 3 312.413 3.078 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c([O-])c1 ZINC000877093719 623790592 /nfs/dbraw/zinc/79/05/92/623790592.db2.gz CMVUHBFFIXMROG-CQSZACIVSA-N 0 3 317.820 3.118 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000877128383 623798482 /nfs/dbraw/zinc/79/84/82/623798482.db2.gz GOHRIUMDNUDBGV-UGSOOPFHSA-N 0 3 303.377 3.442 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000877476513 623901332 /nfs/dbraw/zinc/90/13/32/623901332.db2.gz GJNGSYMHHCWZQS-PKOBYXMFSA-N 0 3 315.388 3.096 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C ZINC000877506387 623916204 /nfs/dbraw/zinc/91/62/04/623916204.db2.gz VYPATDMOILAAFT-ZDUSSCGKSA-N 0 3 308.422 3.094 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000877575827 623949408 /nfs/dbraw/zinc/94/94/08/623949408.db2.gz FRBHFUNQHPXROV-UHFFFAOYSA-N 0 3 316.367 3.159 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000877575827 623949412 /nfs/dbraw/zinc/94/94/12/623949412.db2.gz FRBHFUNQHPXROV-UHFFFAOYSA-N 0 3 316.367 3.159 20 10 DGCDHN COc1cc(Cl)cc(C[NH+]2CCC(SC)CC2)c1[O-] ZINC000877663076 623983220 /nfs/dbraw/zinc/98/32/20/623983220.db2.gz FNSUSKBGDIMQCA-UHFFFAOYSA-N 0 3 301.839 3.382 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC(SC)CC2)c1O ZINC000877663076 623983222 /nfs/dbraw/zinc/98/32/22/623983222.db2.gz FNSUSKBGDIMQCA-UHFFFAOYSA-N 0 3 301.839 3.382 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)c1[O-] ZINC000877702621 623997168 /nfs/dbraw/zinc/99/71/68/623997168.db2.gz VNLAESFMCGMWIY-AWEZNQCLSA-N 0 3 313.825 3.492 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1[O-] ZINC000877739721 624012493 /nfs/dbraw/zinc/01/24/93/624012493.db2.gz SXVIATAQTJEOOY-CMPLNLGQSA-N 0 3 313.850 3.239 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1[O-] ZINC000877739721 624012497 /nfs/dbraw/zinc/01/24/97/624012497.db2.gz SXVIATAQTJEOOY-CMPLNLGQSA-N 0 3 313.850 3.239 20 10 DGCDHN COc1ccccc1[C@H](C)NCc1cc(OC)c(OC)cc1O ZINC000877758518 624023751 /nfs/dbraw/zinc/02/37/51/624023751.db2.gz GQKYLFPFURRLLF-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN c1cc2c(s1)CN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000127060859 624252789 /nfs/dbraw/zinc/25/27/89/624252789.db2.gz SMPLAZHIWLZQMX-UHFFFAOYSA-N 0 3 314.454 3.143 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000878354271 624254076 /nfs/dbraw/zinc/25/40/76/624254076.db2.gz HSCJXBNLWQEAPG-HUUCEWRRSA-N 0 3 305.418 3.019 20 10 DGCDHN CCOCOc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000782955590 624294884 /nfs/dbraw/zinc/29/48/84/624294884.db2.gz IPYYOQKYBOPXIA-UHFFFAOYSA-N 0 3 313.397 3.284 20 10 DGCDHN C[C@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000783325861 624338327 /nfs/dbraw/zinc/33/83/27/624338327.db2.gz QDPRQKHYKWTPDS-NOLJZWGESA-N 0 3 315.388 3.273 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1[O-] ZINC000805747640 624366800 /nfs/dbraw/zinc/36/68/00/624366800.db2.gz DPHJJQONTOSEJB-IUODEOHRSA-N 0 3 305.805 3.300 20 10 DGCDHN COc1ccc2c(c1)CC[N@@H+](Cc1c([O-])cccc1OC)CC2 ZINC000784680214 624571077 /nfs/dbraw/zinc/57/10/77/624571077.db2.gz QAOORDQUXHRIRV-UHFFFAOYSA-N 0 3 313.397 3.010 20 10 DGCDHN COc1ccc2c(c1)CC[N@H+](Cc1c([O-])cccc1OC)CC2 ZINC000784680214 624571081 /nfs/dbraw/zinc/57/10/81/624571081.db2.gz QAOORDQUXHRIRV-UHFFFAOYSA-N 0 3 313.397 3.010 20 10 DGCDHN COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648601 624621064 /nfs/dbraw/zinc/62/10/64/624621064.db2.gz VRJUHOXNCRRVID-OLZOCXBDSA-N 0 3 314.385 3.079 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000879648720 624621286 /nfs/dbraw/zinc/62/12/86/624621286.db2.gz ASEAHWLHCRWWMA-RRFJBIMHSA-N 0 3 324.424 3.409 20 10 DGCDHN CC(C)N(C(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879647441 624621529 /nfs/dbraw/zinc/62/15/29/624621529.db2.gz CJAXQROUOKCSKR-OAHLLOKOSA-N 0 3 312.413 3.484 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000879650080 624622504 /nfs/dbraw/zinc/62/25/04/624622504.db2.gz ZXCQMSJMXKTYFX-LXTVHRRPSA-N 0 3 304.434 3.221 20 10 DGCDHN Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651704 624624139 /nfs/dbraw/zinc/62/41/39/624624139.db2.gz IAAKAYJHRGNITA-HOTGVXAUSA-N 0 3 315.413 3.100 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879651347 624624235 /nfs/dbraw/zinc/62/42/35/624624235.db2.gz RRZVNLWXYBDNPS-YCPHGPKFSA-N 0 3 304.434 3.080 20 10 DGCDHN CCc1oc(C(=O)OC)cc1CN[C@@H](C)c1ccccc1O ZINC000879650983 624624244 /nfs/dbraw/zinc/62/42/44/624624244.db2.gz BRKDCHWABNZWGH-NSHDSACASA-N 0 3 303.358 3.185 20 10 DGCDHN CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650983 624624246 /nfs/dbraw/zinc/62/42/46/624624246.db2.gz BRKDCHWABNZWGH-NSHDSACASA-N 0 3 303.358 3.185 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1[O-] ZINC000879653957 624626663 /nfs/dbraw/zinc/62/66/63/624626663.db2.gz ZAFJIQYJEYZTQL-UXLLHSPISA-N 0 3 316.445 3.224 20 10 DGCDHN CCOC(CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)OCC ZINC000786971690 624968761 /nfs/dbraw/zinc/96/87/61/624968761.db2.gz XRUYYUXVAWTDDA-DGCLKSJQSA-N 0 3 311.397 3.458 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000798089182 626193505 /nfs/dbraw/zinc/19/35/05/626193505.db2.gz LIYSCECLRMOJDO-RISCZKNCSA-N 0 3 311.809 3.175 20 10 DGCDHN O=c1ccccn1C[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000800313234 626350814 /nfs/dbraw/zinc/35/08/14/626350814.db2.gz IYNJFINSBGZLPB-SFHVURJKSA-N 0 3 320.392 3.085 20 10 DGCDHN O=c1ccccn1C[C@H](NCc1ccccc1O)c1ccccc1 ZINC000800313234 626350817 /nfs/dbraw/zinc/35/08/17/626350817.db2.gz IYNJFINSBGZLPB-SFHVURJKSA-N 0 3 320.392 3.085 20 10 DGCDHN CC(C)COCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000800356772 626353717 /nfs/dbraw/zinc/35/37/17/626353717.db2.gz WQIUCQKYLNCCKO-KRWDZBQOSA-N 0 3 307.434 3.046 20 10 DGCDHN CC(C)COCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000800356772 626353720 /nfs/dbraw/zinc/35/37/20/626353720.db2.gz WQIUCQKYLNCCKO-KRWDZBQOSA-N 0 3 307.434 3.046 20 10 DGCDHN CCCCN(CC(=O)NC1CCCCC1)Cc1ccccc1O ZINC000801595633 626411380 /nfs/dbraw/zinc/41/13/80/626411380.db2.gz GRKTUCCUOHAQIR-UHFFFAOYSA-N 0 3 318.461 3.443 20 10 DGCDHN CCCC[N@H+](CCCc1cnn(C)c1)Cc1ccccc1[O-] ZINC000801594908 626411452 /nfs/dbraw/zinc/41/14/52/626411452.db2.gz CZGJYRIWZHXVKX-UHFFFAOYSA-N 0 3 301.434 3.361 20 10 DGCDHN CCCC[N@@H+](CCCc1cnn(C)c1)Cc1ccccc1[O-] ZINC000801594908 626411453 /nfs/dbraw/zinc/41/14/53/626411453.db2.gz CZGJYRIWZHXVKX-UHFFFAOYSA-N 0 3 301.434 3.361 20 10 DGCDHN Cc1ccc(C[NH2+]Cc2ccccc2[O-])c(-c2ccnn2C)c1 ZINC000801719484 626415790 /nfs/dbraw/zinc/41/57/90/626415790.db2.gz AYCIEOIVXNLKIR-UHFFFAOYSA-N 0 3 307.397 3.391 20 10 DGCDHN CCOc1ccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000801732787 626416509 /nfs/dbraw/zinc/41/65/09/626416509.db2.gz WYDJULALHVTQLO-KBPBESRZSA-N 0 3 307.434 3.474 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000802654631 626565327 /nfs/dbraw/zinc/56/53/27/626565327.db2.gz LINYREBCODODSX-GOSISDBHSA-N 0 3 320.433 3.129 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000802654631 626565329 /nfs/dbraw/zinc/56/53/29/626565329.db2.gz LINYREBCODODSX-GOSISDBHSA-N 0 3 320.433 3.129 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000806167703 626703651 /nfs/dbraw/zinc/70/36/51/626703651.db2.gz GFLUYATTWWXVJS-BJJXKVORSA-N 0 3 315.388 3.273 20 10 DGCDHN COC[C@@]1(C)CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000840105953 626763740 /nfs/dbraw/zinc/76/37/40/626763740.db2.gz HAKLUFXLEMRKKR-IBGZPJMESA-N 0 3 315.413 3.412 20 10 DGCDHN COC[C@@]1(C)CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000840105953 626763744 /nfs/dbraw/zinc/76/37/44/626763744.db2.gz HAKLUFXLEMRKKR-IBGZPJMESA-N 0 3 315.413 3.412 20 10 DGCDHN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808702204 626851197 /nfs/dbraw/zinc/85/11/97/626851197.db2.gz CPPIMRDUHSCWAZ-YPMHNXCESA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)c1[O-] ZINC000808706795 626851507 /nfs/dbraw/zinc/85/15/07/626851507.db2.gz VCDXELMWIKGAAT-ADWYPQAOSA-N 0 3 303.855 3.162 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1[O-] ZINC000808705356 626851652 /nfs/dbraw/zinc/85/16/52/626851652.db2.gz FIXBVLFDVZZJLW-NSHDSACASA-N 0 3 312.841 3.309 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1[O-] ZINC000808708569 626852635 /nfs/dbraw/zinc/85/26/35/626852635.db2.gz NHHFOJZAXVZSFM-PRHODGIISA-N 0 3 311.731 3.318 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1[O-] ZINC000808717177 626852944 /nfs/dbraw/zinc/85/29/44/626852944.db2.gz ATYFXBJVALOUQN-OCCSQVGLSA-N 0 3 320.820 3.176 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1[O-] ZINC000808717176 626853265 /nfs/dbraw/zinc/85/32/65/626853265.db2.gz ATYFXBJVALOUQN-JSGCOSHPSA-N 0 3 320.820 3.176 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c([O-])c1 ZINC000808729426 626855079 /nfs/dbraw/zinc/85/50/79/626855079.db2.gz JOCFFKFSUHESMU-WFASDCNBSA-N 0 3 301.361 3.494 20 10 DGCDHN COc1ccc(Br)c(CNCc2ccccc2O)c1 ZINC000134230085 626865732 /nfs/dbraw/zinc/86/57/32/626865732.db2.gz NXDAWVPHRBIZGH-UHFFFAOYSA-N 0 3 322.202 3.453 20 10 DGCDHN Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1C ZINC000840148742 626867988 /nfs/dbraw/zinc/86/79/88/626867988.db2.gz VKOPPWDKJRQYBV-GOSISDBHSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1C ZINC000840148742 626867992 /nfs/dbraw/zinc/86/79/92/626867992.db2.gz VKOPPWDKJRQYBV-GOSISDBHSA-N 0 3 313.397 3.067 20 10 DGCDHN CCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000809716542 626940474 /nfs/dbraw/zinc/94/04/74/626940474.db2.gz WMGPRTCHLSXOBA-AWEZNQCLSA-N 0 3 312.841 3.018 20 10 DGCDHN CC(C)NC(=O)OC[C@@H]1CCCCN1Cc1cc(F)ccc1O ZINC000809720427 626941016 /nfs/dbraw/zinc/94/10/16/626941016.db2.gz GGWLIAPEULRGQV-HNNXBMFYSA-N 0 3 324.396 3.020 20 10 DGCDHN CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000809720427 626941018 /nfs/dbraw/zinc/94/10/18/626941018.db2.gz GGWLIAPEULRGQV-HNNXBMFYSA-N 0 3 324.396 3.020 20 10 DGCDHN CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000809720427 626941019 /nfs/dbraw/zinc/94/10/19/626941019.db2.gz GGWLIAPEULRGQV-HNNXBMFYSA-N 0 3 324.396 3.020 20 10 DGCDHN C[NH+](C)CCN(Cc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000809740785 626944642 /nfs/dbraw/zinc/94/46/42/626944642.db2.gz IHFFDNJTVSHXFG-UHFFFAOYSA-N 0 3 319.836 3.004 20 10 DGCDHN CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000809778730 626951139 /nfs/dbraw/zinc/95/11/39/626951139.db2.gz VIHJKLXAOVOYQS-CQSZACIVSA-N 0 3 324.852 3.092 20 10 DGCDHN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000809778730 626951143 /nfs/dbraw/zinc/95/11/43/626951143.db2.gz VIHJKLXAOVOYQS-CQSZACIVSA-N 0 3 324.852 3.092 20 10 DGCDHN COC(=O)c1cnc(SC[C@@H]2CCCCN2C(C)C)s1 ZINC000840209764 627046467 /nfs/dbraw/zinc/04/64/67/627046467.db2.gz BIGOZQICMYYBPS-NSHDSACASA-N 0 3 314.476 3.285 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)c1ccc(C)cc1[O-] ZINC000886766892 627202102 /nfs/dbraw/zinc/20/21/02/627202102.db2.gz UEIAXASVZSZDGY-YEWFCNIMSA-N 0 3 319.445 3.468 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1cc(F)ccc1[O-] ZINC000886771438 627202939 /nfs/dbraw/zinc/20/29/39/627202939.db2.gz HWRHXCCJGPXAGR-BPTYRPCHSA-N 0 3 323.408 3.155 20 10 DGCDHN CC[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000811509935 627284436 /nfs/dbraw/zinc/28/44/36/627284436.db2.gz MQDYSFMITJQNOG-IBGZPJMESA-N 0 3 315.388 3.499 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC000811510346 627285265 /nfs/dbraw/zinc/28/52/65/627285265.db2.gz CWLZGXJRXRSPDZ-IAGOWNOFSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC000811510346 627285270 /nfs/dbraw/zinc/28/52/70/627285270.db2.gz CWLZGXJRXRSPDZ-IAGOWNOFSA-N 0 3 305.418 3.180 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)c([O-])c1 ZINC000815571529 627686418 /nfs/dbraw/zinc/68/64/18/627686418.db2.gz GGYGGMULZPYWHX-ZDUSSCGKSA-N 0 3 312.404 3.389 20 10 DGCDHN [O-]c1c(C[NH2+]Cc2cn3ccccc3n2)ccc2ccccc21 ZINC000816529724 627803530 /nfs/dbraw/zinc/80/35/30/627803530.db2.gz FKTNPEWLITWJSQ-UHFFFAOYSA-N 0 3 303.365 3.483 20 10 DGCDHN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CN1CCCCC1 ZINC000816536799 627804543 /nfs/dbraw/zinc/80/45/43/627804543.db2.gz KIQLLZAMDCYZNO-GFCCVEGCSA-N 0 3 314.832 3.396 20 10 DGCDHN CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816554813 627806623 /nfs/dbraw/zinc/80/66/23/627806623.db2.gz JRVSQAMWKUHYON-RYUDHWBXSA-N 0 3 300.805 3.147 20 10 DGCDHN CC[C@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1ccccc1[O-] ZINC000925853367 627806659 /nfs/dbraw/zinc/80/66/59/627806659.db2.gz INULGCWVLYLHKD-JSGCOSHPSA-N 0 3 302.340 3.117 20 10 DGCDHN CN(Cc1cc(Cl)c(F)cc1[O-])CC1([NH+](C)C)CCC1 ZINC000816586542 627811859 /nfs/dbraw/zinc/81/18/59/627811859.db2.gz KTCKJHLTEXXYPL-UHFFFAOYSA-N 0 3 300.805 3.101 20 10 DGCDHN CN(C)C1(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000816586542 627811861 /nfs/dbraw/zinc/81/18/61/627811861.db2.gz KTCKJHLTEXXYPL-UHFFFAOYSA-N 0 3 300.805 3.101 20 10 DGCDHN CN(C)C1(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000816586542 627811864 /nfs/dbraw/zinc/81/18/64/627811864.db2.gz KTCKJHLTEXXYPL-UHFFFAOYSA-N 0 3 300.805 3.101 20 10 DGCDHN CC[C@@H]([NH2+]C1CCNCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817937305 627966685 /nfs/dbraw/zinc/96/66/85/627966685.db2.gz WGHCPYABENYWAY-GFCCVEGCSA-N 0 3 303.233 3.492 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000817942305 627969404 /nfs/dbraw/zinc/96/94/04/627969404.db2.gz NZNYXLPMOJJQBB-ZWKOTPCHSA-N 0 3 313.445 3.199 20 10 DGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@H](CO)C1 ZINC000927148992 628027115 /nfs/dbraw/zinc/02/71/15/628027115.db2.gz WLHZELPKWCVODX-ZHALLVOQSA-N 0 3 311.425 3.427 20 10 DGCDHN CC[C@@H](NCc1ccc(N(CC)CC)c(F)c1)[C@@H](O)C(F)F ZINC000824635028 628679183 /nfs/dbraw/zinc/67/91/83/628679183.db2.gz DWYNPTPOGVZDRT-UKRRQHHQSA-N 0 3 318.383 3.166 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824696312 628684881 /nfs/dbraw/zinc/68/48/81/628684881.db2.gz KXJURFRMTFENJT-GVDBMIGSSA-N 0 3 319.445 3.306 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824696312 628684883 /nfs/dbraw/zinc/68/48/83/628684883.db2.gz KXJURFRMTFENJT-GVDBMIGSSA-N 0 3 319.445 3.306 20 10 DGCDHN CC[C@@](C)(C[NH2+]Cc1cc(Br)cc(C)c1[O-])OC ZINC000824743541 628688882 /nfs/dbraw/zinc/68/88/82/628688882.db2.gz FVFZKAZFTIUNNK-AWEZNQCLSA-N 0 3 316.239 3.368 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC000824766351 628691786 /nfs/dbraw/zinc/69/17/86/628691786.db2.gz UHARIFWADVOMIY-ZDUSSCGKSA-N 0 3 304.217 3.464 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@](C)(OC)c2ccccc2)c([O-])c1 ZINC000824780459 628692797 /nfs/dbraw/zinc/69/27/97/628692797.db2.gz PUODJRWSEVQDFF-LJQANCHMSA-N 0 3 315.413 3.442 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@H](C)O ZINC000824922235 628707129 /nfs/dbraw/zinc/70/71/29/628707129.db2.gz YJCAYKQJYYWYDK-KSSFIOAISA-N 0 3 315.413 3.220 20 10 DGCDHN CCc1ncc(CNC2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000825079449 628725821 /nfs/dbraw/zinc/72/58/21/628725821.db2.gz ULZWMRUENNVHDM-UHFFFAOYSA-N 0 3 315.417 3.004 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1[O-] ZINC000825104255 628728360 /nfs/dbraw/zinc/72/83/60/628728360.db2.gz SCXGJLZVQBKGLU-CVEARBPZSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1[O-] ZINC000825104255 628728362 /nfs/dbraw/zinc/72/83/62/628728362.db2.gz SCXGJLZVQBKGLU-CVEARBPZSA-N 0 3 305.418 3.180 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124153 628730383 /nfs/dbraw/zinc/73/03/83/628730383.db2.gz IVXCEYURVVDXKL-ZANVPECISA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124153 628730386 /nfs/dbraw/zinc/73/03/86/628730386.db2.gz IVXCEYURVVDXKL-ZANVPECISA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc(Cl)cc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124153 628730388 /nfs/dbraw/zinc/73/03/88/628730388.db2.gz IVXCEYURVVDXKL-ZANVPECISA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124151 628730536 /nfs/dbraw/zinc/73/05/36/628730536.db2.gz IVXCEYURVVDXKL-RNCFNFMXSA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124151 628730538 /nfs/dbraw/zinc/73/05/38/628730538.db2.gz IVXCEYURVVDXKL-RNCFNFMXSA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc(Cl)cc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124151 628730539 /nfs/dbraw/zinc/73/05/39/628730539.db2.gz IVXCEYURVVDXKL-RNCFNFMXSA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+](CCO)C2CCSCC2)c1[O-] ZINC000825133736 628731215 /nfs/dbraw/zinc/73/12/15/628731215.db2.gz MHVVAYSKSOCUDP-UHFFFAOYSA-N 0 3 315.866 3.044 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+](CCO)C2CCSCC2)c1[O-] ZINC000825133736 628731216 /nfs/dbraw/zinc/73/12/16/628731216.db2.gz MHVVAYSKSOCUDP-UHFFFAOYSA-N 0 3 315.866 3.044 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1[O-] ZINC000826869033 628897356 /nfs/dbraw/zinc/89/73/56/628897356.db2.gz ZLBDPEYVBQXNLU-ZDUSSCGKSA-N 0 3 312.841 3.017 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1[O-] ZINC000826911317 628903090 /nfs/dbraw/zinc/90/30/90/628903090.db2.gz VZINFLUQIXLRMH-LAPQFRIASA-N 0 3 315.866 3.133 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000827197258 628935388 /nfs/dbraw/zinc/93/53/88/628935388.db2.gz YFKDAQZHBXMEPO-FUHWJXTLSA-N 0 3 315.388 3.129 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000827197258 628935390 /nfs/dbraw/zinc/93/53/90/628935390.db2.gz YFKDAQZHBXMEPO-FUHWJXTLSA-N 0 3 315.388 3.129 20 10 DGCDHN COC(=O)c1ccc(CNCc2cc(C)c(C)cc2O)c(F)c1 ZINC000827526186 628967784 /nfs/dbraw/zinc/96/77/84/628967784.db2.gz JBRCWOFKDXVZOJ-UHFFFAOYSA-N 0 3 317.360 3.225 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000827544515 628969362 /nfs/dbraw/zinc/96/93/62/628969362.db2.gz CZURLGSGTUYROR-INIZCTEOSA-N 0 3 312.413 3.112 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000827544515 628969364 /nfs/dbraw/zinc/96/93/64/628969364.db2.gz CZURLGSGTUYROR-INIZCTEOSA-N 0 3 312.413 3.112 20 10 DGCDHN CC(C)CC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000828062552 629019877 /nfs/dbraw/zinc/01/98/77/629019877.db2.gz KGAMPULNKYQARX-GOSISDBHSA-N 0 3 319.445 3.379 20 10 DGCDHN CC(C)CC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000828062552 629019880 /nfs/dbraw/zinc/01/98/80/629019880.db2.gz KGAMPULNKYQARX-GOSISDBHSA-N 0 3 319.445 3.379 20 10 DGCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCc2ccccc2C1 ZINC000834538700 629723711 /nfs/dbraw/zinc/72/37/11/629723711.db2.gz WBKXQNZRNULWBF-HNAYVOBHSA-N 0 3 322.452 3.416 20 10 DGCDHN Cn1c2ccc(F)cc2nc1CN[C@@H]1CCc2cccc(O)c21 ZINC000834654543 629748466 /nfs/dbraw/zinc/74/84/66/629748466.db2.gz OZIQRULYOBEMNS-CYBMUJFWSA-N 0 3 311.360 3.195 20 10 DGCDHN Cc1noc(C2CCC([NH2+][C@H]3CCc4cccc([O-])c43)CC2)n1 ZINC000834676563 629755222 /nfs/dbraw/zinc/75/52/22/629755222.db2.gz WGPBKGNAGMGPLP-NRXISQOPSA-N 0 3 313.401 3.387 20 10 DGCDHN Cc1cnc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cn1 ZINC000834908692 629806127 /nfs/dbraw/zinc/80/61/27/629806127.db2.gz LGYCYWDQSMMROV-QMTHXVAHSA-N 0 3 301.365 3.010 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1[O-] ZINC000834914558 629807506 /nfs/dbraw/zinc/80/75/06/629807506.db2.gz NVVZAMHDIXHAIK-OASPWFOLSA-N 0 3 314.223 3.027 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000835029828 629829682 /nfs/dbraw/zinc/82/96/82/629829682.db2.gz SXJHTZKMTOTFSC-LYSGITKLSA-N 0 3 322.452 3.358 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@H]2CCCc3c2cnn3C)cc1 ZINC000835036386 629830586 /nfs/dbraw/zinc/83/05/86/629830586.db2.gz PBGNKMOZLPTHEP-QWNKOJSDSA-N 0 3 310.445 3.167 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000835038625 629831468 /nfs/dbraw/zinc/83/14/68/629831468.db2.gz BZTQTIZFAVOTBC-VZSQWMKGSA-N 0 3 314.404 3.228 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000835044389 629833835 /nfs/dbraw/zinc/83/38/35/629833835.db2.gz ZKEATWMGWUGNCX-BGEOSOQGSA-N 0 3 308.425 3.014 20 10 DGCDHN COC(=O)c1cccc2c1CCN(Cc1cccc(C)c1O)C2 ZINC000835068892 629842810 /nfs/dbraw/zinc/84/28/10/629842810.db2.gz JYYHGTGPATYVND-UHFFFAOYSA-N 0 3 311.381 3.046 20 10 DGCDHN C[C@@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1ccccc1[O-] ZINC000840862784 630369088 /nfs/dbraw/zinc/36/90/88/630369088.db2.gz IEXGTHVADSGDEB-UKRRQHHQSA-N 0 3 314.385 3.163 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cc(F)ncc1F ZINC000840975082 630389609 /nfs/dbraw/zinc/38/96/09/630389609.db2.gz CNTROTOYMAALSA-CYBMUJFWSA-N 0 3 319.399 3.455 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000840978326 630390191 /nfs/dbraw/zinc/39/01/91/630390191.db2.gz NGXDMAVGDRHCHG-CVEARBPZSA-N 0 3 307.434 3.473 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)c([O-])c1 ZINC000841761118 630462917 /nfs/dbraw/zinc/46/29/17/630462917.db2.gz DJGYDYNWNIRFHW-OAHLLOKOSA-N 0 3 321.461 3.227 20 10 DGCDHN CC[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccccc1[O-] ZINC000841763741 630463443 /nfs/dbraw/zinc/46/34/43/630463443.db2.gz QMQBTLRABMVKTA-OAHLLOKOSA-N 0 3 307.434 3.001 20 10 DGCDHN COc1cc(Cl)cc(CN[C@H]2COCc3ccccc32)c1O ZINC000841891770 630473712 /nfs/dbraw/zinc/47/37/12/630473712.db2.gz UOFNLSXWOIMLIA-HNNXBMFYSA-N 0 3 319.788 3.415 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000842726231 630568111 /nfs/dbraw/zinc/56/81/11/630568111.db2.gz DDNSJVNIXJRAEH-GFCCVEGCSA-N 0 3 317.410 3.044 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c2c1c(F)ccc2[O-] ZINC000842885795 630589782 /nfs/dbraw/zinc/58/97/82/630589782.db2.gz PIFZSSQSHLQTEG-RAIGVLPGSA-N 0 3 320.408 3.069 20 10 DGCDHN Cc1cc([O-])c(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(Cl)c1 ZINC000843113777 630615322 /nfs/dbraw/zinc/61/53/22/630615322.db2.gz CYIRCNSNQCESKJ-WMLDXEAASA-N 0 3 316.832 3.281 20 10 DGCDHN Nc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000843356394 630649665 /nfs/dbraw/zinc/64/96/65/630649665.db2.gz MVNGRJVADRQZSH-GOSISDBHSA-N 0 3 312.413 3.156 20 10 DGCDHN Nc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000843356394 630649667 /nfs/dbraw/zinc/64/96/67/630649667.db2.gz MVNGRJVADRQZSH-GOSISDBHSA-N 0 3 312.413 3.156 20 10 DGCDHN CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000843428826 630657777 /nfs/dbraw/zinc/65/77/77/630657777.db2.gz OOBUNJWCCMBSNX-UHFFFAOYSA-N 0 3 305.418 3.336 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CO1 ZINC000843432174 630658293 /nfs/dbraw/zinc/65/82/93/630658293.db2.gz IRVGHLPEKCGYSC-RHSMWYFYSA-N 0 3 313.397 3.238 20 10 DGCDHN COc1ccc(N(C)CCN(C)CCc2csc(C)n2)cc1 ZINC000844402109 630724952 /nfs/dbraw/zinc/72/49/52/630724952.db2.gz UYHUWMYHXOHXQC-UHFFFAOYSA-N 0 3 319.474 3.071 20 10 DGCDHN CCn1cc(CN(Cc2cc(OC)c(C)cc2O)C(C)C)cn1 ZINC000844737985 630822586 /nfs/dbraw/zinc/82/25/86/630822586.db2.gz VFROHURQZFKLRP-UHFFFAOYSA-N 0 3 317.433 3.336 20 10 DGCDHN C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])[C@H]1CC[NH3+] ZINC000844902099 630970204 /nfs/dbraw/zinc/97/02/04/630970204.db2.gz NKKKRONGSYQLHW-HZMBPMFUSA-N 0 3 300.805 3.134 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000844911979 630977278 /nfs/dbraw/zinc/97/72/78/630977278.db2.gz QMFXELWNVAOWAU-MRXNPFEDSA-N 0 3 300.377 3.438 20 10 DGCDHN COc1ccc(O)c(CN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000846015540 631206028 /nfs/dbraw/zinc/20/60/28/631206028.db2.gz OGXOLZJOKKQDPK-UHFFFAOYSA-N 0 3 319.298 3.267 20 10 DGCDHN CCN1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000846092928 631209247 /nfs/dbraw/zinc/20/92/47/631209247.db2.gz KOICKMPFKJEHQQ-OAHLLOKOSA-N 0 3 324.424 3.017 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccccc1[O-] ZINC000846123674 631210977 /nfs/dbraw/zinc/21/09/77/631210977.db2.gz UDCFAJPLLQQNJE-HOTGVXAUSA-N 0 3 312.413 3.209 20 10 DGCDHN COc1cccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1O ZINC000846155732 631212577 /nfs/dbraw/zinc/21/25/77/631212577.db2.gz CIDGVCYMGYGHQO-GHMZBOCLSA-N 0 3 304.394 3.054 20 10 DGCDHN COc1cccc([C@@H](C)N[C@H](CCO)c2ccccc2F)c1O ZINC000846175146 631213602 /nfs/dbraw/zinc/21/36/02/631213602.db2.gz XFEQSVWBKVQCOD-MLGOLLRUSA-N 0 3 319.376 3.314 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c([O-])c1 ZINC000848559144 631692701 /nfs/dbraw/zinc/69/27/01/631692701.db2.gz AVHKQJJNTJZUAI-QZTJIDSGSA-N 0 3 305.418 3.228 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c([O-])c1 ZINC000848559143 631693116 /nfs/dbraw/zinc/69/31/16/631693116.db2.gz AVHKQJJNTJZUAI-MSOLQXFVSA-N 0 3 305.418 3.228 20 10 DGCDHN COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000848572167 631697840 /nfs/dbraw/zinc/69/78/40/631697840.db2.gz GYOXYNAEKAJJRL-GFCCVEGCSA-N 0 3 317.360 3.098 20 10 DGCDHN CCc1cccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000848912082 631784135 /nfs/dbraw/zinc/78/41/35/631784135.db2.gz AHRKNOWBCNLWCZ-OAHLLOKOSA-N 0 3 305.809 3.252 20 10 DGCDHN COc1ccc(N2CC[C@@H](NCc3ccc(Cl)o3)C2)cc1 ZINC000850345791 632119940 /nfs/dbraw/zinc/11/99/40/632119940.db2.gz KOMOHBDOPAXJFZ-GFCCVEGCSA-N 0 3 306.793 3.310 20 10 DGCDHN CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])[C@@H]1CCOC1 ZINC000850484122 632165996 /nfs/dbraw/zinc/16/59/96/632165996.db2.gz CPZZAWJCUAJXPW-YWPYICTPSA-N 0 3 313.825 3.056 20 10 DGCDHN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000850484610 632166874 /nfs/dbraw/zinc/16/68/74/632166874.db2.gz MMZGXMDPWAENPY-AWEZNQCLSA-N 0 3 312.413 3.188 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1[O-] ZINC000850500237 632172552 /nfs/dbraw/zinc/17/25/52/632172552.db2.gz DTGHJCARVDGUCN-SJORKVTESA-N 0 3 324.424 3.329 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(C)cc1[O-] ZINC000850503740 632174393 /nfs/dbraw/zinc/17/43/93/632174393.db2.gz YTEHHWVWKVJTIB-BEZKYQLSSA-N 0 3 309.475 3.431 20 10 DGCDHN Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3cccc([O-])c32)cn1 ZINC000850541292 632186636 /nfs/dbraw/zinc/18/66/36/632186636.db2.gz UVXFYSGSGHELJR-ULQDDVLXSA-N 0 3 311.429 3.114 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000850557945 632192546 /nfs/dbraw/zinc/19/25/46/632192546.db2.gz ORZLOYSSXWENSJ-ZBFHGGJFSA-N 0 3 318.461 3.388 20 10 DGCDHN CNC(=O)CC1(C[NH2+][C@H](C)c2ccccc2[O-])CCCCC1 ZINC000850558118 632192728 /nfs/dbraw/zinc/19/27/28/632192728.db2.gz ZOCZIYMPLCBVBH-CQSZACIVSA-N 0 3 304.434 3.129 20 10 DGCDHN CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC1 ZINC000850572574 632198198 /nfs/dbraw/zinc/19/81/98/632198198.db2.gz DLQQZJPUKJNAFY-AWEZNQCLSA-N 0 3 317.429 3.481 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000850572134 632198529 /nfs/dbraw/zinc/19/85/29/632198529.db2.gz BLNMGQLIYQCCLZ-ZJNRKIDTSA-N 0 3 303.377 3.347 20 10 DGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000174007933 659409594 /nfs/dbraw/zinc/40/95/94/659409594.db2.gz SEXPYJUXNPIKLN-HOTGVXAUSA-N 0 3 311.429 3.330 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@H]2CCO)c(C(F)(F)F)c1 ZINC000793093605 661004717 /nfs/dbraw/zinc/00/47/17/661004717.db2.gz PUERVQUZYZELOU-CYBMUJFWSA-N 0 3 316.367 3.118 20 10 DGCDHN CSc1ccccc1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000793232809 661015631 /nfs/dbraw/zinc/01/56/31/661015631.db2.gz NVSCGMVWAFYYQS-UHFFFAOYSA-N 0 3 317.410 3.475 20 10 DGCDHN COC(=O)CC1([NH2+]Cc2cc(Cl)cc(C)c2[O-])CCCC1 ZINC000793232548 661015740 /nfs/dbraw/zinc/01/57/40/661015740.db2.gz XTOXDNOHLLWIHP-UHFFFAOYSA-N 0 3 311.809 3.320 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c([O-])c1 ZINC000793389501 661029298 /nfs/dbraw/zinc/02/92/98/661029298.db2.gz ZWQMWNFZIWNAIR-UHFFFAOYSA-N 0 3 313.397 3.404 20 10 DGCDHN CCN(CC)c1ccc(CN[C@H](C)c2cc(C)nn2C)cc1 ZINC000793519888 661040920 /nfs/dbraw/zinc/04/09/20/661040920.db2.gz DQLAWEYLZKXJOC-OAHLLOKOSA-N 0 3 300.450 3.426 20 10 DGCDHN Cc1cccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1C ZINC000793570343 661046563 /nfs/dbraw/zinc/04/65/63/661046563.db2.gz MJFJKTZQXDSHRS-GOSISDBHSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1cccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1C ZINC000793570343 661046565 /nfs/dbraw/zinc/04/65/65/661046565.db2.gz MJFJKTZQXDSHRS-GOSISDBHSA-N 0 3 313.397 3.067 20 10 DGCDHN C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@H](C2CC2)O1 ZINC000794661318 661096425 /nfs/dbraw/zinc/09/64/25/661096425.db2.gz ZCRXWSVQQYBNAG-BFUOFWGJSA-N 0 3 301.430 3.270 20 10 DGCDHN CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(C)cc1[O-] ZINC000794789963 661105451 /nfs/dbraw/zinc/10/54/51/661105451.db2.gz BCMAQTRKCXMAFS-QGZVFWFLSA-N 0 3 301.434 3.334 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000794802382 661106305 /nfs/dbraw/zinc/10/63/05/661106305.db2.gz DZWTXDVAJCKNRY-TZMCWYRMSA-N 0 3 316.367 3.378 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000794817810 661107060 /nfs/dbraw/zinc/10/70/60/661107060.db2.gz RATNKTMYFSUKPP-ZFWWWQNUSA-N 0 3 304.434 3.141 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cccn(CC)c1=O)c1ccc(C)cc1[O-] ZINC000794829987 661107726 /nfs/dbraw/zinc/10/77/26/661107726.db2.gz XAFHMNNLZGJEKB-MRXNPFEDSA-N 0 3 300.402 3.123 20 10 DGCDHN CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000187685732 655630925 /nfs/dbraw/zinc/63/09/25/655630925.db2.gz LINNNGUVMCMTSS-KBPBESRZSA-N 0 3 320.433 3.300 20 10 DGCDHN CCOc1ccc(O)c(CN(CCOC)Cc2ccccc2)c1 ZINC000160451312 655635656 /nfs/dbraw/zinc/63/56/56/655635656.db2.gz NKWKQECUCIRUAY-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](O)c1ccc(F)cc1 ZINC000185469109 656126695 /nfs/dbraw/zinc/12/66/95/656126695.db2.gz MMCDUNGKCRKZNA-RVPKQNPDSA-N 0 3 307.340 3.443 20 10 DGCDHN CCc1nn(C)c(CC)c1CNCc1ccc(N(C)C)cc1C ZINC000162613590 656177769 /nfs/dbraw/zinc/17/77/69/656177769.db2.gz BWDKVXKFJRHOKM-UHFFFAOYSA-N 0 3 314.477 3.209 20 10 DGCDHN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1O ZINC000178408711 656287695 /nfs/dbraw/zinc/28/76/95/656287695.db2.gz GWDIEBDVKRHNCX-CYBMUJFWSA-N 0 3 300.402 3.318 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(F)ccc1[O-] ZINC000321328306 658166321 /nfs/dbraw/zinc/16/63/21/658166321.db2.gz JBNHCRWPDACELV-VHSXEESVSA-N 0 3 315.348 3.113 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCO[C@H](C)[C@H]3C)c2c1 ZINC000164144582 658919225 /nfs/dbraw/zinc/91/92/25/658919225.db2.gz UEPZTZFAPDKDGX-CHWSQXEVSA-N 0 3 301.386 3.163 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCCN(CC(F)(F)F)CC2)c1 ZINC000164356292 658929879 /nfs/dbraw/zinc/92/98/79/658929879.db2.gz ACELJIVILPOONY-UHFFFAOYSA-N 0 3 316.367 3.079 20 10 DGCDHN COc1cc(C)cc(CN2CCN(c3cccs3)CC2)c1O ZINC000164487310 658936648 /nfs/dbraw/zinc/93/66/48/658936648.db2.gz HIMPRGHGUUNGQQ-UHFFFAOYSA-N 0 3 318.442 3.093 20 10 DGCDHN C[C@H](CC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165198057 658969478 /nfs/dbraw/zinc/96/94/78/658969478.db2.gz PROUBZSFFBNMOQ-LLVKDONJSA-N 0 3 320.330 3.093 20 10 DGCDHN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000180100277 659951882 /nfs/dbraw/zinc/95/18/82/659951882.db2.gz ZNQWJBDLYUITFK-UHFFFAOYSA-N 0 3 300.196 3.148 20 10 DGCDHN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000180100277 659951883 /nfs/dbraw/zinc/95/18/83/659951883.db2.gz ZNQWJBDLYUITFK-UHFFFAOYSA-N 0 3 300.196 3.148 20 10 DGCDHN CCCCC[C@H](C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182406310 660051379 /nfs/dbraw/zinc/05/13/79/660051379.db2.gz VVDWINXUYUOJAT-KBPBESRZSA-N 0 3 322.449 3.136 20 10 DGCDHN CCC[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182953355 660092727 /nfs/dbraw/zinc/09/27/27/660092727.db2.gz HSLSEPSVBMHWOT-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN CCC[N@@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182953355 660092729 /nfs/dbraw/zinc/09/27/29/660092729.db2.gz HSLSEPSVBMHWOT-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN CCN(C)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cn1 ZINC000190907368 662049028 /nfs/dbraw/zinc/04/90/28/662049028.db2.gz BTXDOBHKGNXJMK-UHFFFAOYSA-N 0 3 316.424 3.033 20 10 DGCDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000192691139 662108282 /nfs/dbraw/zinc/10/82/82/662108282.db2.gz NZWSQZBVPWHDDZ-MNOVXSKESA-N 0 3 312.385 3.095 20 10 DGCDHN COc1ccc(N2CCN(CCc3cccs3)CC2)cc1 ZINC000195312608 662184341 /nfs/dbraw/zinc/18/43/41/662184341.db2.gz HRFZKVCSRJINEA-UHFFFAOYSA-N 0 3 302.443 3.121 20 10 DGCDHN COc1ccc(N2CCN(CCc3cccs3)CC2)cc1F ZINC000084866454 662204424 /nfs/dbraw/zinc/20/44/24/662204424.db2.gz DQPVRQXVZIBKBL-UHFFFAOYSA-N 0 3 320.433 3.261 20 10 DGCDHN COc1ccc(N2CCCN(Cc3ccc(C)o3)CC2)cc1 ZINC000092380672 662329960 /nfs/dbraw/zinc/32/99/60/662329960.db2.gz MEFAJAAWPGULHS-UHFFFAOYSA-N 0 3 300.402 3.309 20 10 DGCDHN CCC[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccccc1[O-] ZINC000092705046 662334386 /nfs/dbraw/zinc/33/43/86/662334386.db2.gz CGSZARLFWGAPQC-UHFFFAOYSA-N 0 3 322.412 3.385 20 10 DGCDHN CCC[N@@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccccc1[O-] ZINC000092705046 662334387 /nfs/dbraw/zinc/33/43/87/662334387.db2.gz CGSZARLFWGAPQC-UHFFFAOYSA-N 0 3 322.412 3.385 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000248534329 662351914 /nfs/dbraw/zinc/35/19/14/662351914.db2.gz ZRVABIVGMVORPY-LXIYXOSZSA-N 0 3 303.377 3.174 20 10 DGCDHN CC1(C)CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000248567621 662353594 /nfs/dbraw/zinc/35/35/94/662353594.db2.gz JSVVYAQRKGQHRZ-SJORKVTESA-N 0 3 319.445 3.331 20 10 DGCDHN CC1(C)CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000248567621 662353595 /nfs/dbraw/zinc/35/35/95/662353595.db2.gz JSVVYAQRKGQHRZ-SJORKVTESA-N 0 3 319.445 3.331 20 10 DGCDHN CCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCNCC1 ZINC001577526878 1191906834 /nfs/dbraw/zinc/90/68/34/1191906834.db2.gz ICOREBCCBHVXLW-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN CCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCNCC1 ZINC001577526878 1191906838 /nfs/dbraw/zinc/90/68/38/1191906838.db2.gz ICOREBCCBHVXLW-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN COc1ccc(CNC2(c3ccc(F)cc3)CC2)c(O)c1OC ZINC001333670760 1178650771 /nfs/dbraw/zinc/65/07/71/1178650771.db2.gz MIVMPJLYFWEXEI-UHFFFAOYSA-N 0 3 317.360 3.327 20 10 DGCDHN COc1ccc(O)c(CNCc2c(C)nn(C(C)C)c2C)c1 ZINC001333684575 1178652369 /nfs/dbraw/zinc/65/23/69/1178652369.db2.gz LHXHXMKEGKANQL-UHFFFAOYSA-N 0 3 303.406 3.085 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCS[C@@H](C)C2)c1[O-] ZINC001343288368 1179252420 /nfs/dbraw/zinc/25/24/20/1179252420.db2.gz UHDJSXKTTHWPMH-JOYOIKCWSA-N 0 3 301.839 3.428 20 10 DGCDHN CC(C)C[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001439960256 1182023503 /nfs/dbraw/zinc/02/35/03/1182023503.db2.gz LFTAGNYPXGXCMA-MAUKXSAKSA-N 0 3 319.493 3.154 20 10 DGCDHN Cc1cc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)ccc1N(C)C ZINC001460740444 1182714691 /nfs/dbraw/zinc/71/46/91/1182714691.db2.gz DMZQDTJSXNFTCJ-PUZFROQSSA-N 0 3 310.441 3.201 20 10 DGCDHN CCn1cnc(Cl)c1CNCCCSc1nccs1 ZINC001474018452 1183850980 /nfs/dbraw/zinc/85/09/80/1183850980.db2.gz OBBYLQBPBYGBJA-UHFFFAOYSA-N 0 3 316.883 3.285 20 10 DGCDHN CO[C@]1(C)C[C@H](NCc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001474022517 1183852870 /nfs/dbraw/zinc/85/28/70/1183852870.db2.gz XQYZTRBRERCVJC-DOTOQJQBSA-N 0 3 312.404 3.324 20 10 DGCDHN CN(C)c1ccc(CN(C)C[C@@H]2C[C@@]2(C)Br)cc1 ZINC001474307430 1183902411 /nfs/dbraw/zinc/90/24/11/1183902411.db2.gz LXNVTJNSUGXOEJ-DZGCQCFKSA-N 0 3 311.267 3.358 20 10 DGCDHN COc1cc(C)c(C[N@H+](CCCO)Cc2ccccc2)c([O-])c1 ZINC001474368329 1183910714 /nfs/dbraw/zinc/91/07/14/1183910714.db2.gz ZODIGXRWHUBABI-UHFFFAOYSA-N 0 3 315.413 3.094 20 10 DGCDHN COc1cc(C)c(C[N@@H+](CCCO)Cc2ccccc2)c([O-])c1 ZINC001474368329 1183910718 /nfs/dbraw/zinc/91/07/18/1183910718.db2.gz ZODIGXRWHUBABI-UHFFFAOYSA-N 0 3 315.413 3.094 20 10 DGCDHN COc1cccc(CNCc2cc3c(ccnc3Cl)o2)c1O ZINC001474501180 1183932106 /nfs/dbraw/zinc/93/21/06/1183932106.db2.gz VUOFMSAEBFVHDU-UHFFFAOYSA-N 0 3 318.760 3.485 20 10 DGCDHN CC(C)c1ccc(O)c(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC001474541173 1183937281 /nfs/dbraw/zinc/93/72/81/1183937281.db2.gz JYSXVOHLINQHLC-KRWDZBQOSA-N 0 3 303.377 3.478 20 10 DGCDHN CC[N@H+](CCOc1ccccc1OC)Cc1cc(F)ccc1[O-] ZINC001474646383 1183955011 /nfs/dbraw/zinc/95/50/11/1183955011.db2.gz SRGXVDVIJLDTSS-UHFFFAOYSA-N 0 3 319.376 3.441 20 10 DGCDHN CC[N@@H+](CCOc1ccccc1OC)Cc1cc(F)ccc1[O-] ZINC001474646383 1183955018 /nfs/dbraw/zinc/95/50/18/1183955018.db2.gz SRGXVDVIJLDTSS-UHFFFAOYSA-N 0 3 319.376 3.441 20 10 DGCDHN C[C@H]1CC[C@](CO)([NH2+]Cc2cc(F)ccc2[O-])c2ccccc21 ZINC001474757747 1183973496 /nfs/dbraw/zinc/97/34/96/1183973496.db2.gz ZGEULSRFLJPTMP-ORAYPTAESA-N 0 3 315.388 3.406 20 10 DGCDHN CC/C(C)=C(\C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539707385 1188199933 /nfs/dbraw/zinc/19/99/33/1188199933.db2.gz RDXPSTGOAUOBCN-LGHUBQEGSA-N 0 3 317.477 3.218 20 10 DGCDHN CCC(=CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC ZINC001616858238 1193549740 /nfs/dbraw/zinc/54/97/40/1193549740.db2.gz JJSINMZCQAMYIG-SFHVURJKSA-N 0 3 317.477 3.218 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001544580118 1188400295 /nfs/dbraw/zinc/40/02/95/1188400295.db2.gz FZASDOHLBSNNRT-UHFFFAOYSA-N 0 3 319.493 3.127 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cccc3nccn32)cc1 ZINC001560274537 1189303961 /nfs/dbraw/zinc/30/39/61/1189303961.db2.gz MCNWCFCIHWOHCS-UHFFFAOYSA-N 0 3 308.429 3.470 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@@H](C)C(=O)NC(C)C)cc1 ZINC001560505125 1189334189 /nfs/dbraw/zinc/33/41/89/1189334189.db2.gz MDGXQXIKUWGZRB-INIZCTEOSA-N 0 3 319.493 3.316 20 10 DGCDHN Cc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])c(N2CCCC2)n1 ZINC001560744283 1189372582 /nfs/dbraw/zinc/37/25/82/1189372582.db2.gz JRIYBSFMPDLTEZ-UHFFFAOYSA-N 0 3 315.392 3.125 20 10 DGCDHN COc1cc(C)c(CN2CCOc3ccc(C)cc3C2)c(O)c1 ZINC001560824979 1189389586 /nfs/dbraw/zinc/38/95/86/1189389586.db2.gz YEGYEXCQTSRKKC-UHFFFAOYSA-N 0 3 313.397 3.412 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC(C)(C)C2(O)CCCC2)c([O-])c1 ZINC001560886591 1189401120 /nfs/dbraw/zinc/40/11/20/1189401120.db2.gz GUJOLRNRPDEFPX-UHFFFAOYSA-N 0 3 307.434 3.130 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c([O-])c1 ZINC001561038442 1189424376 /nfs/dbraw/zinc/42/43/76/1189424376.db2.gz OHDUJROPKZZSLT-CABCVRRESA-N 0 3 305.418 3.301 20 10 DGCDHN C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1ccccc1[O-] ZINC001620505297 1193773425 /nfs/dbraw/zinc/77/34/25/1193773425.db2.gz VUJIUMBDFGAAIH-NSHDSACASA-N 0 3 304.777 3.335 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@@H]1c2ccccc2C[C@@H]1O ZINC001620746221 1193797368 /nfs/dbraw/zinc/79/73/68/1193797368.db2.gz DSDVNXLEAKKQQZ-VQTJNVASSA-N 0 3 306.409 3.235 20 10 DGCDHN Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(F)ccc3[O-])C2)cc1 ZINC001621490376 1193849739 /nfs/dbraw/zinc/84/97/39/1193849739.db2.gz ZIOGWIPGMUDCNL-GOSISDBHSA-N 0 3 314.404 3.204 20 10 DGCDHN COc1cc(C)cc(CNCc2cc3ccccc3[nH]c2=O)c1O ZINC001621572296 1193860176 /nfs/dbraw/zinc/86/01/76/1193860176.db2.gz UOLWITUNAFNJSF-UHFFFAOYSA-N 0 3 324.380 3.253 20 10 DGCDHN CC(C)N1CCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635969294 1194582762 /nfs/dbraw/zinc/58/27/62/1194582762.db2.gz OEXAOBKGCPNJHI-QGZVFWFLSA-N 0 3 312.413 3.034 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccnn2-c2ccccc2)c1 ZINC001651273810 1195436134 /nfs/dbraw/zinc/43/61/34/1195436134.db2.gz VDOKLEXXMXBRAA-AWEZNQCLSA-N 0 3 323.396 3.437 20 10 DGCDHN CCc1cccc(CNCc2ccnc(-c3ccccn3)n2)c1O ZINC001653026104 1195681543 /nfs/dbraw/zinc/68/15/43/1195681543.db2.gz XREUSEOUPCFVLD-UHFFFAOYSA-N 0 3 320.396 3.096 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2Cc3ccccc3O2)cc1F ZINC001657120793 1196107939 /nfs/dbraw/zinc/10/79/39/1196107939.db2.gz RHXDMQZGVZWVDH-CQSZACIVSA-N 0 3 318.367 3.124 20 10 DGCDHN CCOc1ccc(N2CCN(C[C@H](OC)C3CCC3)CC2)cc1 ZINC001657876504 1196189576 /nfs/dbraw/zinc/18/95/76/1196189576.db2.gz UDLBLTRDMUNXPY-IBGZPJMESA-N 0 3 318.461 3.022 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1F ZINC001657926698 1196193817 /nfs/dbraw/zinc/19/38/17/1196193817.db2.gz YQIAVVQMKYGWPX-BNLOLNQZSA-N 0 3 310.388 3.078 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)cc1F ZINC001657926699 1196194220 /nfs/dbraw/zinc/19/42/20/1196194220.db2.gz YQIAVVQMKYGWPX-BTJLNZGRSA-N 0 3 310.388 3.078 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2cccc3c2OCC3)cc1 ZINC001658052062 1196206273 /nfs/dbraw/zinc/20/62/73/1196206273.db2.gz ZLZWXUUSBMZEQX-PLNGDYQASA-N 0 3 308.425 3.491 20 10 DGCDHN COc1cc(C)c(CN[C@@H]2C[C@@]2(F)c2ccccc2)c(O)c1 ZINC001658402310 1196251577 /nfs/dbraw/zinc/25/15/77/1196251577.db2.gz CYRNSODCTYOGIV-QZTJIDSGSA-N 0 3 301.361 3.436 20 10 DGCDHN CCN(CCC[NH+](CC)CC)Cc1cc(F)cc(F)c1[O-] ZINC001659699946 1196407223 /nfs/dbraw/zinc/40/72/23/1196407223.db2.gz SXFGRVBGSLFLEW-UHFFFAOYSA-N 0 3 300.393 3.224 20 10 DGCDHN COc1cc(C)c(C[NH2+]Cc2cccc3c2CCOC3)c([O-])c1 ZINC001659756833 1196411773 /nfs/dbraw/zinc/41/17/73/1196411773.db2.gz CGNNRZXHRNVOBR-UHFFFAOYSA-N 0 3 313.397 3.072 20 10 DGCDHN C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)c1ccccc1[O-] ZINC001659815755 1196417245 /nfs/dbraw/zinc/41/72/45/1196417245.db2.gz SOHYNNHOCPIRRL-LBPRGKRZSA-N 0 3 302.349 3.211 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c([O-])c1 ZINC001660109594 1196447454 /nfs/dbraw/zinc/44/74/54/1196447454.db2.gz JDGOMIPPQAKESW-YOEHRIQHSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c([O-])c1 ZINC001660109594 1196447455 /nfs/dbraw/zinc/44/74/55/1196447455.db2.gz JDGOMIPPQAKESW-YOEHRIQHSA-N 0 3 305.418 3.100 20 10 DGCDHN CN(C)c1cc(F)c(CNCCSC(F)(F)F)cc1F ZINC001660930511 1196543532 /nfs/dbraw/zinc/54/35/32/1196543532.db2.gz AGOUNBDRFRUXOZ-UHFFFAOYSA-N 0 3 314.323 3.373 20 10 DGCDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1 ZINC001661396928 1196601596 /nfs/dbraw/zinc/60/15/96/1196601596.db2.gz KTLZJWWNCVAWKX-MRXNPFEDSA-N 0 3 323.440 3.404 20 10 DGCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C12CCC2 ZINC001663821126 1196948755 /nfs/dbraw/zinc/94/87/55/1196948755.db2.gz CVSBZEUZMLHIKM-ZWKOTPCHSA-N 0 3 319.445 3.489 20 10 DGCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C12CCC2 ZINC001663821126 1196948758 /nfs/dbraw/zinc/94/87/58/1196948758.db2.gz CVSBZEUZMLHIKM-ZWKOTPCHSA-N 0 3 319.445 3.489 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC001664441109 1196999504 /nfs/dbraw/zinc/99/95/04/1196999504.db2.gz VVUAUSNFRJRKBE-ZIAGYGMSSA-N 0 3 307.434 3.393 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c([O-])c1 ZINC001665290439 1197119388 /nfs/dbraw/zinc/11/93/88/1197119388.db2.gz VKZYYMYNXMABDP-KFKAGJAMSA-N 0 3 313.372 3.276 20 10 DGCDHN CC/C=C(\C)C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001668731770 1197427193 /nfs/dbraw/zinc/42/71/93/1197427193.db2.gz LPKDKTAEECZWBW-FTLCMBAGSA-N 0 3 316.445 3.122 20 10 DGCDHN COc1ccc(CN2CCN(c3cccc(C)c3)CC2)c(O)c1 ZINC000155974898 1202599522 /nfs/dbraw/zinc/59/95/22/1202599522.db2.gz BSXZRWHGHHWURR-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001140057867 1081777097 /nfs/dbraw/zinc/77/70/97/1081777097.db2.gz QMYMYQPAPHICBX-YGRLFVJLSA-N 0 3 321.314 3.057 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001140057867 1081777103 /nfs/dbraw/zinc/77/71/03/1081777103.db2.gz QMYMYQPAPHICBX-YGRLFVJLSA-N 0 3 321.314 3.057 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170676132 1083082429 /nfs/dbraw/zinc/08/24/29/1083082429.db2.gz WJNLQBSODAUSQR-CYBMUJFWSA-N 0 3 305.324 3.023 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN1CCOC(C2CC2)(C2CC2)C1 ZINC001183058983 1083870753 /nfs/dbraw/zinc/87/07/53/1083870753.db2.gz HZVWPXYTKBLATN-UHFFFAOYSA-N 0 3 314.473 3.452 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC001183980733 1084080573 /nfs/dbraw/zinc/08/05/73/1084080573.db2.gz DVQIUJDGISFYJS-CYBMUJFWSA-N 0 3 307.434 3.393 20 10 DGCDHN COc1ccc([C@H]2CC[N@H+](Cc3ccc(OC)cc3[O-])C2)cc1 ZINC000092783654 1084727311 /nfs/dbraw/zinc/72/73/11/1084727311.db2.gz UYWZYDAGYJEYHQ-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc([C@H]2CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)cc1 ZINC000092783654 1084727316 /nfs/dbraw/zinc/72/73/16/1084727316.db2.gz UYWZYDAGYJEYHQ-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272619473 1088325937 /nfs/dbraw/zinc/32/59/37/1088325937.db2.gz WEGFARPZDAJIDD-LJQANCHMSA-N 0 3 316.445 3.149 20 10 DGCDHN CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272619473 1088325951 /nfs/dbraw/zinc/32/59/51/1088325951.db2.gz WEGFARPZDAJIDD-LJQANCHMSA-N 0 3 316.445 3.149 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@@]34C[C@@H]3CCN4)n2)cc1 ZINC001212341854 1089623313 /nfs/dbraw/zinc/62/33/13/1089623313.db2.gz ZUAPCZNGRDKACM-HNAYVOBHSA-N 0 3 320.396 3.353 20 10 DGCDHN O=C1CC2(CCN(Cc3ccccc3O)CC2)Oc2ccccc21 ZINC001203556084 1090754399 /nfs/dbraw/zinc/75/43/99/1090754399.db2.gz KAYPZGAPHVOQJM-UHFFFAOYSA-N 0 3 323.392 3.392 20 10 DGCDHN Oc1ccccc1CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001203561698 1090757270 /nfs/dbraw/zinc/75/72/70/1090757270.db2.gz YAUIKJKBPICTGL-UHFFFAOYSA-N 0 3 308.425 3.199 20 10 DGCDHN COc1ccc(CN2CCN(c3ccc(C)cc3)CC2)c(O)c1 ZINC001203617220 1090767192 /nfs/dbraw/zinc/76/71/92/1090767192.db2.gz MLQYOPQAKNGQKD-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)c([O-])c1 ZINC001203629434 1090768904 /nfs/dbraw/zinc/76/89/04/1090768904.db2.gz KGCUZZVDKBWRKA-QGZVFWFLSA-N 0 3 313.397 3.363 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3C)C2)c([O-])c1 ZINC001203629434 1090768909 /nfs/dbraw/zinc/76/89/09/1090768909.db2.gz KGCUZZVDKBWRKA-QGZVFWFLSA-N 0 3 313.397 3.363 20 10 DGCDHN COc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c([O-])c1 ZINC001203634561 1090769886 /nfs/dbraw/zinc/76/98/86/1090769886.db2.gz LYVCYMINQAEVNW-AWEZNQCLSA-N 0 3 321.417 3.097 20 10 DGCDHN COc1ccc(C[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c([O-])c1 ZINC001203634561 1090769896 /nfs/dbraw/zinc/76/98/96/1090769896.db2.gz LYVCYMINQAEVNW-AWEZNQCLSA-N 0 3 321.417 3.097 20 10 DGCDHN COc1ccc(O)c(CN2CC[C@@H]2COCc2ccccc2)c1 ZINC001203677949 1090779220 /nfs/dbraw/zinc/77/92/20/1090779220.db2.gz BRUHUGIMHFTYCA-QGZVFWFLSA-N 0 3 313.397 3.192 20 10 DGCDHN CC(C)(C)c1cccc(CN2CCOC3(CCOCC3)C2)c1O ZINC001143112086 1090938133 /nfs/dbraw/zinc/93/81/33/1090938133.db2.gz JOPPEPNRFMIJLD-UHFFFAOYSA-N 0 3 319.445 3.071 20 10 DGCDHN COc1cc(CN(C)CCc2cccc(Cl)c2)cc(O)c1O ZINC001204345794 1090952774 /nfs/dbraw/zinc/95/27/74/1090952774.db2.gz XUQCKZZXCGBPMU-UHFFFAOYSA-N 0 3 321.804 3.434 20 10 DGCDHN COc1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)cc(O)c1O ZINC001204346437 1090953115 /nfs/dbraw/zinc/95/31/15/1090953115.db2.gz PMDRNJJLNVHAIN-CQSZACIVSA-N 0 3 317.360 3.235 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC001205238834 1091144816 /nfs/dbraw/zinc/14/48/16/1091144816.db2.gz XNSHZXHWSSXUGD-ROUUACIJSA-N 0 3 305.418 3.004 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@]3(CCCO3)C2)c(OC)c1 ZINC001138385850 1091161513 /nfs/dbraw/zinc/16/15/13/1091161513.db2.gz AXRPEOYMQLWUEC-IBGZPJMESA-N 0 3 318.461 3.296 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001138390437 1091164803 /nfs/dbraw/zinc/16/48/03/1091164803.db2.gz WZQQUAWHVCQKMF-SJLPKXTDSA-N 0 3 318.461 3.152 20 10 DGCDHN N[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CC[C@H]1F ZINC001206201816 1091531846 /nfs/dbraw/zinc/53/18/46/1091531846.db2.gz YZWAOVUGQYUFLD-MSOLQXFVSA-N 0 3 314.404 3.320 20 10 DGCDHN N[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CC[C@H]1F ZINC001206201816 1091531851 /nfs/dbraw/zinc/53/18/51/1091531851.db2.gz YZWAOVUGQYUFLD-MSOLQXFVSA-N 0 3 314.404 3.320 20 10 DGCDHN Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060496 1091753470 /nfs/dbraw/zinc/75/34/70/1091753470.db2.gz YMZWJDJXUPEVSR-MRXNPFEDSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060496 1091753477 /nfs/dbraw/zinc/75/34/77/1091753477.db2.gz YMZWJDJXUPEVSR-MRXNPFEDSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1ccc(O)c(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001140617453 1091932298 /nfs/dbraw/zinc/93/22/98/1091932298.db2.gz OVCRWOCRZAGGBL-AWEZNQCLSA-N 0 3 307.390 3.227 20 10 DGCDHN Cc1cccc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140742355 1091982467 /nfs/dbraw/zinc/98/24/67/1091982467.db2.gz LLTRWOUIMCMPLE-UHFFFAOYSA-N 0 3 312.413 3.037 20 10 DGCDHN CCCCCCN1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140745238 1091983929 /nfs/dbraw/zinc/98/39/29/1091983929.db2.gz AVGGSGJBVJWURC-UHFFFAOYSA-N 0 3 306.450 3.104 20 10 DGCDHN Cc1c(O)ccc(CN2CCOC[C@H]2C2CCCCC2)c1O ZINC001140749704 1091985782 /nfs/dbraw/zinc/98/57/82/1091985782.db2.gz JYAYDVBVOCMNOL-INIZCTEOSA-N 0 3 305.418 3.187 20 10 DGCDHN COc1ccc(N2CCN(CCc3cccc(C)c3)CC2)cc1 ZINC001207532752 1092012571 /nfs/dbraw/zinc/01/25/71/1092012571.db2.gz DJIFDKYMUAHVNE-UHFFFAOYSA-N 0 3 310.441 3.368 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CCCc3ccccc3C2)c(OC)c1 ZINC001141028656 1092110448 /nfs/dbraw/zinc/11/04/48/1092110448.db2.gz YXDKYBRQONCRMW-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CCCc3ccccc3C2)c(OC)c1 ZINC001141028656 1092110457 /nfs/dbraw/zinc/11/04/57/1092110457.db2.gz YXDKYBRQONCRMW-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN COc1cc(O)c(CN2CCc3ccc(C)cc3C2)c(OC)c1 ZINC001141031457 1092112806 /nfs/dbraw/zinc/11/28/06/1092112806.db2.gz FLODAYLJNDNRFJ-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN c1cncc(C2CN(Cc3cc4c5c(c3)CCCN5CCC4)C2)c1 ZINC001141078441 1092131627 /nfs/dbraw/zinc/13/16/27/1092131627.db2.gz VZHZDPUYALGJRR-UHFFFAOYSA-N 0 3 319.452 3.380 20 10 DGCDHN C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001168871123 1092406507 /nfs/dbraw/zinc/40/65/07/1092406507.db2.gz GZGNTRLWAWAXRD-HIFRSBDPSA-N 0 3 320.433 3.222 20 10 DGCDHN C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001168871123 1092406512 /nfs/dbraw/zinc/40/65/12/1092406512.db2.gz GZGNTRLWAWAXRD-HIFRSBDPSA-N 0 3 320.433 3.222 20 10 DGCDHN CCOC(=O)[C@H]1CC[C@H](C[N@H+](C)Cc2ccccc2[O-])CC1 ZINC001209010760 1092623312 /nfs/dbraw/zinc/62/33/12/1092623312.db2.gz HJCVIEKQABEQJS-SHTZXODSSA-N 0 3 305.418 3.194 20 10 DGCDHN CCOC(=O)[C@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001209010760 1092623317 /nfs/dbraw/zinc/62/33/17/1092623317.db2.gz HJCVIEKQABEQJS-SHTZXODSSA-N 0 3 305.418 3.194 20 10 DGCDHN CCOc1ccc(N2CCN(CCCCCOC)CC2)cc1 ZINC001336436108 1094649582 /nfs/dbraw/zinc/64/95/82/1094649582.db2.gz RRIACHOMSVRCJJ-UHFFFAOYSA-N 0 3 306.450 3.024 20 10 DGCDHN COc1ccc(CNCc2c(Cl)cccc2N(C)C)c(O)c1 ZINC001116879176 1095688756 /nfs/dbraw/zinc/68/87/56/1095688756.db2.gz QLSVIJQZPFNHBC-UHFFFAOYSA-N 0 3 320.820 3.410 20 10 DGCDHN Oc1cc(O)c(CN2CCc3ccc(Cl)cc3C2)c(O)c1 ZINC001144500656 1095689493 /nfs/dbraw/zinc/68/94/93/1095689493.db2.gz YCXLRJNQAWCGTK-UHFFFAOYSA-N 0 3 305.761 3.015 20 10 DGCDHN CCOc1ccc(N2CC3(C2)CCN(Cc2ccc[nH]2)C3)cc1 ZINC001276925833 1096078747 /nfs/dbraw/zinc/07/87/47/1096078747.db2.gz KBAVKGHVZKUILJ-UHFFFAOYSA-N 0 3 311.429 3.126 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171345130 1096497292 /nfs/dbraw/zinc/49/72/92/1096497292.db2.gz HHYCLPRSLPPTED-ZDUSSCGKSA-N 0 3 305.324 3.023 20 10 DGCDHN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939378 1097017401 /nfs/dbraw/zinc/01/74/01/1097017401.db2.gz UXCUTQUIIQHCLC-CRAIPNDOSA-N 0 3 311.429 3.362 20 10 DGCDHN COc1ccc(Br)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1[O-] ZINC001231554122 1097779069 /nfs/dbraw/zinc/77/90/69/1097779069.db2.gz JEWZNZYNQDXJDE-VHSXEESVSA-N 0 3 312.207 3.148 20 10 DGCDHN COc1ccc(Br)c(CN2C3CCC2CC3)c1O ZINC001231553661 1097778774 /nfs/dbraw/zinc/77/87/74/1097778774.db2.gz AEKNIYWDKBANCT-UHFFFAOYSA-N 0 3 312.207 3.290 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1[O-] ZINC001231554122 1097779067 /nfs/dbraw/zinc/77/90/67/1097779067.db2.gz JEWZNZYNQDXJDE-VHSXEESVSA-N 0 3 312.207 3.148 20 10 DGCDHN COc1cc(CN2CCC[C@H]2c2ccc(C)nc2)c(O)cc1O ZINC001231637644 1097798349 /nfs/dbraw/zinc/79/83/49/1097798349.db2.gz PJJIRTRHHRQKJJ-HNNXBMFYSA-N 0 3 314.385 3.147 20 10 DGCDHN Cc1cc(C)c(CN2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001231847922 1097862325 /nfs/dbraw/zinc/86/23/25/1097862325.db2.gz FTXKWYIVDDAEPR-SFHVURJKSA-N 0 3 311.425 3.453 20 10 DGCDHN Cc1cc(C)c(CN2CCN(c3ccccc3F)CC2)c(O)c1 ZINC001231845989 1097862484 /nfs/dbraw/zinc/86/24/84/1097862484.db2.gz WYKSEYFVMOHBCY-UHFFFAOYSA-N 0 3 314.404 3.470 20 10 DGCDHN COc1cc(N(C)C)ccc1CN(C)CCOc1ccccc1 ZINC001231853042 1097865022 /nfs/dbraw/zinc/86/50/22/1097865022.db2.gz RKDMRUSPQPPAJZ-UHFFFAOYSA-N 0 3 314.429 3.272 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1Cl ZINC001231869926 1097869469 /nfs/dbraw/zinc/86/94/69/1097869469.db2.gz ARFMWYHKXXWLAY-HNNXBMFYSA-N 0 3 318.804 3.402 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1Cl ZINC001231869926 1097869476 /nfs/dbraw/zinc/86/94/76/1097869476.db2.gz ARFMWYHKXXWLAY-HNNXBMFYSA-N 0 3 318.804 3.402 20 10 DGCDHN COC(=O)c1c(CN2CCC[C@@H](CF)C2)c2ccccc2n1C ZINC001232407424 1098030449 /nfs/dbraw/zinc/03/04/49/1098030449.db2.gz OONMDABTEQWWNJ-ZDUSSCGKSA-N 0 3 318.392 3.146 20 10 DGCDHN COC(=O)c1c(CN2CCC(C)(C)C2)c2ccccc2n1C ZINC001232408141 1098030535 /nfs/dbraw/zinc/03/05/35/1098030535.db2.gz WZUCHZMDDMPFQR-UHFFFAOYSA-N 0 3 300.402 3.197 20 10 DGCDHN CCOC(=O)c1c(CN2CCCC23CC3)c2ccccc2n1C ZINC001233270123 1098269773 /nfs/dbraw/zinc/26/97/73/1098269773.db2.gz BABRWRITFHPOCW-UHFFFAOYSA-N 0 3 312.413 3.483 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(CO)CC2)c1[O-] ZINC001233287634 1098277471 /nfs/dbraw/zinc/27/74/71/1098277471.db2.gz ANGNVUVGOFNDMH-INIZCTEOSA-N 0 3 313.825 3.039 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(CO)CC2)c1[O-] ZINC001233287634 1098277475 /nfs/dbraw/zinc/27/74/75/1098277475.db2.gz ANGNVUVGOFNDMH-INIZCTEOSA-N 0 3 313.825 3.039 20 10 DGCDHN CCOC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233755291 1098423251 /nfs/dbraw/zinc/42/32/51/1098423251.db2.gz TXKCVLKCSYVBSY-UHFFFAOYSA-N 0 3 319.323 3.292 20 10 DGCDHN [O-]c1c(C[N@@H+]2CCC[C@H](CF)C2)cccc1OC(F)(F)F ZINC001233761007 1098424933 /nfs/dbraw/zinc/42/49/33/1098424933.db2.gz NOHFGIDSRBWSDT-SNVBAGLBSA-N 0 3 307.287 3.472 20 10 DGCDHN [O-]c1c(C[N@H+]2CCC[C@H](CF)C2)cccc1OC(F)(F)F ZINC001233761007 1098424935 /nfs/dbraw/zinc/42/49/35/1098424935.db2.gz NOHFGIDSRBWSDT-SNVBAGLBSA-N 0 3 307.287 3.472 20 10 DGCDHN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233768044 1098426714 /nfs/dbraw/zinc/42/67/14/1098426714.db2.gz JWJWBGURCQXAFX-LBPRGKRZSA-N 0 3 319.323 3.026 20 10 DGCDHN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233768044 1098426718 /nfs/dbraw/zinc/42/67/18/1098426718.db2.gz JWJWBGURCQXAFX-LBPRGKRZSA-N 0 3 319.323 3.026 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2cccc3c2OCO3)cc1 ZINC001177446419 1098539037 /nfs/dbraw/zinc/53/90/37/1098539037.db2.gz MZMAPPBAMPYSBF-SNAWJCMRSA-N 0 3 310.397 3.284 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H](C)C3CCOCC3)cc2)CC1 ZINC001234658127 1098634663 /nfs/dbraw/zinc/63/46/63/1098634663.db2.gz VATPLGQRAWOXKC-MRXNPFEDSA-N 0 3 318.461 3.022 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H](C)c3nccs3)cc2)CC1 ZINC001234661471 1098636349 /nfs/dbraw/zinc/63/63/49/1098636349.db2.gz UDRDGGUWGFRWJL-AWEZNQCLSA-N 0 3 317.458 3.425 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC3(C2)CCC[NH2+]3)cc1Cl ZINC001235204062 1098876615 /nfs/dbraw/zinc/87/66/15/1098876615.db2.gz CLRUIGDOMFKVQJ-UHFFFAOYSA-N 0 3 308.853 3.281 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cccc3[nH]c(=O)oc32)c1 ZINC001179053421 1099002027 /nfs/dbraw/zinc/00/20/27/1099002027.db2.gz LQGSJXXHDGNLQK-JTQLQIEISA-N 0 3 314.341 3.098 20 10 DGCDHN CC(C)(C)c1ccc(CN2CC(N3CCCCC3)C2)c(O)c1 ZINC001235677514 1099120440 /nfs/dbraw/zinc/12/04/40/1099120440.db2.gz FISSQBGRMIZHIC-UHFFFAOYSA-N 0 3 302.462 3.360 20 10 DGCDHN CC(=O)N(C)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235678682 1099121705 /nfs/dbraw/zinc/12/17/05/1099121705.db2.gz KTPFMAGVQBEWJQ-UHFFFAOYSA-N 0 3 318.461 3.132 20 10 DGCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235679595 1099121896 /nfs/dbraw/zinc/12/18/96/1099121896.db2.gz PYFUBNPRPWKEIR-HNNXBMFYSA-N 0 3 305.418 3.217 20 10 DGCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235679595 1099121897 /nfs/dbraw/zinc/12/18/97/1099121897.db2.gz PYFUBNPRPWKEIR-HNNXBMFYSA-N 0 3 305.418 3.217 20 10 DGCDHN CN1CCC[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@H]21 ZINC001235678089 1099122804 /nfs/dbraw/zinc/12/28/04/1099122804.db2.gz ADYPRGVBONWUPI-WMLDXEAASA-N 0 3 302.462 3.216 20 10 DGCDHN CN1CCC[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@H]21 ZINC001235678089 1099122806 /nfs/dbraw/zinc/12/28/06/1099122806.db2.gz ADYPRGVBONWUPI-WMLDXEAASA-N 0 3 302.462 3.216 20 10 DGCDHN CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679255 1099122864 /nfs/dbraw/zinc/12/28/64/1099122864.db2.gz DRECJZYGRQJLNV-QGZVFWFLSA-N 0 3 318.461 3.132 20 10 DGCDHN CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679255 1099122869 /nfs/dbraw/zinc/12/28/69/1099122869.db2.gz DRECJZYGRQJLNV-QGZVFWFLSA-N 0 3 318.461 3.132 20 10 DGCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681856 1099124676 /nfs/dbraw/zinc/12/46/76/1099124676.db2.gz RIAXMEFWGQSCAP-GOSISDBHSA-N 0 3 305.418 3.075 20 10 DGCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681856 1099124680 /nfs/dbraw/zinc/12/46/80/1099124680.db2.gz RIAXMEFWGQSCAP-GOSISDBHSA-N 0 3 305.418 3.075 20 10 DGCDHN CN(Cc1cc(Cl)c(Cl)cc1[O-])C[C@H]1CCC[NH2+]C1 ZINC001235958212 1099289191 /nfs/dbraw/zinc/28/91/91/1099289191.db2.gz ZBQHSEYDTJXMSJ-JTQLQIEISA-N 0 3 303.233 3.130 20 10 DGCDHN COc1cc(C)c(CN(C)Cc2ccc(OC)c(O)c2)c(O)c1 ZINC001180158568 1099335817 /nfs/dbraw/zinc/33/58/17/1099335817.db2.gz XIFLLJPHVQGRSG-UHFFFAOYSA-N 0 3 317.385 3.055 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236116317 1099404884 /nfs/dbraw/zinc/40/48/84/1099404884.db2.gz LRCJEJJGSPBIGL-ZDUSSCGKSA-N 0 3 308.834 3.254 20 10 DGCDHN CCCN(Cc1c([O-])ccc(F)c1Cl)C1CC[NH2+]CC1 ZINC001236183905 1099452151 /nfs/dbraw/zinc/45/21/51/1099452151.db2.gz BJCYFNPZBVIJTD-UHFFFAOYSA-N 0 3 300.805 3.149 20 10 DGCDHN CCC[N@H+](Cc1ccc(C(F)(F)F)cc1[O-])C1CCNCC1 ZINC001236184758 1099455254 /nfs/dbraw/zinc/45/52/54/1099455254.db2.gz NXBXQADSZHVBMN-UHFFFAOYSA-N 0 3 316.367 3.375 20 10 DGCDHN CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1[O-])C1CCNCC1 ZINC001236184758 1099455258 /nfs/dbraw/zinc/45/52/58/1099455258.db2.gz NXBXQADSZHVBMN-UHFFFAOYSA-N 0 3 316.367 3.375 20 10 DGCDHN Cc1cc([O-])c(CN(CC[NH3+])Cc2ccccc2)cc1Cl ZINC001236523717 1099659108 /nfs/dbraw/zinc/65/91/08/1099659108.db2.gz IHLJRSRQKDCHHT-UHFFFAOYSA-N 0 3 304.821 3.315 20 10 DGCDHN CC1CC([N@H+](C)Cc2cc(O)c(Br)cc2[O-])C1 ZINC001236768915 1099776856 /nfs/dbraw/zinc/77/68/56/1099776856.db2.gz SBRQNMAKGDSQLI-UHFFFAOYSA-N 0 3 300.196 3.091 20 10 DGCDHN CC1CC([N@@H+](C)Cc2cc(O)c(Br)cc2[O-])C1 ZINC001236768915 1099776862 /nfs/dbraw/zinc/77/68/62/1099776862.db2.gz SBRQNMAKGDSQLI-UHFFFAOYSA-N 0 3 300.196 3.091 20 10 DGCDHN CCc1ccc(C[N@H+](C)CCc2noc(C(C)C)n2)c([O-])c1 ZINC001236782405 1099781273 /nfs/dbraw/zinc/78/12/73/1099781273.db2.gz AZSIBZZSLYQZAG-UHFFFAOYSA-N 0 3 303.406 3.136 20 10 DGCDHN CCc1ccc(C[N@@H+](C)CCc2noc(C(C)C)n2)c([O-])c1 ZINC001236782405 1099781280 /nfs/dbraw/zinc/78/12/80/1099781280.db2.gz AZSIBZZSLYQZAG-UHFFFAOYSA-N 0 3 303.406 3.136 20 10 DGCDHN CCc1ccc(C[N@H+](CCC(=O)OC)C2CCCC2)c([O-])c1 ZINC001236786637 1099783652 /nfs/dbraw/zinc/78/36/52/1099783652.db2.gz FWPWYNBPEGRZOR-UHFFFAOYSA-N 0 3 305.418 3.262 20 10 DGCDHN CCc1ccc(C[N@@H+](CCC(=O)OC)C2CCCC2)c([O-])c1 ZINC001236786637 1099783659 /nfs/dbraw/zinc/78/36/59/1099783659.db2.gz FWPWYNBPEGRZOR-UHFFFAOYSA-N 0 3 305.418 3.262 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c([O-])c1 ZINC001236786447 1099784017 /nfs/dbraw/zinc/78/40/17/1099784017.db2.gz DJWSXTKWZCWKFY-UHFFFAOYSA-N 0 3 323.440 3.223 20 10 DGCDHN CCc1ccc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c([O-])c1 ZINC001236786447 1099784024 /nfs/dbraw/zinc/78/40/24/1099784024.db2.gz DJWSXTKWZCWKFY-UHFFFAOYSA-N 0 3 323.440 3.223 20 10 DGCDHN CCc1ccc(CN2CCN(C)c3nc(C)ccc3C2)c(O)c1 ZINC001236788939 1099785615 /nfs/dbraw/zinc/78/56/15/1099785615.db2.gz XPWGZKZPEMYOIB-UHFFFAOYSA-N 0 3 311.429 3.110 20 10 DGCDHN C[NH+]1CCC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)CC1 ZINC001236798693 1099793727 /nfs/dbraw/zinc/79/37/27/1099793727.db2.gz KSRNXEVGTMFHFH-UHFFFAOYSA-N 0 3 315.244 3.227 20 10 DGCDHN COC(=O)CC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236830632 1099814099 /nfs/dbraw/zinc/81/40/99/1099814099.db2.gz PSAMUYADKFLDCW-UHFFFAOYSA-N 0 3 313.397 3.321 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001236830899 1099816725 /nfs/dbraw/zinc/81/67/25/1099816725.db2.gz DKCFFMBWEOKXCE-UHFFFAOYSA-N 0 3 314.404 3.164 20 10 DGCDHN O=C1CCCC2(CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)N1 ZINC001236832375 1099817210 /nfs/dbraw/zinc/81/72/10/1099817210.db2.gz LOTLMKJJGHCWOO-UHFFFAOYSA-N 0 3 324.424 3.180 20 10 DGCDHN CC1(C)CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236927309 1099879187 /nfs/dbraw/zinc/87/91/87/1099879187.db2.gz OGXPHVFRNSZAKO-UHFFFAOYSA-N 0 3 308.853 3.409 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCCC12CC2 ZINC001237052391 1099944103 /nfs/dbraw/zinc/94/41/03/1099944103.db2.gz WWJQMHKAXPGPAV-UHFFFAOYSA-N 0 3 301.308 3.462 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCCC12CC2 ZINC001237052391 1099944111 /nfs/dbraw/zinc/94/41/11/1099944111.db2.gz WWJQMHKAXPGPAV-UHFFFAOYSA-N 0 3 301.308 3.462 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237055904 1099947623 /nfs/dbraw/zinc/94/76/23/1099947623.db2.gz QQTJVJYPKXCGOI-GMXVVIOVSA-N 0 3 319.298 3.266 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237055904 1099947628 /nfs/dbraw/zinc/94/76/28/1099947628.db2.gz QQTJVJYPKXCGOI-GMXVVIOVSA-N 0 3 319.298 3.266 20 10 DGCDHN CCNC(=O)OC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237055473 1099948748 /nfs/dbraw/zinc/94/87/48/1099948748.db2.gz PGFTXZFAHGBWSS-UHFFFAOYSA-N 0 3 320.433 3.226 20 10 DGCDHN CO[C@@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)[C@@H](C)C1 ZINC001237126453 1099984441 /nfs/dbraw/zinc/98/44/41/1099984441.db2.gz YFSITRYJOCMLNV-WDEREUQCSA-N 0 3 319.323 3.290 20 10 DGCDHN Oc1ccc(C(F)(F)F)cc1CN1CC(N2CCCCC2)C1 ZINC001237139420 1099988391 /nfs/dbraw/zinc/98/83/91/1099988391.db2.gz FAAKHEIEICIPNM-UHFFFAOYSA-N 0 3 314.351 3.081 20 10 DGCDHN CO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@H](C)C1 ZINC001237139704 1099990201 /nfs/dbraw/zinc/99/02/01/1099990201.db2.gz BWWGQEBWTSQEQT-ZWNOBZJWSA-N 0 3 303.324 3.410 20 10 DGCDHN CO[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])[C@H](C)C1 ZINC001237139704 1099990211 /nfs/dbraw/zinc/99/02/11/1099990211.db2.gz BWWGQEBWTSQEQT-ZWNOBZJWSA-N 0 3 303.324 3.410 20 10 DGCDHN Oc1ccc(C(F)(F)F)cc1CN1CCNC2=CCCC[C@@H]21 ZINC001237227600 1100039290 /nfs/dbraw/zinc/03/92/90/1100039290.db2.gz BSQMKPFJNXBOSY-AWEZNQCLSA-N 0 3 312.335 3.253 20 10 DGCDHN CN(C)c1ccc(CN2CCNC3=CCCC[C@@H]32)c(Cl)c1 ZINC001237226832 1100040977 /nfs/dbraw/zinc/04/09/77/1100040977.db2.gz ZLZBBQBMROWMHF-KRWDZBQOSA-N 0 3 305.853 3.248 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](F)(CO)CC2)c1[O-] ZINC001237681246 1100211646 /nfs/dbraw/zinc/21/16/46/1100211646.db2.gz MBKIIIPZLDSLSW-OAHLLOKOSA-N 0 3 301.789 3.041 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@](F)(CO)CC2)c1[O-] ZINC001237681246 1100211650 /nfs/dbraw/zinc/21/16/50/1100211650.db2.gz MBKIIIPZLDSLSW-OAHLLOKOSA-N 0 3 301.789 3.041 20 10 DGCDHN CC[N@H+](Cc1cc(Br)c(C)cc1[O-])CC(C)(C)O ZINC001237682920 1100214090 /nfs/dbraw/zinc/21/40/90/1100214090.db2.gz UVQSSPRMSRBNDL-UHFFFAOYSA-N 0 3 316.239 3.056 20 10 DGCDHN CC[N@@H+](Cc1cc(Br)c(C)cc1[O-])CC(C)(C)O ZINC001237682920 1100214096 /nfs/dbraw/zinc/21/40/96/1100214096.db2.gz UVQSSPRMSRBNDL-UHFFFAOYSA-N 0 3 316.239 3.056 20 10 DGCDHN Cc1cc(F)cc(CN2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001238062930 1100345472 /nfs/dbraw/zinc/34/54/72/1100345472.db2.gz UVSLOOWMVMTJJH-GOSISDBHSA-N 0 3 314.404 3.328 20 10 DGCDHN Cc1cc(F)cc(CN2CCC(Oc3ccncc3)CC2)c1O ZINC001238059196 1100345643 /nfs/dbraw/zinc/34/56/43/1100345643.db2.gz AYDJKRFNYLQSKF-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN CCc1noc([C@H]2CCC[N@H+](Cc3cc(F)cc(C)c3[O-])C2)n1 ZINC001238070948 1100349796 /nfs/dbraw/zinc/34/97/96/1100349796.db2.gz QIWBOMBCUYGHIB-LBPRGKRZSA-N 0 3 319.380 3.165 20 10 DGCDHN CCc1noc([C@H]2CCC[N@@H+](Cc3cc(F)cc(C)c3[O-])C2)n1 ZINC001238070948 1100349806 /nfs/dbraw/zinc/34/98/06/1100349806.db2.gz QIWBOMBCUYGHIB-LBPRGKRZSA-N 0 3 319.380 3.165 20 10 DGCDHN CO[C@H](CNCc1cc(F)c(N(C)C)cc1F)C1CCCC1 ZINC001203241574 1101452251 /nfs/dbraw/zinc/45/22/51/1101452251.db2.gz AVJOVXHXLMXHEA-QGZVFWFLSA-N 0 3 312.404 3.326 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1ccccc1-n1cccn1)CC2 ZINC001137101012 1103979755 /nfs/dbraw/zinc/97/97/55/1103979755.db2.gz XDJZHICXAPTUBE-UHFFFAOYSA-N 0 3 305.381 3.136 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccccc1-n1cccn1)CC2 ZINC001137101012 1103979764 /nfs/dbraw/zinc/97/97/64/1103979764.db2.gz XDJZHICXAPTUBE-UHFFFAOYSA-N 0 3 305.381 3.136 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c([O-])c1 ZINC001330601647 1104589550 /nfs/dbraw/zinc/58/95/50/1104589550.db2.gz JLQURVQESIVHRO-GOSISDBHSA-N 0 3 324.424 3.095 20 10 DGCDHN CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001276139935 1105029001 /nfs/dbraw/zinc/02/90/01/1105029001.db2.gz JRZROCHEWXHXTG-QAPCUYQASA-N 0 3 308.425 3.195 20 10 DGCDHN CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001276139935 1105029004 /nfs/dbraw/zinc/02/90/04/1105029004.db2.gz JRZROCHEWXHXTG-QAPCUYQASA-N 0 3 308.425 3.195 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)ccc2O1 ZINC001249230276 1105251106 /nfs/dbraw/zinc/25/11/06/1105251106.db2.gz ALOIJDLBSJRHJV-CABCVRRESA-N 0 3 315.413 3.045 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)ccc2O1 ZINC001249230276 1105251111 /nfs/dbraw/zinc/25/11/11/1105251111.db2.gz ALOIJDLBSJRHJV-CABCVRRESA-N 0 3 315.413 3.045 20 10 DGCDHN CCO[C@@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249259042 1105258558 /nfs/dbraw/zinc/25/85/58/1105258558.db2.gz PQJXIKWJVZSLQD-CQSZACIVSA-N 0 3 303.402 3.187 20 10 DGCDHN CCO[C@@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249259042 1105258562 /nfs/dbraw/zinc/25/85/62/1105258562.db2.gz PQJXIKWJVZSLQD-CQSZACIVSA-N 0 3 303.402 3.187 20 10 DGCDHN CSCC[N@H+](C)Cc1cc(C)c(Br)cc1[O-] ZINC001250134033 1105451171 /nfs/dbraw/zinc/45/11/71/1105451171.db2.gz VZHAXVWXFYEHOR-UHFFFAOYSA-N 0 3 304.253 3.258 20 10 DGCDHN CSCC[N@@H+](C)Cc1cc(C)c(Br)cc1[O-] ZINC001250134033 1105451173 /nfs/dbraw/zinc/45/11/73/1105451173.db2.gz VZHAXVWXFYEHOR-UHFFFAOYSA-N 0 3 304.253 3.258 20 10 DGCDHN c1ccn(-c2ccc(-c3nnc(C45CCN(CC4)CC5)o3)cc2)c1 ZINC001256965850 1106517678 /nfs/dbraw/zinc/51/76/78/1106517678.db2.gz LIZOIAHXTHPRPT-UHFFFAOYSA-N 0 3 320.396 3.265 20 10 DGCDHN COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(O)c2[O-])cc1 ZINC001258392715 1106727695 /nfs/dbraw/zinc/72/76/95/1106727695.db2.gz DZJBGRXBEQAQHW-ZDUSSCGKSA-N 0 3 301.386 3.217 20 10 DGCDHN CC[C@@H](C)CC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001323435909 1107974026 /nfs/dbraw/zinc/97/40/26/1107974026.db2.gz QCWJTAUCUBKMAB-CQSZACIVSA-N 0 3 318.461 3.178 20 10 DGCDHN Cn1cc([C@@H](N[C@@H]2CCc3cccc(O)c32)c2ccccc2)cn1 ZINC001324601145 1108368762 /nfs/dbraw/zinc/36/87/62/1108368762.db2.gz HNFRJEYMBKUWKY-XLIONFOSSA-N 0 3 319.408 3.492 20 10 DGCDHN CCCOc1ccc(CNCc2cc(C)c[nH]c2=O)cc1C ZINC001308543929 1111440719 /nfs/dbraw/zinc/44/07/19/1111440719.db2.gz PAUPFFFJBXZZAS-UHFFFAOYSA-N 0 3 300.402 3.483 20 10 DGCDHN c1coc([C@H](CNCc2ccc3c(c2)CCO3)N2CCCC2)c1 ZINC000079249362 185162253 /nfs/dbraw/zinc/16/22/53/185162253.db2.gz JENBQDNMPLRKRR-KRWDZBQOSA-N 0 3 312.413 3.141 20 10 DGCDHN CN(C)CCOc1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000071701248 191009376 /nfs/dbraw/zinc/00/93/76/191009376.db2.gz CKBWSOVRHVRKBC-UHFFFAOYSA-N 0 3 313.445 3.305 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(Cc2ccccc2)CC1 ZINC000179560739 432062662 /nfs/dbraw/zinc/06/26/62/432062662.db2.gz JCHYJWVAPOJLBV-UHFFFAOYSA-N 0 3 310.441 3.489 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(Cc2ccccc2)CC1 ZINC000179560739 432062664 /nfs/dbraw/zinc/06/26/64/432062664.db2.gz JCHYJWVAPOJLBV-UHFFFAOYSA-N 0 3 310.441 3.489 20 10 DGCDHN C[C@@H](NCC1(C)OCCO1)c1ccc(N2CCCCC2)cc1 ZINC000179570861 432063266 /nfs/dbraw/zinc/06/32/66/432063266.db2.gz BJSJLCQKZVXPAH-OAHLLOKOSA-N 0 3 304.434 3.091 20 10 DGCDHN CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273431064 535418164 /nfs/dbraw/zinc/41/81/64/535418164.db2.gz VQRJNMMBPGWVIE-HNNXBMFYSA-N 0 3 306.450 3.308 20 10 DGCDHN CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268716627 432125500 /nfs/dbraw/zinc/12/55/00/432125500.db2.gz IUYOVVOHGCPEIQ-JKSUJKDBSA-N 0 3 317.477 3.242 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1[O-] ZINC000060358323 184146820 /nfs/dbraw/zinc/14/68/20/184146820.db2.gz MAFSQGCTRBRJPD-HNNXBMFYSA-N 0 3 321.804 3.268 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000179877837 533520225 /nfs/dbraw/zinc/52/02/25/533520225.db2.gz ZKLHYMDQEOGXBY-CRAIPNDOSA-N 0 3 324.424 3.234 20 10 DGCDHN COc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000176980293 533502165 /nfs/dbraw/zinc/50/21/65/533502165.db2.gz NBDPMYIIWRVZSX-GFCCVEGCSA-N 0 3 319.376 3.442 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)c1[O-] ZINC000272370592 130024196 /nfs/dbraw/zinc/02/41/96/130024196.db2.gz BNWFXNZRIGWSIQ-KDOFPFPSSA-N 0 3 321.417 3.002 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1[O-] ZINC000272875672 130071728 /nfs/dbraw/zinc/07/17/28/130071728.db2.gz PQGLMAMKLHAZHA-HNNXBMFYSA-N 0 3 312.413 3.080 20 10 DGCDHN CCOCc1cc(CN[C@@]2(C)CCO[C@H]2C2CC2)ccc1OC ZINC000273167530 130094937 /nfs/dbraw/zinc/09/49/37/130094937.db2.gz VFRKSPMSIJHTHJ-OALUTQOASA-N 0 3 319.445 3.279 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(F)ccc1[O-] ZINC000273418550 130119052 /nfs/dbraw/zinc/11/90/52/130119052.db2.gz IYWMACVZZCKONG-CJNGLKHVSA-N 0 3 303.377 3.176 20 10 DGCDHN Cc1ccc(O)c([C@H](C)NCc2cccc(C(=O)N(C)C)c2)c1 ZINC000273422092 130119450 /nfs/dbraw/zinc/11/94/50/130119450.db2.gz SKKKJDGVXDATCB-AWEZNQCLSA-N 0 3 312.413 3.253 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000273481196 130126088 /nfs/dbraw/zinc/12/60/88/130126088.db2.gz MBKJQBDLDFIWMX-MAUKXSAKSA-N 0 3 324.424 3.152 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c([O-])c1C ZINC000273570615 130138266 /nfs/dbraw/zinc/13/82/66/130138266.db2.gz KNELLEVKZBJYNB-HNNXBMFYSA-N 0 3 322.412 3.441 20 10 DGCDHN CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273598729 130142376 /nfs/dbraw/zinc/14/23/76/130142376.db2.gz RMTLYTGIJPSWSB-IUDNXUCKSA-N 0 3 304.434 3.107 20 10 DGCDHN COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273617229 130145385 /nfs/dbraw/zinc/14/53/85/130145385.db2.gz XRINLYZMHAMTPS-RDTXWAMCSA-N 0 3 315.413 3.402 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2(CCO)CCCC2)c1[O-] ZINC000273700812 130155464 /nfs/dbraw/zinc/15/54/64/130155464.db2.gz DBXNVEAGGCKUSJ-UHFFFAOYSA-N 0 3 313.825 3.087 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])[C@]12CCCO2 ZINC000274146227 130211002 /nfs/dbraw/zinc/21/10/02/130211002.db2.gz DSXYHJBVZXATLG-VIBAHUMZSA-N 0 3 305.418 3.078 20 10 DGCDHN CC[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccccc1[O-] ZINC000274954506 130276827 /nfs/dbraw/zinc/27/68/27/130276827.db2.gz VOFISAUIZNNCEW-QGZVFWFLSA-N 0 3 318.461 3.078 20 10 DGCDHN C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275300882 130303294 /nfs/dbraw/zinc/30/32/94/130303294.db2.gz QLWUCNARZNWHGD-PEBXRYMYSA-N 0 3 317.454 3.258 20 10 DGCDHN C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275300882 130303295 /nfs/dbraw/zinc/30/32/95/130303295.db2.gz QLWUCNARZNWHGD-PEBXRYMYSA-N 0 3 317.454 3.258 20 10 DGCDHN COCCCN(Cc1ccncc1)Cc1ccc(N(C)C)cc1 ZINC000289431399 131385304 /nfs/dbraw/zinc/38/53/04/131385304.db2.gz KUAFAPIMIYAXIO-UHFFFAOYSA-N 0 3 313.445 3.186 20 10 DGCDHN CCCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)c([O-])c1 ZINC000289507369 131391421 /nfs/dbraw/zinc/39/14/21/131391421.db2.gz UIUXCIGDNFEBRB-UHFFFAOYSA-N 0 3 317.385 3.185 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1C ZINC000291641636 131588055 /nfs/dbraw/zinc/58/80/55/131588055.db2.gz BOFWVGDUWGNZDS-QGZVFWFLSA-N 0 3 305.805 3.486 20 10 DGCDHN C[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1OCCc2sccc21 ZINC000291680332 131591594 /nfs/dbraw/zinc/59/15/94/131591594.db2.gz HPGZDZUANTUJAV-SGTLLEGYSA-N 0 3 315.438 3.475 20 10 DGCDHN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1[O-] ZINC000093688062 400251803 /nfs/dbraw/zinc/25/18/03/400251803.db2.gz VJVSVBYJBZFRSR-KRWDZBQOSA-N 0 3 315.413 3.174 20 10 DGCDHN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1[O-] ZINC000093688062 400251805 /nfs/dbraw/zinc/25/18/05/400251805.db2.gz VJVSVBYJBZFRSR-KRWDZBQOSA-N 0 3 315.413 3.174 20 10 DGCDHN CN(C)c1ccc(CNCc2ccnc(N3CCCC3)c2)cc1 ZINC000075761070 400609842 /nfs/dbraw/zinc/60/98/42/400609842.db2.gz XDDYPRMUTJJUSG-UHFFFAOYSA-N 0 3 310.445 3.038 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000269086279 432153682 /nfs/dbraw/zinc/15/36/82/432153682.db2.gz PMZQNXPOMUJZMW-GKCIPKSASA-N 0 3 310.441 3.452 20 10 DGCDHN Cc1ccncc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269673336 432195972 /nfs/dbraw/zinc/19/59/72/432195972.db2.gz YAVCCZBSLAWQPX-GOSISDBHSA-N 0 3 312.413 3.277 20 10 DGCDHN Cc1cc(Cl)cc(C[NH+]2CCC(n3cccn3)CC2)c1[O-] ZINC000360465299 229396820 /nfs/dbraw/zinc/39/68/20/229396820.db2.gz FHRCGDICCSMHQW-UHFFFAOYSA-N 0 3 305.809 3.388 20 10 DGCDHN CN(C)c1ccc(CN[C@H]2CN(C)Cc3ccccc32)cc1F ZINC000378276436 273821382 /nfs/dbraw/zinc/82/13/82/273821382.db2.gz ZBSLOIUOZOLHLE-SFHVURJKSA-N 0 3 313.420 3.168 20 10 DGCDHN CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccsc1 ZINC000295912024 276827233 /nfs/dbraw/zinc/82/72/33/276827233.db2.gz JFZFPAGGKSMWDZ-CABCVRRESA-N 0 3 302.443 3.334 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(NC(N)=O)cc1 ZINC000297581032 278375534 /nfs/dbraw/zinc/37/55/34/278375534.db2.gz HCXLWMASWJBAHC-IAQYHMDHSA-N 0 3 311.385 3.221 20 10 DGCDHN COc1cccc(CN(C)CCOc2ccc(F)cc2)c1O ZINC000121476489 431791973 /nfs/dbraw/zinc/79/19/73/431791973.db2.gz JTINNOQUOPKWPI-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)c([O-])c1 ZINC000093639403 431915575 /nfs/dbraw/zinc/91/55/75/431915575.db2.gz JFGBYZKUDBPBRK-YJBOKZPZSA-N 0 3 320.477 3.343 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)c([O-])c1 ZINC000093639403 431915578 /nfs/dbraw/zinc/91/55/78/431915578.db2.gz JFGBYZKUDBPBRK-YJBOKZPZSA-N 0 3 320.477 3.343 20 10 DGCDHN COc1ccc(O)c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000089726495 431876615 /nfs/dbraw/zinc/87/66/15/431876615.db2.gz HXPORVNVTXGLNT-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000183527591 432300550 /nfs/dbraw/zinc/30/05/50/432300550.db2.gz MDGMQPHCMHGIEY-WFASDCNBSA-N 0 3 320.433 3.346 20 10 DGCDHN O=C(NC1CCCCC1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000271250933 432362276 /nfs/dbraw/zinc/36/22/76/432362276.db2.gz FDMYUFSWTDLMOE-UHFFFAOYSA-N 0 3 316.445 3.053 20 10 DGCDHN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1n1ccnc1 ZINC000271265732 432364431 /nfs/dbraw/zinc/36/44/31/432364431.db2.gz LTOQGRRFMNFXFV-KSSFIOAISA-N 0 3 316.424 3.171 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1[O-] ZINC000192927299 432430588 /nfs/dbraw/zinc/43/05/88/432430588.db2.gz QPWZGIRNNVAHEI-GOSISDBHSA-N 0 3 310.441 3.312 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000192940822 432432975 /nfs/dbraw/zinc/43/29/75/432432975.db2.gz FSJUNPIHUIHQTM-DOMZBBRYSA-N 0 3 320.458 3.416 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000184862264 432441568 /nfs/dbraw/zinc/44/15/68/432441568.db2.gz PRJBVTZKDXMGRK-CYBMUJFWSA-N 0 3 324.424 3.221 20 10 DGCDHN COCc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000184941914 432447557 /nfs/dbraw/zinc/44/75/57/432447557.db2.gz JXNRIGZWBLJVDI-ZDUSSCGKSA-N 0 3 301.386 3.398 20 10 DGCDHN C[C@@](O)(C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1Cl ZINC000184960329 432449341 /nfs/dbraw/zinc/44/93/41/432449341.db2.gz XZOXHBMAIAWVOX-MRXNPFEDSA-N 0 3 309.768 3.182 20 10 DGCDHN C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000185027220 432457158 /nfs/dbraw/zinc/45/71/58/432457158.db2.gz YMSBKQLRJFADDE-JTQLQIEISA-N 0 3 308.319 3.066 20 10 DGCDHN COc1ccc(O)c(CN(C)C[C@H]2OCCc3ccccc32)c1 ZINC000271734300 432421988 /nfs/dbraw/zinc/42/19/88/432421988.db2.gz OCQINZMNEGMYJD-LJQANCHMSA-N 0 3 313.397 3.147 20 10 DGCDHN COc1ccc(O)c(CN(C)Cc2cc(OC)cc(OC)c2)c1 ZINC000271719862 432422190 /nfs/dbraw/zinc/42/21/90/432422190.db2.gz JOFWOGFVGSNLBZ-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CSC)c1[O-] ZINC000184700083 432422818 /nfs/dbraw/zinc/42/28/18/432422818.db2.gz BMNSDGJQFSFNBQ-LBPRGKRZSA-N 0 3 301.839 3.382 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CSC)c1[O-] ZINC000184700083 432422820 /nfs/dbraw/zinc/42/28/20/432422820.db2.gz BMNSDGJQFSFNBQ-LBPRGKRZSA-N 0 3 301.839 3.382 20 10 DGCDHN COc1cccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N(C)C)c1 ZINC000192865332 432423429 /nfs/dbraw/zinc/42/34/29/432423429.db2.gz WWAOJVLAYLKEOP-RDTXWAMCSA-N 0 3 314.429 3.354 20 10 DGCDHN CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185215426 432479268 /nfs/dbraw/zinc/47/92/68/432479268.db2.gz UUPGXOPUTBSEOK-ZDUSSCGKSA-N 0 3 322.424 3.219 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1 ZINC000185251449 432483319 /nfs/dbraw/zinc/48/33/19/432483319.db2.gz RHPCTCZVFSHGOQ-OAHLLOKOSA-N 0 3 304.434 3.144 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000185291508 432487353 /nfs/dbraw/zinc/48/73/53/432487353.db2.gz OXZRJDPAWXTCBX-LBPRGKRZSA-N 0 3 316.367 3.378 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000185468448 432503603 /nfs/dbraw/zinc/50/36/03/432503603.db2.gz RFLODBQJAXSQFW-SOZUMNATSA-N 0 3 319.376 3.313 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1 ZINC000185518730 432506729 /nfs/dbraw/zinc/50/67/29/432506729.db2.gz TXMHIYXEHQYBGQ-BZNIZROVSA-N 0 3 307.415 3.021 20 10 DGCDHN CC[C@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000193911797 432508280 /nfs/dbraw/zinc/50/82/80/432508280.db2.gz GJZYSXLPRHYIEC-KRWDZBQOSA-N 0 3 312.413 3.171 20 10 DGCDHN Cc1ccc(O)c([C@H](C)NCC(=O)N(C)Cc2ccccc2)c1 ZINC000185079159 432463885 /nfs/dbraw/zinc/46/38/85/432463885.db2.gz WXQRXZMMBDIWTC-HNNXBMFYSA-N 0 3 312.413 3.010 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c([O-])c1 ZINC000185813089 432535571 /nfs/dbraw/zinc/53/55/71/432535571.db2.gz PCDJLYRPXNXEBR-YOEHRIQHSA-N 0 3 310.397 3.157 20 10 DGCDHN CC[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccccc1[O-] ZINC000155256548 432546159 /nfs/dbraw/zinc/54/61/59/432546159.db2.gz NGVVHAJFGRHFGU-INIZCTEOSA-N 0 3 316.376 3.002 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186354985 432586595 /nfs/dbraw/zinc/58/65/95/432586595.db2.gz WZEHTVZGWQUYOY-KYABYICQSA-N 0 3 317.429 3.399 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1C ZINC000273467230 432601746 /nfs/dbraw/zinc/60/17/46/432601746.db2.gz FAZRCQDNZUEZJI-HRCADAONSA-N 0 3 318.461 3.307 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc(Br)ccc1[O-] ZINC000273466077 432602255 /nfs/dbraw/zinc/60/22/55/432602255.db2.gz DSVSUGPATZEJIS-WDEREUQCSA-N 0 3 315.255 3.146 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCCc2nccs2)c1[O-] ZINC000273792750 432631073 /nfs/dbraw/zinc/63/10/73/432631073.db2.gz VRMHIOZCPTYQSK-UHFFFAOYSA-N 0 3 312.822 3.233 20 10 DGCDHN C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000187904764 432692222 /nfs/dbraw/zinc/69/22/22/432692222.db2.gz KZCGWMMDDDTUOU-FZKQIMNGSA-N 0 3 303.377 3.480 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1OC ZINC000160035162 432704901 /nfs/dbraw/zinc/70/49/01/432704901.db2.gz WEWKLHCZIDRSOB-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1OC ZINC000160035162 432704903 /nfs/dbraw/zinc/70/49/03/432704903.db2.gz WEWKLHCZIDRSOB-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccccc1[O-] ZINC000274910467 432718292 /nfs/dbraw/zinc/71/82/92/432718292.db2.gz MYOVOCUHIHXTKC-GOSISDBHSA-N 0 3 322.412 3.273 20 10 DGCDHN COc1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC000228668622 432719126 /nfs/dbraw/zinc/71/91/26/432719126.db2.gz LUZIWZKXUQCHCQ-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1 ZINC000265967145 432749557 /nfs/dbraw/zinc/74/95/57/432749557.db2.gz KBFKYQSIEFDKGH-QGZVFWFLSA-N 0 3 302.418 3.257 20 10 DGCDHN COc1cccc(CNCc2ccccc2OC(F)F)c1O ZINC000237224995 432782455 /nfs/dbraw/zinc/78/24/55/432782455.db2.gz RNSKFRIIJYRVMF-UHFFFAOYSA-N 0 3 309.312 3.292 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCCCC3)O1)OCO2 ZINC000276594647 432820723 /nfs/dbraw/zinc/82/07/23/432820723.db2.gz FCMVIRVYLDTXHT-AWEZNQCLSA-N 0 3 319.401 3.092 20 10 DGCDHN CO[C@@H](C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000276981558 432827618 /nfs/dbraw/zinc/82/76/18/432827618.db2.gz WAJSFKAUMJJHSZ-VHSXEESVSA-N 0 3 302.212 3.149 20 10 DGCDHN C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(F)ccc1[O-] ZINC000278186038 432890062 /nfs/dbraw/zinc/89/00/62/432890062.db2.gz BVQQTYFKWQWAHE-MRVPVSSYSA-N 0 3 313.266 3.099 20 10 DGCDHN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(C)c(C)cc2O)n[nH]1 ZINC000277469724 432852783 /nfs/dbraw/zinc/85/27/83/432852783.db2.gz RJIOPGFPZOLFKN-ZWNOBZJWSA-N 0 3 302.422 3.491 20 10 DGCDHN C[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296653905 432924465 /nfs/dbraw/zinc/92/44/65/432924465.db2.gz ZDGRODORQQOAHB-KBPBESRZSA-N 0 3 304.434 3.067 20 10 DGCDHN C[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296653905 432924468 /nfs/dbraw/zinc/92/44/68/432924468.db2.gz ZDGRODORQQOAHB-KBPBESRZSA-N 0 3 304.434 3.067 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)CC2 ZINC000296851384 432931691 /nfs/dbraw/zinc/93/16/91/432931691.db2.gz NFZJJSOQHUWQIS-DZGCQCFKSA-N 0 3 321.779 3.495 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@@H](C)O)c1[O-] ZINC000279222864 432947207 /nfs/dbraw/zinc/94/72/07/432947207.db2.gz ZCPPEZBLFFJMQR-GHMZBOCLSA-N 0 3 316.239 3.275 20 10 DGCDHN CCn1nccc1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000279450669 432969394 /nfs/dbraw/zinc/96/93/94/432969394.db2.gz QDIPMFFDVWOHMD-UHFFFAOYSA-N 0 3 303.381 3.127 20 10 DGCDHN CN(C)c1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289641113 432971507 /nfs/dbraw/zinc/97/15/07/432971507.db2.gz SMSMROOPPZMUEQ-MSOLQXFVSA-N 0 3 300.446 3.286 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000289640985 432971612 /nfs/dbraw/zinc/97/16/12/432971612.db2.gz MIIGBJPSMFIQKJ-UHFFFAOYSA-N 0 3 323.396 3.425 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000289640985 432971618 /nfs/dbraw/zinc/97/16/18/432971618.db2.gz MIIGBJPSMFIQKJ-UHFFFAOYSA-N 0 3 323.396 3.425 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000289814578 432974247 /nfs/dbraw/zinc/97/42/47/432974247.db2.gz SZPQCVHWADAXMK-HOCLYGCPSA-N 0 3 307.434 3.306 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000289814578 432974251 /nfs/dbraw/zinc/97/42/51/432974251.db2.gz SZPQCVHWADAXMK-HOCLYGCPSA-N 0 3 307.434 3.306 20 10 DGCDHN C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000289969047 432980914 /nfs/dbraw/zinc/98/09/14/432980914.db2.gz XGLRUNBHYQIFHB-ZDUSSCGKSA-N 0 3 308.422 3.175 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC3(CC(OCC)C3)C2)c1[O-] ZINC000289972855 432981016 /nfs/dbraw/zinc/98/10/16/432981016.db2.gz ZMKSCRAWRLXYGD-UHFFFAOYSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC3(CC(OCC)C3)C2)c1[O-] ZINC000289972855 432981020 /nfs/dbraw/zinc/98/10/20/432981020.db2.gz ZMKSCRAWRLXYGD-UHFFFAOYSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2COc3ccccc32)c1[O-] ZINC000290071076 432987923 /nfs/dbraw/zinc/98/79/23/432987923.db2.gz FWGLLSUOKNHFFL-GFCCVEGCSA-N 0 3 319.788 3.320 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280048445 433001217 /nfs/dbraw/zinc/00/12/17/433001217.db2.gz JKUUSQJABUWPSY-IEBWSBKVSA-N 0 3 315.413 3.484 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)Cc1c[nH]c3ccccc13)CC2 ZINC000297671384 433005770 /nfs/dbraw/zinc/00/57/70/433005770.db2.gz LAFNGMONCPICRZ-YJBOKZPZSA-N 0 3 322.408 3.054 20 10 DGCDHN CCOc1cccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000290402334 433045533 /nfs/dbraw/zinc/04/55/33/433045533.db2.gz JNURCGBQFVWAEI-HNNXBMFYSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000290402334 433045537 /nfs/dbraw/zinc/04/55/37/433045537.db2.gz JNURCGBQFVWAEI-HNNXBMFYSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000290402334 433045539 /nfs/dbraw/zinc/04/55/39/433045539.db2.gz JNURCGBQFVWAEI-HNNXBMFYSA-N 0 3 315.417 3.468 20 10 DGCDHN COc1cccc(CN(C)Cc2ccccc2N(C)C)c1O ZINC000290234165 433018891 /nfs/dbraw/zinc/01/88/91/433018891.db2.gz TYBRUDQDIVPXKQ-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1[O-] ZINC000290301375 433029335 /nfs/dbraw/zinc/02/93/35/433029335.db2.gz BHOFAPFJPDXNKK-INIZCTEOSA-N 0 3 313.825 3.181 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@]2(C)CCCO)c1[O-] ZINC000290301375 433029337 /nfs/dbraw/zinc/02/93/37/433029337.db2.gz BHOFAPFJPDXNKK-INIZCTEOSA-N 0 3 313.825 3.181 20 10 DGCDHN COc1ccc(O)c(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000290387328 433042362 /nfs/dbraw/zinc/04/23/62/433042362.db2.gz INHAIHAGXHRWBM-OAHLLOKOSA-N 0 3 301.390 3.078 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000290387328 433042365 /nfs/dbraw/zinc/04/23/65/433042365.db2.gz INHAIHAGXHRWBM-OAHLLOKOSA-N 0 3 301.390 3.078 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000290387328 433042368 /nfs/dbraw/zinc/04/23/68/433042368.db2.gz INHAIHAGXHRWBM-OAHLLOKOSA-N 0 3 301.390 3.078 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1F ZINC000373227184 433133516 /nfs/dbraw/zinc/13/35/16/433133516.db2.gz JHVMTPZSOZXKED-OAHLLOKOSA-N 0 3 316.424 3.005 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1OC ZINC000280775498 433170587 /nfs/dbraw/zinc/17/05/87/433170587.db2.gz PEWIKIGJALVVMV-KOMQPUFPSA-N 0 3 313.397 3.445 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000374282376 433182393 /nfs/dbraw/zinc/18/23/93/433182393.db2.gz DWGOUFCACHYQEZ-UHFFFAOYSA-N 0 3 300.377 3.244 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000374282376 433182402 /nfs/dbraw/zinc/18/24/02/433182402.db2.gz DWGOUFCACHYQEZ-UHFFFAOYSA-N 0 3 300.377 3.244 20 10 DGCDHN CCOc1cccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000290997443 433216431 /nfs/dbraw/zinc/21/64/31/433216431.db2.gz APVCVKMNYHFJHF-NVXWUHKLSA-N 0 3 305.418 3.180 20 10 DGCDHN c1cnn([C@@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC000291365114 433233937 /nfs/dbraw/zinc/23/39/37/433233937.db2.gz YTRBKZALIAPNHB-LJQANCHMSA-N 0 3 310.445 3.320 20 10 DGCDHN C[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])OCCc2sccc21 ZINC000291528367 433260431 /nfs/dbraw/zinc/26/04/31/433260431.db2.gz JVAIGNDHANISEA-INIZCTEOSA-N 0 3 307.390 3.171 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCCCC(F)(F)C1)OCO2 ZINC000291669243 433305741 /nfs/dbraw/zinc/30/57/41/433305741.db2.gz GCOFHDZXGFPMAO-LLVKDONJSA-N 0 3 313.344 3.426 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1OCCc2sccc21 ZINC000292695956 433587570 /nfs/dbraw/zinc/58/75/70/433587570.db2.gz BTVQPWWLCWKPCQ-QLJPJBMISA-N 0 3 307.390 3.385 20 10 DGCDHN CCCC[N@H+](CCCc1nc(C)no1)Cc1ccccc1[O-] ZINC000282564134 433620596 /nfs/dbraw/zinc/62/05/96/433620596.db2.gz YSTKNRGJSRVTIW-UHFFFAOYSA-N 0 3 303.406 3.319 20 10 DGCDHN CCCC[N@@H+](CCCc1nc(C)no1)Cc1ccccc1[O-] ZINC000282564134 433620601 /nfs/dbraw/zinc/62/06/01/433620601.db2.gz YSTKNRGJSRVTIW-UHFFFAOYSA-N 0 3 303.406 3.319 20 10 DGCDHN Cc1ccc([O-])c(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293998966 433958007 /nfs/dbraw/zinc/95/80/07/433958007.db2.gz SQEHUNNJXHWFCT-UHFFFAOYSA-N 0 3 311.425 3.227 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c([O-])c1 ZINC000294786297 434144557 /nfs/dbraw/zinc/14/45/57/434144557.db2.gz OBHXNXZNSAMBCB-PBHICJAKSA-N 0 3 308.491 3.097 20 10 DGCDHN COc1cc(Cl)cc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1[O-] ZINC000363927172 434189276 /nfs/dbraw/zinc/18/92/76/434189276.db2.gz NTUBOXAVSBCLQI-UHFFFAOYSA-N 0 3 321.808 3.157 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000364068498 434222965 /nfs/dbraw/zinc/22/29/65/434222965.db2.gz SQHBRQOVTNJMOE-ROUUACIJSA-N 0 3 305.418 3.086 20 10 DGCDHN C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1[O-] ZINC000287275631 434319020 /nfs/dbraw/zinc/31/90/20/434319020.db2.gz JGKXIEPPDUHYJE-NSHDSACASA-N 0 3 324.222 3.092 20 10 DGCDHN O=C1CCCN1c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295933542 434443511 /nfs/dbraw/zinc/44/35/11/434443511.db2.gz KKWSPTPARZSEHW-QGZVFWFLSA-N 0 3 322.408 3.296 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN(Cc3ccncc3)CC1)CC2 ZINC000296123259 434515250 /nfs/dbraw/zinc/51/52/50/434515250.db2.gz VLIQDSRVMCTMRK-SFHVURJKSA-N 0 3 323.440 3.029 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000367687363 434554520 /nfs/dbraw/zinc/55/45/20/434554520.db2.gz QJOVPEISUHOHCS-HUUCEWRRSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000367687363 434554528 /nfs/dbraw/zinc/55/45/28/434554528.db2.gz QJOVPEISUHOHCS-HUUCEWRRSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185826700 295211397 /nfs/dbraw/zinc/21/13/97/295211397.db2.gz VNABEYRIMMENOO-KBXCAEBGSA-N 0 3 315.413 3.484 20 10 DGCDHN CN(C)c1ccc(CNCc2ccccc2-c2cnn(C)c2)cc1 ZINC000372863529 434858662 /nfs/dbraw/zinc/85/86/62/434858662.db2.gz OUEIIJXVFYKDGW-UHFFFAOYSA-N 0 3 320.440 3.443 20 10 DGCDHN COc1cccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])OC)c1 ZINC000527920592 435017281 /nfs/dbraw/zinc/01/72/81/435017281.db2.gz NYSBLEYQLMETAZ-ACJLOTCBSA-N 0 3 301.386 3.439 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c([O-])c1 ZINC000105442769 332251967 /nfs/dbraw/zinc/25/19/67/332251967.db2.gz SKMGNUOMQXZUPW-CQSZACIVSA-N 0 3 317.433 3.112 20 10 DGCDHN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000289846551 334168660 /nfs/dbraw/zinc/16/86/60/334168660.db2.gz QEWVNDGLWGECRD-SOVGHPHASA-N 0 3 315.388 3.348 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000360039886 337084140 /nfs/dbraw/zinc/08/41/40/337084140.db2.gz ZNXGKPKSHDSFOD-USXIJHARSA-N 0 3 305.418 3.084 20 10 DGCDHN COc1cccc([C@H](C[NH2+]Cc2cccc(C)c2[O-])OC)c1 ZINC000529639277 340765990 /nfs/dbraw/zinc/76/59/90/340765990.db2.gz PSLJZGSNIQSYEV-KRWDZBQOSA-N 0 3 301.386 3.187 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]Cc2cccnc2C)c1[O-] ZINC000529663607 340766992 /nfs/dbraw/zinc/76/69/92/340766992.db2.gz YAKURRVTAGREDA-UHFFFAOYSA-N 0 3 321.218 3.456 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000295115638 534197824 /nfs/dbraw/zinc/19/78/24/534197824.db2.gz MJVWNZPZUCIHOM-AWEZNQCLSA-N 0 3 322.449 3.484 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000179828046 534198800 /nfs/dbraw/zinc/19/88/00/534198800.db2.gz JBPZUISZSFCCRR-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000179828046 534198804 /nfs/dbraw/zinc/19/88/04/534198804.db2.gz JBPZUISZSFCCRR-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000228792322 518807378 /nfs/dbraw/zinc/80/73/78/518807378.db2.gz GDBQDKWCAVCTES-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000180393936 534453673 /nfs/dbraw/zinc/45/36/73/534453673.db2.gz MYHWBGJCJACSBH-OAHLLOKOSA-N 0 3 304.365 3.051 20 10 DGCDHN CCOC(=O)[C@@](C)(C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000191640048 521146379 /nfs/dbraw/zinc/14/63/79/521146379.db2.gz JKMZWWPIPHJMPF-IBGZPJMESA-N 0 3 313.397 3.003 20 10 DGCDHN CC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(CC)CC ZINC000265408214 521850109 /nfs/dbraw/zinc/85/01/09/521850109.db2.gz CSCYGKUHSCSOSU-SFHVURJKSA-N 0 3 317.477 3.023 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(C)cc1[O-] ZINC000368446517 522759340 /nfs/dbraw/zinc/75/93/40/522759340.db2.gz KYZSEFLXRUWGDU-QILLFSRXSA-N 0 3 305.418 3.079 20 10 DGCDHN COc1cc(O)c(CN(C)[C@H](C)c2cccc(O)c2)cc1OC ZINC000180178874 522774437 /nfs/dbraw/zinc/77/44/37/522774437.db2.gz PUGQCSGMZPFMGI-GFCCVEGCSA-N 0 3 317.385 3.308 20 10 DGCDHN Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000189092505 524466186 /nfs/dbraw/zinc/46/61/86/524466186.db2.gz SLRHPKGNINZSNN-MAUKXSAKSA-N 0 3 324.424 3.152 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOc2cccc(F)c2)c1 ZINC000182366096 524764147 /nfs/dbraw/zinc/76/41/47/524764147.db2.gz MCDGARNMIWQNLE-GFCCVEGCSA-N 0 3 305.349 3.270 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c1 ZINC000188680918 524764232 /nfs/dbraw/zinc/76/42/32/524764232.db2.gz WZXCZZLFQOGMTB-ACJLOTCBSA-N 0 3 307.434 3.383 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000182432538 524771148 /nfs/dbraw/zinc/77/11/48/524771148.db2.gz QPBYCWMCBBYJAA-STQMWFEESA-N 0 3 314.385 3.079 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1C ZINC000157777029 525322846 /nfs/dbraw/zinc/32/28/46/525322846.db2.gz IYCCIGLOFQSXAZ-SFHVURJKSA-N 0 3 303.377 3.145 20 10 DGCDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000154873615 525339952 /nfs/dbraw/zinc/33/99/52/525339952.db2.gz OMKRYBYHPRFAEN-UHFFFAOYSA-N 0 3 320.433 3.190 20 10 DGCDHN COc1ccc([C@H]2CC[N@H+](Cc3cc(OC)ccc3[O-])C2)cc1 ZINC000179955234 525420644 /nfs/dbraw/zinc/42/06/44/525420644.db2.gz SRTVJXBDSUZIAD-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc([C@H]2CC[N@@H+](Cc3cc(OC)ccc3[O-])C2)cc1 ZINC000179955234 525420649 /nfs/dbraw/zinc/42/06/49/525420649.db2.gz SRTVJXBDSUZIAD-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])[C@@]12CCCO2 ZINC000285394045 535512663 /nfs/dbraw/zinc/51/26/63/535512663.db2.gz WVUFQYIHZVLISX-RMRDIRSESA-N 0 3 319.445 3.386 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])[C@]12CCCO2 ZINC000274274096 535513096 /nfs/dbraw/zinc/51/30/96/535513096.db2.gz XDURTXNIISQXKK-VIBAHUMZSA-N 0 3 305.418 3.078 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c1 ZINC000288480232 535752936 /nfs/dbraw/zinc/75/29/36/535752936.db2.gz GKJWJBQAHMQURH-ACJLOTCBSA-N 0 3 301.386 3.003 20 10 DGCDHN C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732285833 574570904 /nfs/dbraw/zinc/57/09/04/574570904.db2.gz JBSLWLZXWVSDTH-LBPRGKRZSA-N 0 3 318.442 3.313 20 10 DGCDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733806635 574639075 /nfs/dbraw/zinc/63/90/75/574639075.db2.gz GMTDNZZYXNRQRA-KBPBESRZSA-N 0 3 322.474 3.180 20 10 DGCDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733806635 574639076 /nfs/dbraw/zinc/63/90/76/574639076.db2.gz GMTDNZZYXNRQRA-KBPBESRZSA-N 0 3 322.474 3.180 20 10 DGCDHN Cc1cc(O)c(CNCC(=O)Nc2ccc(F)c(F)c2)cc1C ZINC000742366337 574992595 /nfs/dbraw/zinc/99/25/95/574992595.db2.gz WQHWYLLWRVYFJS-UHFFFAOYSA-N 0 3 320.339 3.016 20 10 DGCDHN Cc1ncsc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000742368546 574992954 /nfs/dbraw/zinc/99/29/54/574992954.db2.gz CGYXEYMNSOGHAX-ZDUSSCGKSA-N 0 3 317.458 3.139 20 10 DGCDHN C[C@@H]1CCN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000744450211 575343954 /nfs/dbraw/zinc/34/39/54/575343954.db2.gz WNCAQIIFVZGKFR-MRXNPFEDSA-N 0 3 310.441 3.491 20 10 DGCDHN CCOc1ccc(O)c(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000748246860 575575065 /nfs/dbraw/zinc/57/50/65/575575065.db2.gz QHBHWZDGLJCSDB-QGZVFWFLSA-N 0 3 317.433 3.401 20 10 DGCDHN CCCN(CC(=O)NC1CCCCCC1)Cc1ccccc1O ZINC000750874948 575757122 /nfs/dbraw/zinc/75/71/22/575757122.db2.gz JWGZYERKRJGFBG-UHFFFAOYSA-N 0 3 318.461 3.443 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1[O-] ZINC000752264444 575829511 /nfs/dbraw/zinc/82/95/11/575829511.db2.gz DLZPWGNGITXKRC-VLXJIEOASA-N 0 3 313.397 3.444 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@H](c1cccs1)C1CC1)OCO2 ZINC000725843939 575927235 /nfs/dbraw/zinc/92/72/35/575927235.db2.gz HZQZAMJBMFMRSU-INIZCTEOSA-N 0 3 303.383 3.423 20 10 DGCDHN Oc1cc2c(cc1CNC1(c3ccc(F)cc3)CCC1)OCO2 ZINC000726606110 576032587 /nfs/dbraw/zinc/03/25/87/576032587.db2.gz UKRHWDULPSOCLG-UHFFFAOYSA-N 0 3 315.344 3.429 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3)CCC1)OCO2 ZINC000726606110 576032589 /nfs/dbraw/zinc/03/25/89/576032589.db2.gz UKRHWDULPSOCLG-UHFFFAOYSA-N 0 3 315.344 3.429 20 10 DGCDHN CN1CCCc2cc(CNC[C@@H](O)c3cccc(F)c3)ccc21 ZINC000727645087 576136039 /nfs/dbraw/zinc/13/60/39/576136039.db2.gz YHBXBMKMVMVARY-LJQANCHMSA-N 0 3 314.404 3.031 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCCF)c1[O-] ZINC000853238324 620681056 /nfs/dbraw/zinc/68/10/56/620681056.db2.gz GHCKVAWIWSZJCN-SNVBAGLBSA-N 0 3 320.202 3.100 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242054 620681312 /nfs/dbraw/zinc/68/13/12/620681312.db2.gz ZUPRWVGLYZETHW-GXTWGEPZSA-N 0 3 324.415 3.443 20 10 DGCDHN Oc1ccccc1CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000033656546 620732017 /nfs/dbraw/zinc/73/20/17/620732017.db2.gz LGVQHNODQDQPFX-TWGQIWQCSA-N 0 3 308.425 3.223 20 10 DGCDHN CN(C)c1ccc([C@H](CNC(=O)CC2CCCC2)N(C)C)cc1 ZINC000891257094 617761038 /nfs/dbraw/zinc/76/10/38/617761038.db2.gz CIEDJBKQYRQECR-SFHVURJKSA-N 0 3 317.477 3.052 20 10 DGCDHN COc1ccc(CN2CCCc3sccc3C2)c(O)c1OC ZINC000892005513 617943532 /nfs/dbraw/zinc/94/35/32/617943532.db2.gz WJYFAZSBOLJARK-UHFFFAOYSA-N 0 3 319.426 3.419 20 10 DGCDHN COc1ccccc1[C@@H](C)NCc1ccc(OC)c(OC)c1O ZINC000892410652 618059872 /nfs/dbraw/zinc/05/98/72/618059872.db2.gz SSCMDLQUICMCPO-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN Nc1cc(NCCCSc2nccs2)c(Cl)cn1 ZINC000892515277 618094841 /nfs/dbraw/zinc/09/48/41/618094841.db2.gz LBUOLOJYGUPWSS-UHFFFAOYSA-N 0 3 300.840 3.368 20 10 DGCDHN CC[C@H](C)c1nc([C@@H](C)NCc2cc(C)cc(OC)c2O)n[nH]1 ZINC000894554916 618384490 /nfs/dbraw/zinc/38/44/90/618384490.db2.gz BPFVCVRBZZSHNF-NWDGAFQWSA-N 0 3 318.421 3.192 20 10 DGCDHN CC[C@H](NCc1ccc(OC)c(OC)c1O)c1c(C)noc1C ZINC000893239201 618484284 /nfs/dbraw/zinc/48/42/84/618484284.db2.gz QWCAOEKPYHDGDU-ZDUSSCGKSA-N 0 3 320.389 3.255 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000840910577 618524117 /nfs/dbraw/zinc/52/41/17/618524117.db2.gz JRIMJGRNSMSPDE-CQSZACIVSA-N 0 3 308.853 3.414 20 10 DGCDHN C[C@@H](NCc1cn2ccnc2s1)c1ccc(N(C)C)cc1 ZINC000893684188 618638483 /nfs/dbraw/zinc/63/84/83/618638483.db2.gz OZNFRSWWRPOSFR-GFCCVEGCSA-N 0 3 300.431 3.313 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ncc(Cl)n1C ZINC000840975162 618651407 /nfs/dbraw/zinc/65/14/07/618651407.db2.gz DFQWMXVJESZAKW-CYBMUJFWSA-N 0 3 320.868 3.169 20 10 DGCDHN CCc1cccc(CN2CC[C@](OC)(C(F)(F)F)C2)c1O ZINC000895572200 618800240 /nfs/dbraw/zinc/80/02/40/618800240.db2.gz BYSYYUIPSOEWPB-CQSZACIVSA-N 0 3 303.324 3.108 20 10 DGCDHN C[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000895639821 618811292 /nfs/dbraw/zinc/81/12/92/618811292.db2.gz PBTODFUYKGVVBN-SFHVURJKSA-N 0 3 301.361 3.109 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896534111 618926008 /nfs/dbraw/zinc/92/60/08/618926008.db2.gz GKPGNWAYFATMMP-LBPRGKRZSA-N 0 3 306.406 3.443 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896534111 618926010 /nfs/dbraw/zinc/92/60/10/618926010.db2.gz GKPGNWAYFATMMP-LBPRGKRZSA-N 0 3 306.406 3.443 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896811959 618963018 /nfs/dbraw/zinc/96/30/18/618963018.db2.gz QRKHRAJLMNJILW-AAEUAGOBSA-N 0 3 307.287 3.121 20 10 DGCDHN CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1c(C)cccc1[O-] ZINC000897524068 619145504 /nfs/dbraw/zinc/14/55/04/619145504.db2.gz QNEGZNQQZNRGFR-AWEZNQCLSA-N 0 3 305.340 3.274 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC1(C)CCC2(CC1)OCCO2 ZINC000897714765 619175703 /nfs/dbraw/zinc/17/57/03/619175703.db2.gz BMZUGBJKPFQCCR-UHFFFAOYSA-N 0 3 305.418 3.114 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)c([O-])c1 ZINC000897729720 619179547 /nfs/dbraw/zinc/17/95/47/619179547.db2.gz YHZYJJVECTXTID-QGZVFWFLSA-N 0 3 305.418 3.372 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC000926914751 619248325 /nfs/dbraw/zinc/24/83/25/619248325.db2.gz JAZJYSNJDPWIOL-SCRDCRAPSA-N 0 3 315.335 3.469 20 10 DGCDHN C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000926962119 619252916 /nfs/dbraw/zinc/25/29/16/619252916.db2.gz KBTWZBKQNRCCMO-NOZJJQNGSA-N 0 3 308.319 3.065 20 10 DGCDHN CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)n1 ZINC000927050915 619260440 /nfs/dbraw/zinc/26/04/40/619260440.db2.gz VSGSEMHXCOOTQY-XQQFMLRXSA-N 0 3 301.390 3.325 20 10 DGCDHN COc1cccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000898516208 619283185 /nfs/dbraw/zinc/28/31/85/619283185.db2.gz NZAZILZDBKMSMR-GDBMZVCRSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000898516208 619283186 /nfs/dbraw/zinc/28/31/86/619283186.db2.gz NZAZILZDBKMSMR-GDBMZVCRSA-N 0 3 305.418 3.039 20 10 DGCDHN CC[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccccc1[O-] ZINC000903308616 619757106 /nfs/dbraw/zinc/75/71/06/619757106.db2.gz JUHOJOPPLFIOBH-WMZOPIPTSA-N 0 3 303.377 3.480 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccc(C)cc1[O-] ZINC000903357570 619764693 /nfs/dbraw/zinc/76/46/93/619764693.db2.gz NUDONISHGNSPBC-AEFFLSMTSA-N 0 3 307.434 3.325 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)c2c1c(F)ccc2[O-] ZINC000903441154 619775924 /nfs/dbraw/zinc/77/59/24/619775924.db2.gz YGNKJFQXSIWOHS-NYGAIPDWSA-N 0 3 313.372 3.328 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1ccc(C)cc1[O-] ZINC000903449746 619778542 /nfs/dbraw/zinc/77/85/42/619778542.db2.gz BKNFHYPTVYEAJQ-LZWOXQAQSA-N 0 3 305.418 3.473 20 10 DGCDHN Cc1cc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000903449644 619778672 /nfs/dbraw/zinc/77/86/72/619778672.db2.gz YYANMBCZEXWNKR-RDTXWAMCSA-N 0 3 316.449 3.003 20 10 DGCDHN CC[C@@](O)(CNCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000905034454 619965522 /nfs/dbraw/zinc/96/55/22/619965522.db2.gz KDHXOQLVJIWRIY-OAHLLOKOSA-N 0 3 316.367 3.080 20 10 DGCDHN CC[C@H]1COCCN1Cc1c(O)ccc2ccc(OC)cc21 ZINC000151898532 620480168 /nfs/dbraw/zinc/48/01/68/620480168.db2.gz MPGLBOHASHYNDF-AWEZNQCLSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1cc(CN2CCCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000754739469 620578186 /nfs/dbraw/zinc/57/81/86/620578186.db2.gz CCXXLOPEPFOHDP-CYBMUJFWSA-N 0 3 307.434 3.309 20 10 DGCDHN COc1ccc(N2CCCN(Cc3ccc(C)nc3)CC2)cc1 ZINC000153787239 620606717 /nfs/dbraw/zinc/60/67/17/620606717.db2.gz HFHCFRAATNXRBU-UHFFFAOYSA-N 0 3 311.429 3.111 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCc1ccccc1OC(F)F ZINC000788076583 620899821 /nfs/dbraw/zinc/89/98/21/620899821.db2.gz OXPAELWJTXWUOE-UHFFFAOYSA-N 0 3 323.339 3.335 20 10 DGCDHN c1cnn(-c2ccccc2CNCc2ccc3c(c2)CCCO3)c1 ZINC000921619235 620915559 /nfs/dbraw/zinc/91/55/59/620915559.db2.gz NRPABWUFVVDAHF-UHFFFAOYSA-N 0 3 319.408 3.487 20 10 DGCDHN CN1CCCc2cc(CNCc3cnn(CC4CCC4)c3)ccc21 ZINC000921625958 620917673 /nfs/dbraw/zinc/91/76/73/620917673.db2.gz TVDJXOHGHNSJJQ-UHFFFAOYSA-N 0 3 324.472 3.355 20 10 DGCDHN CN1CCCc2cc(CNCc3cnn(C4CCC4)c3)ccc21 ZINC000921625961 620917703 /nfs/dbraw/zinc/91/77/03/620917703.db2.gz TXPYFZCKKLVGOW-UHFFFAOYSA-N 0 3 310.445 3.280 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1cnn(CC2CCC2)c1 ZINC000921748525 620944017 /nfs/dbraw/zinc/94/40/17/620944017.db2.gz WIIAWCZXGWBMHC-UHFFFAOYSA-N 0 3 312.461 3.347 20 10 DGCDHN Cc1cc(CNCc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000114505292 621008302 /nfs/dbraw/zinc/00/83/02/621008302.db2.gz VAELFBLKHPYNIF-UHFFFAOYSA-N 0 3 300.402 3.023 20 10 DGCDHN O=C1Nc2ccccc2CC[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000922225078 621009021 /nfs/dbraw/zinc/00/90/21/621009021.db2.gz QAJWLKHRADZNIH-SFHVURJKSA-N 0 3 322.408 3.055 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn(C)nc1Cl ZINC000856790504 621022398 /nfs/dbraw/zinc/02/23/98/621022398.db2.gz BZLNJHYLVYFTLA-CYBMUJFWSA-N 0 3 320.868 3.169 20 10 DGCDHN CC(C)(/C=C\Cl)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000922648790 621073239 /nfs/dbraw/zinc/07/32/39/621073239.db2.gz PYGQDTUXPTYBKU-WAYWQWQTSA-N 0 3 312.816 3.283 20 10 DGCDHN CCOc1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c([O-])c1 ZINC000922970003 621142094 /nfs/dbraw/zinc/14/20/94/621142094.db2.gz YXIAIUNNWDUMAH-OAHLLOKOSA-N 0 3 305.418 3.372 20 10 DGCDHN COc1ccc(O)c(CNCc2ccc(F)c(F)c2N(C)C)c1 ZINC000858137241 621156986 /nfs/dbraw/zinc/15/69/86/621156986.db2.gz KFDUVWFUYAVWDC-UHFFFAOYSA-N 0 3 322.355 3.035 20 10 DGCDHN CN(C)c1cc(F)c(CNCCCNc2ccccn2)cc1F ZINC000858148808 621158814 /nfs/dbraw/zinc/15/88/14/621158814.db2.gz LXALOQSXBWGJKU-UHFFFAOYSA-N 0 3 320.387 3.018 20 10 DGCDHN CO[C@@](C)([C@@H](C)NCc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000858177294 621161680 /nfs/dbraw/zinc/16/16/80/621161680.db2.gz OBSQOWVHXHHDSW-DIFFPNOSSA-N 0 3 312.404 3.324 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@H](C2CC2)[C@@H]2CCCCO2)cc1F ZINC000858186095 621162458 /nfs/dbraw/zinc/16/24/58/621162458.db2.gz QJBITCUVFHWASS-ZWKOTPCHSA-N 0 3 324.415 3.468 20 10 DGCDHN COc1ccc(N2CC[C@@H](NCc3ccncc3Cl)C2)cc1 ZINC000858187418 621162811 /nfs/dbraw/zinc/16/28/11/621162811.db2.gz UMARLNCWMPHFRS-CQSZACIVSA-N 0 3 317.820 3.112 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000858222778 621166046 /nfs/dbraw/zinc/16/60/46/621166046.db2.gz XDIOKFXQDPNQCV-CZUORRHYSA-N 0 3 323.314 3.416 20 10 DGCDHN Cc1ccc(O)c(CNCc2cc(C)c(Br)cn2)c1 ZINC000858239682 621167186 /nfs/dbraw/zinc/16/71/86/621167186.db2.gz RVOIRROBQMJETD-UHFFFAOYSA-N 0 3 321.218 3.456 20 10 DGCDHN CCOc1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c([O-])c1 ZINC000858252239 621168872 /nfs/dbraw/zinc/16/88/72/621168872.db2.gz ZLCNBNKKOTWZFF-GOSISDBHSA-N 0 3 307.434 3.212 20 10 DGCDHN CCN(CC)c1ccc(CNCc2ccc[nH]c2=O)cc1F ZINC000858304223 621173389 /nfs/dbraw/zinc/17/33/89/621173389.db2.gz KRSBANXWBJYXHX-UHFFFAOYSA-N 0 3 303.381 3.062 20 10 DGCDHN C/C=C\C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000858536026 621202687 /nfs/dbraw/zinc/20/26/87/621202687.db2.gz DAJSVQARBPQWCG-XRVBUDJMSA-N 0 3 300.196 3.390 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000858527486 621201403 /nfs/dbraw/zinc/20/14/03/621201403.db2.gz HRNYCEWFGBQXBK-AUUYWEPGSA-N 0 3 323.440 3.357 20 10 DGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000858543954 621203365 /nfs/dbraw/zinc/20/33/65/621203365.db2.gz QQAGPSZETZRFDS-SCTDSRPQSA-N 0 3 311.425 3.427 20 10 DGCDHN COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000840808816 621209133 /nfs/dbraw/zinc/20/91/33/621209133.db2.gz MRILIEHZFBJMII-ZBFHGGJFSA-N 0 3 315.413 3.136 20 10 DGCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCCC1 ZINC000838846358 621289844 /nfs/dbraw/zinc/28/98/44/621289844.db2.gz IMGJPDXYMXMSBJ-UHFFFAOYSA-N 0 3 316.445 3.149 20 10 DGCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCCC1 ZINC000838846358 621289847 /nfs/dbraw/zinc/28/98/47/621289847.db2.gz IMGJPDXYMXMSBJ-UHFFFAOYSA-N 0 3 316.445 3.149 20 10 DGCDHN c1cc(N2CCCCC2)ccc1CN1CC2(C1)CCOCC2 ZINC000839140199 621340349 /nfs/dbraw/zinc/34/03/49/621340349.db2.gz BZBXOJCWTGFQSB-UHFFFAOYSA-N 0 3 300.446 3.289 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c1[O-] ZINC000839182840 621343966 /nfs/dbraw/zinc/34/39/66/621343966.db2.gz QILNZRSRYKPBPO-KGLIPLIRSA-N 0 3 311.809 3.101 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839192099 621347053 /nfs/dbraw/zinc/34/70/53/621347053.db2.gz GUNBVEMCXUXRGJ-UHFFFAOYSA-N 0 3 318.804 3.484 20 10 DGCDHN CO[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753545583 621447317 /nfs/dbraw/zinc/44/73/17/621447317.db2.gz FXFQGZVVHGMING-GOSISDBHSA-N 0 3 313.397 3.192 20 10 DGCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753545583 621447318 /nfs/dbraw/zinc/44/73/18/621447318.db2.gz FXFQGZVVHGMING-GOSISDBHSA-N 0 3 313.397 3.192 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)(C)O ZINC000753552472 621447978 /nfs/dbraw/zinc/44/79/78/621447978.db2.gz CSQPWERPOATWLC-CQSZACIVSA-N 0 3 315.413 3.220 20 10 DGCDHN CCOc1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)c([O-])c1 ZINC000753596181 621452557 /nfs/dbraw/zinc/45/25/57/621452557.db2.gz VXNAZYOXQTXUCN-GFCCVEGCSA-N 0 3 306.431 3.483 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](C)c2nccs2)c([O-])c1 ZINC000753596181 621452561 /nfs/dbraw/zinc/45/25/61/621452561.db2.gz VXNAZYOXQTXUCN-GFCCVEGCSA-N 0 3 306.431 3.483 20 10 DGCDHN CN(C)c1cc(F)c(CN(C[C@@H]2CCOC2)C2CC2)cc1F ZINC000862218378 621562866 /nfs/dbraw/zinc/56/28/66/621562866.db2.gz KSLXAHPMUYCUIE-LBPRGKRZSA-N 0 3 310.388 3.032 20 10 DGCDHN CN(C)c1c(F)c(F)ccc1CN(C)Cc1ccccc1O ZINC000862228755 621564497 /nfs/dbraw/zinc/56/44/97/621564497.db2.gz WXDFXBKWTVRIFW-UHFFFAOYSA-N 0 3 306.356 3.368 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@]2(C)CCCO)cc1F ZINC000862368183 621579892 /nfs/dbraw/zinc/57/98/92/621579892.db2.gz DOQFJKJZVUOIIE-QGZVFWFLSA-N 0 3 312.404 3.158 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000862526797 621596380 /nfs/dbraw/zinc/59/63/80/621596380.db2.gz DSVPFOXUEAOYDY-FGSXEWAUSA-N 0 3 320.502 3.018 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC000862540491 621599088 /nfs/dbraw/zinc/59/90/88/621599088.db2.gz GRPTYRXHMFWXPW-HNNXBMFYSA-N 0 3 313.397 3.486 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC000862540491 621599091 /nfs/dbraw/zinc/59/90/91/621599091.db2.gz GRPTYRXHMFWXPW-HNNXBMFYSA-N 0 3 313.397 3.486 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)c2c1c(F)ccc2[O-] ZINC000756357033 621630722 /nfs/dbraw/zinc/63/07/22/621630722.db2.gz BIRAWZJSNNWHJM-VNHYZAJKSA-N 0 3 323.408 3.255 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)nc2)c2c1c(F)ccc2[O-] ZINC000756401431 621635471 /nfs/dbraw/zinc/63/54/71/621635471.db2.gz PBVXXJQEBYWCRZ-RISCZKNCSA-N 0 3 315.392 3.330 20 10 DGCDHN Cc1nccn1CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756434014 621638297 /nfs/dbraw/zinc/63/82/97/621638297.db2.gz SWALXXVXFWHSDJ-RISCZKNCSA-N 0 3 303.381 3.264 20 10 DGCDHN C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000756661155 621656973 /nfs/dbraw/zinc/65/69/73/621656973.db2.gz YSAVYESOIZPDKF-SECBINFHSA-N 0 3 317.286 3.141 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)c2c1c(F)ccc2[O-] ZINC000756659293 621657213 /nfs/dbraw/zinc/65/72/13/621657213.db2.gz CQHLPTKZDZUUQW-TYNCELHUSA-N 0 3 319.376 3.113 20 10 DGCDHN CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000756663121 621657243 /nfs/dbraw/zinc/65/72/43/621657243.db2.gz GQGDRAGILAURAR-ZDUSSCGKSA-N 0 3 317.433 3.164 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000756707568 621659703 /nfs/dbraw/zinc/65/97/03/621659703.db2.gz JJZPXMCZXNIMHJ-CYBMUJFWSA-N 0 3 316.357 3.338 20 10 DGCDHN C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-] ZINC000756709554 621659971 /nfs/dbraw/zinc/65/99/71/621659971.db2.gz VLXYFEKDGLFQGN-NSHDSACASA-N 0 3 320.320 3.169 20 10 DGCDHN C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1cc(F)ccc1[O-] ZINC000756756971 621662387 /nfs/dbraw/zinc/66/23/87/621662387.db2.gz ASUJKEMUWOOWLQ-TZMCWYRMSA-N 0 3 317.360 3.412 20 10 DGCDHN COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C2 ZINC000756774913 621663749 /nfs/dbraw/zinc/66/37/49/621663749.db2.gz MHQHJKDBRNNKEE-SMDDNHRTSA-N 0 3 317.360 3.194 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cccc(C(F)(F)F)c1[O-] ZINC000863544765 621682424 /nfs/dbraw/zinc/68/24/24/621682424.db2.gz ANFSPTLHSJOGBE-OUAUKWLOSA-N 0 3 302.340 3.202 20 10 DGCDHN C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000863544765 621682427 /nfs/dbraw/zinc/68/24/27/621682427.db2.gz ANFSPTLHSJOGBE-OUAUKWLOSA-N 0 3 302.340 3.202 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)CC(F)F ZINC000758616103 621791730 /nfs/dbraw/zinc/79/17/30/621791730.db2.gz QAQMBLXRLHTVBE-HNNXBMFYSA-N 0 3 307.340 3.165 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cnc3c(cnn3C)c2)cc1 ZINC000865418008 621915769 /nfs/dbraw/zinc/91/57/69/621915769.db2.gz GBZGCRNDGBFPCV-UHFFFAOYSA-N 0 3 323.444 3.104 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@](C)(O)C(F)(F)F)cc1F ZINC000760448790 621941366 /nfs/dbraw/zinc/94/13/66/621941366.db2.gz ABOVJPULMKJTQL-AWEZNQCLSA-N 0 3 322.346 3.075 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1[O-] ZINC000866463169 622122469 /nfs/dbraw/zinc/12/24/69/622122469.db2.gz KMENWGFHYRTGSS-SXMVTHIZSA-N 0 3 311.731 3.316 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1[O-] ZINC000866463168 622122476 /nfs/dbraw/zinc/12/24/76/622122476.db2.gz KMENWGFHYRTGSS-JOAULVNJSA-N 0 3 311.731 3.316 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(F)ccc1[O-] ZINC000866477754 622124338 /nfs/dbraw/zinc/12/43/38/622124338.db2.gz BMPUKVSKOOZOIB-LBPRGKRZSA-N 0 3 301.361 3.455 20 10 DGCDHN O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCc3cccc([O-])c31)CCCC2 ZINC000866642106 622152815 /nfs/dbraw/zinc/15/28/15/622152815.db2.gz CGTSLZMWJRUYNT-MRXNPFEDSA-N 0 3 310.397 3.149 20 10 DGCDHN C[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000765359775 622260951 /nfs/dbraw/zinc/26/09/51/622260951.db2.gz YLHPMEQQQWLXMV-RDJZCZTQSA-N 0 3 323.440 3.209 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC000789770314 625563170 /nfs/dbraw/zinc/56/31/70/625563170.db2.gz VBCIQHJGERNREJ-MRXNPFEDSA-N 0 3 318.804 3.402 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC000789770314 625563174 /nfs/dbraw/zinc/56/31/74/625563174.db2.gz VBCIQHJGERNREJ-MRXNPFEDSA-N 0 3 318.804 3.402 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC000767196973 622381954 /nfs/dbraw/zinc/38/19/54/622381954.db2.gz ZWMRVLZPNBYNCS-ROUUACIJSA-N 0 3 305.418 3.086 20 10 DGCDHN CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464127 622458160 /nfs/dbraw/zinc/45/81/60/622458160.db2.gz ZYSOYWKFQHXDMQ-XGWLTEMNSA-N 0 3 305.418 3.219 20 10 DGCDHN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464127 622458162 /nfs/dbraw/zinc/45/81/62/622458162.db2.gz ZYSOYWKFQHXDMQ-XGWLTEMNSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462486 622458257 /nfs/dbraw/zinc/45/82/57/622458257.db2.gz LXBGOYKFDNJPAH-YOEHRIQHSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)CC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462486 622458258 /nfs/dbraw/zinc/45/82/58/622458258.db2.gz LXBGOYKFDNJPAH-YOEHRIQHSA-N 0 3 305.418 3.219 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000769290817 622514392 /nfs/dbraw/zinc/51/43/92/622514392.db2.gz JRSMPSZQIMYAMA-GJZGRUSLSA-N 0 3 304.434 3.004 20 10 DGCDHN CCOc1ccc(C[N@H+](C)Cc2cccc(N(C)C)c2)c([O-])c1 ZINC000769538861 622539244 /nfs/dbraw/zinc/53/92/44/622539244.db2.gz YPCUGDRHJRJIGI-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c([O-])c1 ZINC000769538861 622539245 /nfs/dbraw/zinc/53/92/45/622539245.db2.gz YPCUGDRHJRJIGI-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1[O-] ZINC000769548143 622539502 /nfs/dbraw/zinc/53/95/02/622539502.db2.gz FZGUDFPRWFUSQI-CRAIPNDOSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1[O-] ZINC000769548143 622539503 /nfs/dbraw/zinc/53/95/03/622539503.db2.gz FZGUDFPRWFUSQI-CRAIPNDOSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([O-])c1 ZINC000770319677 622621022 /nfs/dbraw/zinc/62/10/22/622621022.db2.gz AMDIVHWPQDWJTC-PBHICJAKSA-N 0 3 315.417 3.071 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([O-])c1 ZINC000770319677 622621026 /nfs/dbraw/zinc/62/10/26/622621026.db2.gz AMDIVHWPQDWJTC-PBHICJAKSA-N 0 3 315.417 3.071 20 10 DGCDHN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770505345 622640702 /nfs/dbraw/zinc/64/07/02/622640702.db2.gz QTRDILGUNDVUEJ-CQSZACIVSA-N 0 3 305.418 3.336 20 10 DGCDHN CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770505345 622640706 /nfs/dbraw/zinc/64/07/06/622640706.db2.gz QTRDILGUNDVUEJ-CQSZACIVSA-N 0 3 305.418 3.336 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2ccnc(SC)c2)c([O-])c1 ZINC000771882799 622809151 /nfs/dbraw/zinc/80/91/51/622809151.db2.gz SHTZSXQGBSGANL-UHFFFAOYSA-N 0 3 304.415 3.198 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872254533 622868543 /nfs/dbraw/zinc/86/85/43/622868543.db2.gz HDASWCASLXRNRT-INIZCTEOSA-N 0 3 307.340 3.401 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872254533 622868546 /nfs/dbraw/zinc/86/85/46/622868546.db2.gz HDASWCASLXRNRT-INIZCTEOSA-N 0 3 307.340 3.401 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@H](CO)CC(F)(F)F)cc1 ZINC000773108301 622985903 /nfs/dbraw/zinc/98/59/03/622985903.db2.gz WAGLRRNQTQIFOO-AAEUAGOBSA-N 0 3 304.356 3.107 20 10 DGCDHN CCCCn1cc(CNCc2cc(OCC)ccc2O)c(C)n1 ZINC000773409282 623024257 /nfs/dbraw/zinc/02/42/57/623024257.db2.gz LKNRESCHPBEUQN-UHFFFAOYSA-N 0 3 317.433 3.386 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCCCC1 ZINC000774484980 623151152 /nfs/dbraw/zinc/15/11/52/623151152.db2.gz UGSJXXFSQJTSKU-LSDHHAIUSA-N 0 3 317.477 3.241 20 10 DGCDHN CC(C)N(C(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000774483976 623151217 /nfs/dbraw/zinc/15/12/17/623151217.db2.gz NXTQKCXDIZJEQT-HZPDHXFCSA-N 0 3 319.493 3.437 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccccc1[O-] ZINC000775491005 623279891 /nfs/dbraw/zinc/27/98/91/623279891.db2.gz XPTPDACUPFMNOM-RHSMWYFYSA-N 0 3 319.376 3.012 20 10 DGCDHN Cc1cccc(CN2CCN(CCc3cccs3)CC2)c1O ZINC000775651890 623304697 /nfs/dbraw/zinc/30/46/97/623304697.db2.gz RZVVSMURNLLHFO-UHFFFAOYSA-N 0 3 316.470 3.122 20 10 DGCDHN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775835102 623339394 /nfs/dbraw/zinc/33/93/94/623339394.db2.gz FHOOFAMXZYQRHT-HNNXBMFYSA-N 0 3 311.429 3.350 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)Cc2cccc(O)c2)c([O-])c1 ZINC000776174997 623390272 /nfs/dbraw/zinc/39/02/72/623390272.db2.gz UPTPQIQERDPLJB-CYBMUJFWSA-N 0 3 301.386 3.217 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c([O-])c1 ZINC000776174998 623390339 /nfs/dbraw/zinc/39/03/39/623390339.db2.gz UPTPQIQERDPLJB-ZDUSSCGKSA-N 0 3 301.386 3.217 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@](C)(CO)c2ccccc2)c1[O-] ZINC000776176098 623391915 /nfs/dbraw/zinc/39/19/15/623391915.db2.gz XXTVZTVTRGAQEI-QGZVFWFLSA-N 0 3 305.805 3.351 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000776252393 623401934 /nfs/dbraw/zinc/40/19/34/623401934.db2.gz SVXYQIHPFXSGCA-MRXNPFEDSA-N 0 3 323.795 3.186 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NC[C@@H](OC)C(F)(F)F)cc1 ZINC000777007436 623484511 /nfs/dbraw/zinc/48/45/11/623484511.db2.gz MMMQDERJPJWJEO-BXUZGUMPSA-N 0 3 304.356 3.371 20 10 DGCDHN CO[C@](C)(C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CC1 ZINC000876531852 623635382 /nfs/dbraw/zinc/63/53/82/623635382.db2.gz RCAYMRIUNFIJIX-PKOBYXMFSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@](C)(C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CC1 ZINC000876531852 623635387 /nfs/dbraw/zinc/63/53/87/623635387.db2.gz RCAYMRIUNFIJIX-PKOBYXMFSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@@](C)(C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CC1 ZINC000876531851 623635727 /nfs/dbraw/zinc/63/57/27/623635727.db2.gz RCAYMRIUNFIJIX-MJGOQNOKSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@@](C)(C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CC1 ZINC000876531851 623635729 /nfs/dbraw/zinc/63/57/29/623635729.db2.gz RCAYMRIUNFIJIX-MJGOQNOKSA-N 0 3 319.445 3.188 20 10 DGCDHN COC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779001423 623719316 /nfs/dbraw/zinc/71/93/16/623719316.db2.gz RQKQAEAJMKKXLA-UWVGGRQHSA-N 0 3 302.212 3.149 20 10 DGCDHN CC(C)(C)OC(=O)C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000779009007 623720350 /nfs/dbraw/zinc/72/03/50/623720350.db2.gz HEGQXANFZVYQDN-UHFFFAOYSA-N 0 3 309.381 3.085 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)c1[O-] ZINC000779050367 623725090 /nfs/dbraw/zinc/72/50/90/623725090.db2.gz OUNVRXJUIJPOGJ-VWYCJHECSA-N 0 3 316.239 3.273 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c([O-])c1 ZINC000877005755 623764581 /nfs/dbraw/zinc/76/45/81/623764581.db2.gz ANZFSFGWDCMHCB-ZDUSSCGKSA-N 0 3 310.397 3.070 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000877058110 623778565 /nfs/dbraw/zinc/77/85/65/623778565.db2.gz VFNQSPDDABYIFP-HNNXBMFYSA-N 0 3 309.768 3.316 20 10 DGCDHN COc1ccccc1O[C@H](C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877073508 623784391 /nfs/dbraw/zinc/78/43/91/623784391.db2.gz LXYUKNWGPLPMCL-CQSZACIVSA-N 0 3 301.386 3.266 20 10 DGCDHN CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877432304 623879766 /nfs/dbraw/zinc/87/97/66/623879766.db2.gz UEZXUJXOSXSRTJ-CQSZACIVSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1 ZINC000877493247 623910043 /nfs/dbraw/zinc/91/00/43/623910043.db2.gz BGHSUXBPGLNEEN-QGZVFWFLSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c([O-])c1 ZINC000877493247 623910048 /nfs/dbraw/zinc/91/00/48/623910048.db2.gz BGHSUXBPGLNEEN-QGZVFWFLSA-N 0 3 324.424 3.186 20 10 DGCDHN COc1ccc(CNCc2cc(OC)c(O)cc2Cl)c(O)c1 ZINC000877493661 623910143 /nfs/dbraw/zinc/91/01/43/623910143.db2.gz NZVVMZUYRXTLIN-UHFFFAOYSA-N 0 3 323.776 3.058 20 10 DGCDHN CCCC[N@H+](Cc1cnc2c(cnn2C)c1)Cc1ccccc1[O-] ZINC000877503172 623915332 /nfs/dbraw/zinc/91/53/32/623915332.db2.gz DKWOQBUMRJNARN-UHFFFAOYSA-N 0 3 324.428 3.476 20 10 DGCDHN CCCC[N@@H+](Cc1cnc2c(cnn2C)c1)Cc1ccccc1[O-] ZINC000877503172 623915335 /nfs/dbraw/zinc/91/53/35/623915335.db2.gz DKWOQBUMRJNARN-UHFFFAOYSA-N 0 3 324.428 3.476 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000877557104 623940650 /nfs/dbraw/zinc/94/06/50/623940650.db2.gz NJCJSVXKHPKHPY-AWEZNQCLSA-N 0 3 322.449 3.484 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1[O-] ZINC000877681439 623988852 /nfs/dbraw/zinc/98/88/52/623988852.db2.gz GSUCWMMJAZIOPK-OUJBWJOFSA-N 0 3 314.223 3.119 20 10 DGCDHN CC(=O)Nc1cccc2c1CN(Cc1ccc(C)cc1O)CC2 ZINC000877680542 623989326 /nfs/dbraw/zinc/98/93/26/623989326.db2.gz ZRLPQUJSTIZTPD-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN COCC1(C2CC2)CN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000877686133 623992884 /nfs/dbraw/zinc/99/28/84/623992884.db2.gz LTWCOCNTOHXVKD-PLNGDYQASA-N 0 3 300.446 3.124 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@@H]([C@H](C)O)C2)cc1F ZINC000780892553 623994557 /nfs/dbraw/zinc/99/45/57/623994557.db2.gz LIIIWFFRTVURPZ-GOEBONIOSA-N 0 3 308.441 3.265 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1[O-] ZINC000877807519 624040238 /nfs/dbraw/zinc/04/02/38/624040238.db2.gz WTYDTUGKJOBCJA-LEWSCRJBSA-N 0 3 311.809 3.101 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c([O-])c1 ZINC000877811502 624043763 /nfs/dbraw/zinc/04/37/63/624043763.db2.gz MCSJVACFWBJJIJ-INIZCTEOSA-N 0 3 305.805 3.047 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccccc1[O-] ZINC000878362503 624256868 /nfs/dbraw/zinc/25/68/68/624256868.db2.gz BDQDOQCABBQYKO-GOEBONIOSA-N 0 3 305.418 3.161 20 10 DGCDHN C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000783244265 624330060 /nfs/dbraw/zinc/33/00/60/624330060.db2.gz FOSUAYNJBVDWKD-KCXAZCMYSA-N 0 3 308.853 3.398 20 10 DGCDHN CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000783520681 624361393 /nfs/dbraw/zinc/36/13/93/624361393.db2.gz CTBNYFMUVCRUOM-CYBMUJFWSA-N 0 3 306.406 3.052 20 10 DGCDHN CCOc1ccc(C[N@H+](CCO)Cc2ccc(C)cc2)c([O-])c1 ZINC000783603384 624373694 /nfs/dbraw/zinc/37/36/94/624373694.db2.gz RMJWDEHTCVVSKJ-UHFFFAOYSA-N 0 3 315.413 3.094 20 10 DGCDHN CCOc1ccc(C[N@@H+](CCO)Cc2ccc(C)cc2)c([O-])c1 ZINC000783603384 624373695 /nfs/dbraw/zinc/37/36/95/624373695.db2.gz RMJWDEHTCVVSKJ-UHFFFAOYSA-N 0 3 315.413 3.094 20 10 DGCDHN CCOc1ccc(CNc2nc3ccc(F)cc3[nH]2)c(O)c1 ZINC000784324078 624498600 /nfs/dbraw/zinc/49/86/00/624498600.db2.gz OTOYTBRMTKJMLM-UHFFFAOYSA-N 0 3 301.321 3.418 20 10 DGCDHN CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647705 624620949 /nfs/dbraw/zinc/62/09/49/624620949.db2.gz ITBYCNKAXDQJPK-QLFBSQMISA-N 0 3 304.434 3.222 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccccc1[O-] ZINC000879647908 624621391 /nfs/dbraw/zinc/62/13/91/624621391.db2.gz QHSUAEWJWZWPLB-CQSZACIVSA-N 0 3 304.434 3.272 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NCCC1=CCCCC1)c1ccccc1[O-] ZINC000879648727 624622676 /nfs/dbraw/zinc/62/26/76/624622676.db2.gz AVPRYRHQSNPAIF-CABCVRRESA-N 0 3 316.445 3.438 20 10 DGCDHN Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649752 624622978 /nfs/dbraw/zinc/62/29/78/624622978.db2.gz UCFNYDQDEGDIJY-HUUCEWRRSA-N 0 3 312.413 3.056 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1[O-] ZINC000879649309 624623009 /nfs/dbraw/zinc/62/30/09/624623009.db2.gz NADNOHKUZIYUHJ-UKRRQHHQSA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879649077 624623192 /nfs/dbraw/zinc/62/31/92/624623192.db2.gz LHVKVBWBSJJRPJ-RDTXWAMCSA-N 0 3 324.424 3.237 20 10 DGCDHN C[C@@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879650138 624623212 /nfs/dbraw/zinc/62/32/12/624623212.db2.gz KXHQKTLMPGCZHC-QLFBSQMISA-N 0 3 312.413 3.309 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCCC1=CCCCC1 ZINC000879651560 624624177 /nfs/dbraw/zinc/62/41/77/624624177.db2.gz AVPRYRHQSNPAIF-LSDHHAIUSA-N 0 3 316.445 3.438 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCCC1=CCCCC1 ZINC000879651559 624624476 /nfs/dbraw/zinc/62/44/76/624624476.db2.gz AVPRYRHQSNPAIF-GJZGRUSLSA-N 0 3 316.445 3.438 20 10 DGCDHN C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1ccccc1[O-] ZINC000879650498 624624692 /nfs/dbraw/zinc/62/46/92/624624692.db2.gz DXMOHOLRPKORSM-AWEZNQCLSA-N 0 3 310.397 3.022 20 10 DGCDHN C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000879652338 624626475 /nfs/dbraw/zinc/62/64/75/624626475.db2.gz YCXMKQYROMGCIL-STQMWFEESA-N 0 3 316.376 3.059 20 10 DGCDHN C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000879652337 624626705 /nfs/dbraw/zinc/62/67/05/624626705.db2.gz YCXMKQYROMGCIL-OLZOCXBDSA-N 0 3 316.376 3.059 20 10 DGCDHN CCOC(CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)OCC ZINC000786971692 624968970 /nfs/dbraw/zinc/96/89/70/624968970.db2.gz XRUYYUXVAWTDDA-WCQYABFASA-N 0 3 311.397 3.458 20 10 DGCDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1c([O-])ccc(Cl)c1F ZINC000790956134 625721616 /nfs/dbraw/zinc/72/16/16/625721616.db2.gz OHDKYFPGSCJGMT-VXGBXAGGSA-N 0 3 314.832 3.395 20 10 DGCDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1c([O-])ccc(Cl)c1F ZINC000790956134 625721620 /nfs/dbraw/zinc/72/16/20/625721620.db2.gz OHDKYFPGSCJGMT-VXGBXAGGSA-N 0 3 314.832 3.395 20 10 DGCDHN C[C@@H](NCc1ccc2oc(=O)oc2c1)c1ccc(N(C)C)cc1 ZINC000883092062 625924408 /nfs/dbraw/zinc/92/44/08/625924408.db2.gz FCKPPMIHYTZIOS-GFCCVEGCSA-N 0 3 312.369 3.303 20 10 DGCDHN CCOc1ccc(C[NH2+]CCCc2cccc(C)n2)c([O-])c1 ZINC000796448141 626050933 /nfs/dbraw/zinc/05/09/33/626050933.db2.gz KIFLRDNTZNNXBS-UHFFFAOYSA-N 0 3 300.402 3.217 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCc1ccc(SC)cc1 ZINC000797879550 626176342 /nfs/dbraw/zinc/17/63/42/626176342.db2.gz LPYRAMFNSPKLQA-UHFFFAOYSA-N 0 3 303.427 3.455 20 10 DGCDHN c1cnc2c(c1)CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000798926077 626259850 /nfs/dbraw/zinc/25/98/50/626259850.db2.gz HTANADOMWCEZPE-IBGZPJMESA-N 0 3 323.440 3.085 20 10 DGCDHN C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000799728570 626324854 /nfs/dbraw/zinc/32/48/54/626324854.db2.gz CKWOEPPKJUAMGC-CZUORRHYSA-N 0 3 303.377 3.176 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CCO4)CC3)c2c1 ZINC000799954837 626338037 /nfs/dbraw/zinc/33/80/37/626338037.db2.gz DEEGPWFXCDDYLY-UHFFFAOYSA-N 0 3 313.397 3.309 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1[O-] ZINC000808719336 626402485 /nfs/dbraw/zinc/40/24/85/626402485.db2.gz VYRSZQBDOMUZQE-YBTHPKLGSA-N 0 3 315.866 3.306 20 10 DGCDHN CCCCNC(=O)[C@@H](C)[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801598515 626411563 /nfs/dbraw/zinc/41/15/63/626411563.db2.gz BGHBDEWWZKBWGI-OAHLLOKOSA-N 0 3 306.450 3.299 20 10 DGCDHN CCCCNC(=O)[C@@H](C)[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801598515 626411566 /nfs/dbraw/zinc/41/15/66/626411566.db2.gz BGHBDEWWZKBWGI-OAHLLOKOSA-N 0 3 306.450 3.299 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000802654632 626565489 /nfs/dbraw/zinc/56/54/89/626565489.db2.gz LINYREBCODODSX-SFHVURJKSA-N 0 3 320.433 3.129 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000802654632 626565490 /nfs/dbraw/zinc/56/54/90/626565490.db2.gz LINYREBCODODSX-SFHVURJKSA-N 0 3 320.433 3.129 20 10 DGCDHN C=C/C=C/CC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000883261316 626627289 /nfs/dbraw/zinc/62/72/89/626627289.db2.gz YGGJXTPXRCAYIM-SNAWJCMRSA-N 0 3 312.207 3.385 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c1[O-] ZINC000883277396 626634332 /nfs/dbraw/zinc/63/43/32/626634332.db2.gz ZCELEYLOQUSEHV-TZMCWYRMSA-N 0 3 323.820 3.449 20 10 DGCDHN CC[C@@H]1CN(C)CC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000840094532 626756645 /nfs/dbraw/zinc/75/66/45/626756645.db2.gz VAYIAHSIDLQLRG-OAHLLOKOSA-N 0 3 314.429 3.080 20 10 DGCDHN CC[C@@H]1CN(C)CC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000840094532 626756646 /nfs/dbraw/zinc/75/66/46/626756646.db2.gz VAYIAHSIDLQLRG-OAHLLOKOSA-N 0 3 314.429 3.080 20 10 DGCDHN COCCOCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808673634 626847925 /nfs/dbraw/zinc/84/79/25/626847925.db2.gz RGUBHPBDMRPTCY-GFCCVEGCSA-N 0 3 301.814 3.058 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCCCC2=O)c1[O-] ZINC000808692997 626850076 /nfs/dbraw/zinc/85/00/76/626850076.db2.gz BWXJBPFOGYMUKJ-ZDUSSCGKSA-N 0 3 324.852 3.407 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1[O-] ZINC000808695528 626850326 /nfs/dbraw/zinc/85/03/26/626850326.db2.gz OANOFMCZKVWLBA-CHWSQXEVSA-N 0 3 313.825 3.058 20 10 DGCDHN COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706191 626851893 /nfs/dbraw/zinc/85/18/93/626851893.db2.gz FBTFCXRAGGLLBK-NEPJUHHUSA-N 0 3 301.814 3.056 20 10 DGCDHN COC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])[C@@H]1CCCO1 ZINC000808715495 626853360 /nfs/dbraw/zinc/85/33/60/626853360.db2.gz GWRHXEQGHZJMGA-UGFHNGPFSA-N 0 3 313.825 3.199 20 10 DGCDHN C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1[O-] ZINC000808728063 626854207 /nfs/dbraw/zinc/85/42/07/626854207.db2.gz MMBXTNQVGZSORP-QMTHXVAHSA-N 0 3 305.324 3.325 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c([O-])c1 ZINC000808729425 626854990 /nfs/dbraw/zinc/85/49/90/626854990.db2.gz JOCFFKFSUHESMU-SWLSCSKDSA-N 0 3 301.361 3.494 20 10 DGCDHN CCOc1ccc(O)c(CN(C)Cc2ccccc2N(C)C)c1 ZINC000809787376 626953292 /nfs/dbraw/zinc/95/32/92/626953292.db2.gz APQFNMNBJCQPIW-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810263507 626994748 /nfs/dbraw/zinc/99/47/48/626994748.db2.gz OJCSKVUDFYVQDN-RYUDHWBXSA-N 0 3 300.393 3.441 20 10 DGCDHN CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810263507 626994751 /nfs/dbraw/zinc/99/47/51/626994751.db2.gz OJCSKVUDFYVQDN-RYUDHWBXSA-N 0 3 300.393 3.441 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1ccccc1[O-] ZINC000886675224 627187059 /nfs/dbraw/zinc/18/70/59/627187059.db2.gz YQQSOXBYNWJBCO-RHSMWYFYSA-N 0 3 303.377 3.176 20 10 DGCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC000811512128 627285238 /nfs/dbraw/zinc/28/52/38/627285238.db2.gz DQEWURZJJPLOBU-CQSZACIVSA-N 0 3 310.388 3.000 20 10 DGCDHN CCOc1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000811521050 627286943 /nfs/dbraw/zinc/28/69/43/627286943.db2.gz XVUCZSFUEDXTAP-AWEZNQCLSA-N 0 3 321.808 3.088 20 10 DGCDHN CCC[N@H+](CC)C[C@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000811520465 627287132 /nfs/dbraw/zinc/28/71/32/627287132.db2.gz PGRDDOXRMBDYPS-NSHDSACASA-N 0 3 302.821 3.395 20 10 DGCDHN CCC[N@@H+](CC)C[C@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000811520465 627287134 /nfs/dbraw/zinc/28/71/34/627287134.db2.gz PGRDDOXRMBDYPS-NSHDSACASA-N 0 3 302.821 3.395 20 10 DGCDHN COc1cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811777273 627320890 /nfs/dbraw/zinc/32/08/90/627320890.db2.gz IGVCSWNYWUGYPI-RDJZCZTQSA-N 0 3 305.418 3.099 20 10 DGCDHN COc1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811792389 627322473 /nfs/dbraw/zinc/32/24/73/627322473.db2.gz OHTLQGPXFNAZAP-FUHWJXTLSA-N 0 3 317.429 3.243 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c([O-])c1 ZINC000815557686 627684768 /nfs/dbraw/zinc/68/47/68/627684768.db2.gz ARGWYTNIZOTOJC-CQSZACIVSA-N 0 3 316.445 3.061 20 10 DGCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000815632896 627692996 /nfs/dbraw/zinc/69/29/96/627692996.db2.gz AYVKFNURSSGYLG-SCRDCRAPSA-N 0 3 322.424 3.222 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2[O-])[C@H]1n1cccn1 ZINC000815659381 627695403 /nfs/dbraw/zinc/69/54/03/627695403.db2.gz AFYDAPWLTAHDGY-CYGHRXIMSA-N 0 3 315.417 3.048 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2CC23CCSCC3)c([O-])c1 ZINC000817411410 627895497 /nfs/dbraw/zinc/89/54/97/627895497.db2.gz RDYCMNWJBOMUMF-CQSZACIVSA-N 0 3 307.459 3.414 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCCCN1)c1cccc(C(F)(F)F)c1[O-] ZINC000817948882 627971467 /nfs/dbraw/zinc/97/14/67/627971467.db2.gz FDHANRQFOUPTRQ-WDEREUQCSA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@H](NC[C@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1[O-] ZINC000817948882 627971471 /nfs/dbraw/zinc/97/14/71/627971471.db2.gz FDHANRQFOUPTRQ-WDEREUQCSA-N 0 3 302.340 3.204 20 10 DGCDHN Cc1c([C@@H](C)NCCc2ccc(N)cc2)nnn1-c1ccccc1 ZINC000817955956 627974298 /nfs/dbraw/zinc/97/42/98/627974298.db2.gz MCIUZHVOFQUDHF-CQSZACIVSA-N 0 3 321.428 3.051 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC000926904087 627975134 /nfs/dbraw/zinc/97/51/34/627975134.db2.gz DODWSEYZSMIHAV-YRGRVCCFSA-N 0 3 315.335 3.469 20 10 DGCDHN CC[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817959689 627976284 /nfs/dbraw/zinc/97/62/84/627976284.db2.gz GIJGAACJWZEXRK-STQMWFEESA-N 0 3 302.340 3.189 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970892 627979735 /nfs/dbraw/zinc/97/97/35/627979735.db2.gz GVZLGZJOHYTVPK-GMTAPVOTSA-N 0 3 302.340 3.202 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000817973371 627979863 /nfs/dbraw/zinc/97/98/63/627979863.db2.gz DSHGVEVXCYEIFZ-SJCJKPOMSA-N 0 3 300.377 3.069 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000817973370 627980253 /nfs/dbraw/zinc/98/02/53/627980253.db2.gz DSHGVEVXCYEIFZ-PXAZEXFGSA-N 0 3 300.377 3.069 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970787 627980371 /nfs/dbraw/zinc/98/03/71/627980371.db2.gz FGLPYRMPUWVQGA-HOTUBEGUSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000817979818 627981782 /nfs/dbraw/zinc/98/17/82/627981782.db2.gz OVHAJPUYLDNADJ-RHSMWYFYSA-N 0 3 323.431 3.325 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccccc1[O-] ZINC000926925724 627982800 /nfs/dbraw/zinc/98/28/00/627982800.db2.gz KVIFPLPBEMQZKD-NEPJUHHUSA-N 0 3 302.340 3.070 20 10 DGCDHN COc1ccc(N2CC[C@@H](CNCc3nc(C)cs3)C2)cc1 ZINC000818221477 628006372 /nfs/dbraw/zinc/00/63/72/628006372.db2.gz NGCJOHKZSQEKAC-AWEZNQCLSA-N 0 3 317.458 3.076 20 10 DGCDHN COc1ccc(N2CC[C@H](CNCc3ncc(C)s3)C2)cc1 ZINC000818222871 628006642 /nfs/dbraw/zinc/00/66/42/628006642.db2.gz XMHABWBYKCUIOU-CQSZACIVSA-N 0 3 317.458 3.076 20 10 DGCDHN CO[C@H](CN(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000822740918 628487914 /nfs/dbraw/zinc/48/79/14/628487914.db2.gz UZPSPELZTWEMOH-GOSISDBHSA-N 0 3 301.386 3.412 20 10 DGCDHN CO[C@H](C[N@H+](Cc1ccco1)Cc1ccccc1[O-])C1CC1 ZINC000822740918 628487916 /nfs/dbraw/zinc/48/79/16/628487916.db2.gz UZPSPELZTWEMOH-GOSISDBHSA-N 0 3 301.386 3.412 20 10 DGCDHN CO[C@H](C[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C1CC1 ZINC000822740918 628487918 /nfs/dbraw/zinc/48/79/18/628487918.db2.gz UZPSPELZTWEMOH-GOSISDBHSA-N 0 3 301.386 3.412 20 10 DGCDHN CC[C@H](NCc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)F ZINC000824635029 628679416 /nfs/dbraw/zinc/67/94/16/628679416.db2.gz DWYNPTPOGVZDRT-ZFWWWQNUSA-N 0 3 318.383 3.166 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000824751584 628689526 /nfs/dbraw/zinc/68/95/26/628689526.db2.gz ZWHOMVINWZJJET-CQSZACIVSA-N 0 3 305.418 3.230 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893222 628703662 /nfs/dbraw/zinc/70/36/62/628703662.db2.gz NRADRKIFSKMDMC-CVEARBPZSA-N 0 3 317.429 3.182 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893222 628703665 /nfs/dbraw/zinc/70/36/65/628703665.db2.gz NRADRKIFSKMDMC-CVEARBPZSA-N 0 3 317.429 3.182 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030361 628718299 /nfs/dbraw/zinc/71/82/99/628718299.db2.gz KNSRTLMPPSUBBY-CJNGLKHVSA-N 0 3 321.392 3.039 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030361 628718301 /nfs/dbraw/zinc/71/83/01/628718301.db2.gz KNSRTLMPPSUBBY-CJNGLKHVSA-N 0 3 321.392 3.039 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000825086047 628726342 /nfs/dbraw/zinc/72/63/42/628726342.db2.gz PCNCLMLTGJNDCS-MLGOLLRUSA-N 0 3 319.426 3.472 20 10 DGCDHN COC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000825321785 628748972 /nfs/dbraw/zinc/74/89/72/628748972.db2.gz NUHWCXJLVMVHRF-LBPRGKRZSA-N 0 3 313.825 3.303 20 10 DGCDHN COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000825321785 628748974 /nfs/dbraw/zinc/74/89/74/628748974.db2.gz NUHWCXJLVMVHRF-LBPRGKRZSA-N 0 3 313.825 3.303 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1[O-] ZINC000826911315 628902748 /nfs/dbraw/zinc/90/27/48/628902748.db2.gz VZINFLUQIXLRMH-CKNLXJGOSA-N 0 3 315.866 3.133 20 10 DGCDHN CCc1cccc(C[NH2+]CC2(CC(=O)NC)CCCCC2)c1[O-] ZINC000827591415 628974394 /nfs/dbraw/zinc/97/43/94/628974394.db2.gz PNQRVXHORNBMLE-UHFFFAOYSA-N 0 3 318.461 3.131 20 10 DGCDHN COCCOc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834518624 629719833 /nfs/dbraw/zinc/71/98/33/629719833.db2.gz KRISBLMSINAPHT-KRWDZBQOSA-N 0 3 313.397 3.195 20 10 DGCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1c1ccccc1 ZINC000834585108 629734797 /nfs/dbraw/zinc/73/47/97/629734797.db2.gz GCTHWKKNVCXXMM-DLBZAZTESA-N 0 3 322.408 3.165 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1nnc(-c3ccccc3)o1)CC2 ZINC000834688670 629757626 /nfs/dbraw/zinc/75/76/26/629757626.db2.gz DAITWPDBROLBPH-HNNXBMFYSA-N 0 3 321.380 3.262 20 10 DGCDHN CCN(CC[NH2+][C@@H]1CCc2cccc([O-])c21)CCC(F)(F)F ZINC000834783307 629779449 /nfs/dbraw/zinc/77/94/49/629779449.db2.gz FGNFFQUARCSRNA-CYBMUJFWSA-N 0 3 316.367 3.243 20 10 DGCDHN C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834799244 629782066 /nfs/dbraw/zinc/78/20/66/629782066.db2.gz XQNAJHBXLRGSHV-ZHRRBRCNSA-N 0 3 315.438 3.048 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCO[C@@H](c3ccncc3)C1)CC2 ZINC000834895079 629799995 /nfs/dbraw/zinc/79/99/95/629799995.db2.gz XDLXYAVFJGGSSX-LZLYRXPVSA-N 0 3 310.397 3.284 20 10 DGCDHN CC[C@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC ZINC000834909763 629806466 /nfs/dbraw/zinc/80/64/66/629806466.db2.gz ATGNGCNLOXEEJI-QAPCUYQASA-N 0 3 317.477 3.242 20 10 DGCDHN CC[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC ZINC000834909760 629806691 /nfs/dbraw/zinc/80/66/91/629806691.db2.gz ATGNGCNLOXEEJI-MAUKXSAKSA-N 0 3 317.477 3.242 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000835059013 629839702 /nfs/dbraw/zinc/83/97/02/629839702.db2.gz FAKYXSRMUWQCSK-LLVKDONJSA-N 0 3 313.825 3.349 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccccc1[O-] ZINC000840881067 630371860 /nfs/dbraw/zinc/37/18/60/630371860.db2.gz NLUJEESTJQLWQZ-YOEHRIQHSA-N 0 3 303.377 3.348 20 10 DGCDHN CCn1ccnc1NCc1cc(C)cc(Br)c1O ZINC000840888058 630373093 /nfs/dbraw/zinc/37/30/93/630373093.db2.gz WHZGAVUYQVVMJR-UHFFFAOYSA-N 0 3 310.195 3.292 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000840892593 630373948 /nfs/dbraw/zinc/37/39/48/630373948.db2.gz BKOGXSSGPWBYGV-MPGHIAIKSA-N 0 3 312.461 3.484 20 10 DGCDHN Cc1occc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000840907228 630375563 /nfs/dbraw/zinc/37/55/63/630375563.db2.gz AXAZAINTIAUHEN-KRWDZBQOSA-N 0 3 301.386 3.475 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccnc(OC(F)F)c1 ZINC000840943344 630381856 /nfs/dbraw/zinc/38/18/56/630381856.db2.gz NOTWLMWCMOQQEW-UHFFFAOYSA-N 0 3 321.371 3.347 20 10 DGCDHN CCCC[C@H](CN)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841030759 630398165 /nfs/dbraw/zinc/39/81/65/630398165.db2.gz QKROSDLOAJVPMZ-GFCCVEGCSA-N 0 3 315.255 3.070 20 10 DGCDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841298324 630424598 /nfs/dbraw/zinc/42/45/98/630424598.db2.gz ADTBJRFFWLMIBO-SWLSCSKDSA-N 0 3 316.405 3.113 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccccc1[O-] ZINC000841763740 630463210 /nfs/dbraw/zinc/46/32/10/630463210.db2.gz QMQBTLRABMVKTA-HNNXBMFYSA-N 0 3 307.434 3.001 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](CO)CC2CCCCC2)c([O-])c1 ZINC000841893083 630474041 /nfs/dbraw/zinc/47/40/41/630474041.db2.gz DSELCACQYFMVHE-MRXNPFEDSA-N 0 3 307.434 3.212 20 10 DGCDHN CCC[N@H+](CC[S@](=O)c1ccccc1)Cc1ccccc1[O-] ZINC000104682351 630507551 /nfs/dbraw/zinc/50/75/51/630507551.db2.gz AYZJXVYJRWZMQB-JOCHJYFZSA-N 0 3 317.454 3.412 20 10 DGCDHN CCC[N@@H+](CC[S@](=O)c1ccccc1)Cc1ccccc1[O-] ZINC000104682351 630507554 /nfs/dbraw/zinc/50/75/54/630507554.db2.gz AYZJXVYJRWZMQB-JOCHJYFZSA-N 0 3 317.454 3.412 20 10 DGCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCc1cccs1 ZINC000842907925 630592721 /nfs/dbraw/zinc/59/27/21/630592721.db2.gz IJPOVEKZYUSWRF-IUODEOHRSA-N 0 3 318.442 3.199 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000843415908 630654389 /nfs/dbraw/zinc/65/43/89/630654389.db2.gz FAHHJNPLMLMLKX-HOTGVXAUSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000843415908 630654391 /nfs/dbraw/zinc/65/43/91/630654391.db2.gz FAHHJNPLMLMLKX-HOTGVXAUSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc([C@@H](C)NCc2cccc3c2OCCO3)c1O ZINC000846151717 631212226 /nfs/dbraw/zinc/21/22/26/631212226.db2.gz FOIPNGPOULOYPE-GFCCVEGCSA-N 0 3 315.369 3.023 20 10 DGCDHN COc1cccc([C@@H](C)NCc2ccnc(OC(F)F)c2)c1O ZINC000846167921 631213235 /nfs/dbraw/zinc/21/32/35/631213235.db2.gz ODRVQJLCEMUBKZ-SNVBAGLBSA-N 0 3 324.327 3.248 20 10 DGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC23CC3)c1[O-] ZINC000848553926 631690756 /nfs/dbraw/zinc/69/07/56/631690756.db2.gz RNBQOBXQODYQCL-PELKAZGASA-N 0 3 312.207 3.366 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000848558472 631692312 /nfs/dbraw/zinc/69/23/12/631692312.db2.gz QKHMLLKXOOVTTG-LISAXSMJSA-N 0 3 320.477 3.239 20 10 DGCDHN CCc1cccc(CN2CCN(c3cccs3)CC2)c1O ZINC000848888659 631772808 /nfs/dbraw/zinc/77/28/08/631772808.db2.gz YIZSAVLBGLCUFA-UHFFFAOYSA-N 0 3 302.443 3.338 20 10 DGCDHN CCc1cccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1O ZINC000848905291 631781028 /nfs/dbraw/zinc/78/10/28/631781028.db2.gz GGHJGJPEXCQRGX-NWDGAFQWSA-N 0 3 302.422 3.437 20 10 DGCDHN CCc1cccc(CN2CCC3(C2)Oc2ccccc2O3)c1O ZINC000848912411 631784123 /nfs/dbraw/zinc/78/41/23/631784123.db2.gz QUPMXRNOLZYQTC-UHFFFAOYSA-N 0 3 311.381 3.328 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1[O-] ZINC000848925604 631790084 /nfs/dbraw/zinc/79/00/84/631790084.db2.gz AHFFJHHECFGJRC-HOTGVXAUSA-N 0 3 303.789 3.102 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1F ZINC000848925321 631790091 /nfs/dbraw/zinc/79/00/91/631790091.db2.gz SQQAWYJYNJEUSP-MRXNPFEDSA-N 0 3 306.425 3.425 20 10 DGCDHN COc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c([O-])c1 ZINC000849024986 631810365 /nfs/dbraw/zinc/81/03/65/631810365.db2.gz IMAUUURMRGEEKV-UHFFFAOYSA-N 0 3 311.385 3.026 20 10 DGCDHN CN(C)c1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000849351928 631902008 /nfs/dbraw/zinc/90/20/08/631902008.db2.gz FUSXQGDKRNTLJB-LJQANCHMSA-N 0 3 311.429 3.026 20 10 DGCDHN COc1ccc(N2CC[C@H](NCc3ccccc3F)C2)cc1 ZINC000850345556 632119801 /nfs/dbraw/zinc/11/98/01/632119801.db2.gz DUOFQGHBFPXQMW-HNNXBMFYSA-N 0 3 300.377 3.203 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850388280 632135815 /nfs/dbraw/zinc/13/58/15/632135815.db2.gz KQSZXONWBVNWOT-RBUKOAKNSA-N 0 3 309.409 3.452 20 10 DGCDHN CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1)c1ccc(C)cc1[O-] ZINC000850501810 632173481 /nfs/dbraw/zinc/17/34/81/632173481.db2.gz POIIIHFHXCFGCK-MXSMSXNCSA-N 0 3 321.461 3.307 20 10 DGCDHN COC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccc(OC)c1 ZINC000850515177 632176167 /nfs/dbraw/zinc/17/61/67/632176167.db2.gz UBCCMHJETZWKAD-DYVFJYSZSA-N 0 3 301.386 3.439 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2c(C3CC3)cnn2C)c2c1c(F)ccc2[O-] ZINC000850535601 632184910 /nfs/dbraw/zinc/18/49/10/632184910.db2.gz XRRHKDLLUYEDOC-YGRLFVJLSA-N 0 3 315.392 3.480 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c([O-])c1 ZINC000850540582 632186697 /nfs/dbraw/zinc/18/66/97/632186697.db2.gz NHESMJQFDMFLSP-LESCRADOSA-N 0 3 313.445 3.496 20 10 DGCDHN Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3cccc([O-])c32)cn1 ZINC000850541293 632186866 /nfs/dbraw/zinc/18/68/66/632186866.db2.gz UVXFYSGSGHELJR-YESZJQIVSA-N 0 3 311.429 3.114 20 10 DGCDHN CNC(=O)CC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCCCC1 ZINC000850558116 632192718 /nfs/dbraw/zinc/19/27/18/632192718.db2.gz ZOCZIYMPLCBVBH-AWEZNQCLSA-N 0 3 304.434 3.129 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000850559228 632194043 /nfs/dbraw/zinc/19/40/43/632194043.db2.gz YFNNXGSRUWZDKS-CABCVRRESA-N 0 3 318.461 3.307 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000850559229 632194064 /nfs/dbraw/zinc/19/40/64/632194064.db2.gz YFNNXGSRUWZDKS-GJZGRUSLSA-N 0 3 318.461 3.307 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c([O-])c1 ZINC000850573965 632199069 /nfs/dbraw/zinc/19/90/69/632199069.db2.gz UJOFPRJKWMGXKM-AWEZNQCLSA-N 0 3 304.434 3.177 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)c([O-])c1 ZINC000185252759 660211509 /nfs/dbraw/zinc/21/15/09/660211509.db2.gz MTPYJOUTWIYSLH-HNNXBMFYSA-N 0 3 312.413 3.058 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929976233 661355087 /nfs/dbraw/zinc/35/50/87/661355087.db2.gz MKYPESAXGKCUEG-JSGCOSHPSA-N 0 3 303.324 3.324 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929976233 661355089 /nfs/dbraw/zinc/35/50/89/661355089.db2.gz MKYPESAXGKCUEG-JSGCOSHPSA-N 0 3 303.324 3.324 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1[O-] ZINC000186750517 660573031 /nfs/dbraw/zinc/57/30/31/660573031.db2.gz BKRQDCHWJYWJSA-BBRMVZONSA-N 0 3 320.433 3.300 20 10 DGCDHN CN(C)c1ccc(CN(C)C[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000792776924 660983691 /nfs/dbraw/zinc/98/36/91/660983691.db2.gz KLYGKESFVHNRGL-CQSZACIVSA-N 0 3 316.367 3.382 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(OCC(F)F)cc2)c([O-])c1 ZINC000793387637 661029355 /nfs/dbraw/zinc/02/93/55/661029355.db2.gz JEDPHZPAGWOQFY-UHFFFAOYSA-N 0 3 323.339 3.335 20 10 DGCDHN C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@H](C2CC2)O1 ZINC000794661320 661096645 /nfs/dbraw/zinc/09/66/45/661096645.db2.gz ZCRXWSVQQYBNAG-ORAYPTAESA-N 0 3 301.430 3.270 20 10 DGCDHN COc1ccc2ccc(O)c(CN3C[C@H](C)OC[C@H]3C)c2c1 ZINC000043751591 655717927 /nfs/dbraw/zinc/71/79/27/655717927.db2.gz BRBIVJKQPFIOQF-OLZOCXBDSA-N 0 3 301.386 3.163 20 10 DGCDHN C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000309696839 655876195 /nfs/dbraw/zinc/87/61/95/655876195.db2.gz DSSPEYWAPNZCCC-QAPCUYQASA-N 0 3 310.441 3.490 20 10 DGCDHN C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000184912849 656122142 /nfs/dbraw/zinc/12/21/42/656122142.db2.gz FWZQUXSFTPKREJ-MCIONIFRSA-N 0 3 324.440 3.070 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188807639 656149095 /nfs/dbraw/zinc/14/90/95/656149095.db2.gz YNZCGZBFNFYOAI-BXUZGUMPSA-N 0 3 321.314 3.105 20 10 DGCDHN Cc1cncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000181827777 656385057 /nfs/dbraw/zinc/38/50/57/656385057.db2.gz XHUUFXCZXHKAEO-MRXNPFEDSA-N 0 3 311.429 3.077 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(Cl)c1 ZINC000840946000 656580720 /nfs/dbraw/zinc/58/07/20/656580720.db2.gz FELNHNXLAMFXCT-XJKSGUPXSA-N 0 3 308.853 3.413 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000320153769 656847874 /nfs/dbraw/zinc/84/78/74/656847874.db2.gz JVIAYRHARFFHIF-CQSZACIVSA-N 0 3 318.461 3.388 20 10 DGCDHN CCCCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1(C)C ZINC000236866341 656937115 /nfs/dbraw/zinc/93/71/15/656937115.db2.gz SXGIUKFTJVRVGH-IRXDYDNUSA-N 0 3 307.434 3.474 20 10 DGCDHN Cc1ncccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000237509859 656962963 /nfs/dbraw/zinc/96/29/63/656962963.db2.gz DAFZLZYGPWYKPV-HNNXBMFYSA-N 0 3 311.429 3.077 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000155815397 658850386 /nfs/dbraw/zinc/85/03/86/658850386.db2.gz AMGJHNVOFOXYQL-DZGCQCFKSA-N 0 3 320.433 3.442 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000164210873 658921699 /nfs/dbraw/zinc/92/16/99/658921699.db2.gz LRGBHEDNKIYZJU-GOSISDBHSA-N 0 3 324.424 3.072 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)N2CCCCC2)c1[O-] ZINC000228671715 659202087 /nfs/dbraw/zinc/20/20/87/659202087.db2.gz MWXLNXXHOSMTBE-LBPRGKRZSA-N 0 3 312.841 3.018 20 10 DGCDHN CN(C)C(=O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000171127641 659260937 /nfs/dbraw/zinc/26/09/37/659260937.db2.gz XOBOKLUWKRIJJO-UHFFFAOYSA-N 0 3 320.477 3.165 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1ccns1)C[C@@H]1CCCO1 ZINC000929970726 659867779 /nfs/dbraw/zinc/86/77/79/659867779.db2.gz KMYGDRADSTUWEY-HNNXBMFYSA-N 0 3 318.442 3.072 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1ccns1)C[C@@H]1CCCO1 ZINC000929970726 659867786 /nfs/dbraw/zinc/86/77/86/659867786.db2.gz KMYGDRADSTUWEY-HNNXBMFYSA-N 0 3 318.442 3.072 20 10 DGCDHN CCC[N@H+](CCC(=O)NC1CCCC1)Cc1ccccc1[O-] ZINC000068973533 659970732 /nfs/dbraw/zinc/97/07/32/659970732.db2.gz VWDVPKWATCDZDB-UHFFFAOYSA-N 0 3 304.434 3.053 20 10 DGCDHN CCC[N@@H+](CCC(=O)NC1CCCC1)Cc1ccccc1[O-] ZINC000068973533 659970734 /nfs/dbraw/zinc/97/07/34/659970734.db2.gz VWDVPKWATCDZDB-UHFFFAOYSA-N 0 3 304.434 3.053 20 10 DGCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])C(=O)NCC1CCCCC1 ZINC000180839871 659972792 /nfs/dbraw/zinc/97/27/92/659972792.db2.gz UCBZGHIYTDKGMA-UHFFFAOYSA-N 0 3 322.424 3.096 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000180910044 659973612 /nfs/dbraw/zinc/97/36/12/659973612.db2.gz MKLQASNYCCLRAN-OAHLLOKOSA-N 0 3 309.381 3.087 20 10 DGCDHN C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccccc1[O-] ZINC000183604368 660126078 /nfs/dbraw/zinc/12/60/78/660126078.db2.gz FJMYGKAPJGYVKN-CQSZACIVSA-N 0 3 304.434 3.129 20 10 DGCDHN C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccccc1[O-] ZINC000183625174 660126596 /nfs/dbraw/zinc/12/65/96/660126596.db2.gz PXMZBRHKBCHNCK-ZDUSSCGKSA-N 0 3 309.369 3.336 20 10 DGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(C)c3)c2)CC1 ZINC000184268403 660161240 /nfs/dbraw/zinc/16/12/40/660161240.db2.gz MGMRIZVPFFYNQL-UHFFFAOYSA-N 0 3 323.440 3.389 20 10 DGCDHN CC[C@H]([NH2+]CCCOCC1CCOCC1)c1ccccc1[O-] ZINC000155960981 661855500 /nfs/dbraw/zinc/85/55/00/661855500.db2.gz AMSDEUQNKPFTQV-KRWDZBQOSA-N 0 3 307.434 3.266 20 10 DGCDHN COc1cccc(CN2CCN(c3cccc(C)c3)CC2)c1O ZINC000155974762 661856002 /nfs/dbraw/zinc/85/60/02/661856002.db2.gz NLINZLCTKLTHML-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN CCOC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000188002863 661911276 /nfs/dbraw/zinc/91/12/76/661911276.db2.gz TXIYPQLQGNYLJS-CYBMUJFWSA-N 0 3 301.814 3.205 20 10 DGCDHN C[C@H]1CN(c2ccccc2F)CCN1Cc1ccccc1O ZINC000188033041 661911648 /nfs/dbraw/zinc/91/16/48/661911648.db2.gz WXWLNCYVUYFAQU-AWEZNQCLSA-N 0 3 300.377 3.242 20 10 DGCDHN Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000191585661 662073208 /nfs/dbraw/zinc/07/32/08/662073208.db2.gz HERLZNQUANFHEM-CJNGLKHVSA-N 0 3 303.377 3.094 20 10 DGCDHN CCN(CC[NH2+][C@H]1CCc2cccc([O-])c21)C(=O)OC(C)(C)C ZINC000390816918 685206515 /nfs/dbraw/zinc/20/65/15/685206515.db2.gz NAASPDNYEHRKSR-AWEZNQCLSA-N 0 3 320.433 3.226 20 10 DGCDHN CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000391724912 685211730 /nfs/dbraw/zinc/21/17/30/685211730.db2.gz GCVGCMXWSRLAQY-OAHLLOKOSA-N 0 3 316.445 3.006 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000397858617 685233008 /nfs/dbraw/zinc/23/30/08/685233008.db2.gz XMMUJHJGPAJLGS-GJZGRUSLSA-N 0 3 320.433 3.174 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000397858618 685233104 /nfs/dbraw/zinc/23/31/04/685233104.db2.gz XMMUJHJGPAJLGS-HUUCEWRRSA-N 0 3 320.433 3.174 20 10 DGCDHN CC[C@H](C)C[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001576972539 1191877727 /nfs/dbraw/zinc/87/77/27/1191877727.db2.gz VWXBLBPIMJIDKM-KSSFIOAISA-N 0 3 317.477 3.007 20 10 DGCDHN Cc1ccsc1[C@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC001620825751 1192219139 /nfs/dbraw/zinc/21/91/39/1192219139.db2.gz HZLHZMCZHFHMJU-AWEZNQCLSA-N 0 3 308.422 3.085 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC(OC(C)(C)C)CC2)c([O-])c1 ZINC001663726123 1196934931 /nfs/dbraw/zinc/93/49/31/1196934931.db2.gz MQLWNYGVVJAJEP-UHFFFAOYSA-N 0 3 307.434 3.489 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4CSC[C@@H]4C3)c2c1 ZINC001331051171 1178124000 /nfs/dbraw/zinc/12/40/00/1178124000.db2.gz KDQLDQBTZZKUDE-OKILXGFUSA-N 0 3 315.438 3.349 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4CSC[C@@H]4C3)c2c1 ZINC001331051171 1178124005 /nfs/dbraw/zinc/12/40/05/1178124005.db2.gz KDQLDQBTZZKUDE-OKILXGFUSA-N 0 3 315.438 3.349 20 10 DGCDHN COc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)c(O)c1OC ZINC001355321780 1181035864 /nfs/dbraw/zinc/03/58/64/1181035864.db2.gz SOTKNTCHENWCIH-BDJLRTHQSA-N 0 3 315.369 3.021 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC(C)(C)c2cccnc2)c([O-])c1 ZINC001474583524 1183945002 /nfs/dbraw/zinc/94/50/02/1183945002.db2.gz KNAQSERNTWFFSE-UHFFFAOYSA-N 0 3 300.402 3.172 20 10 DGCDHN C[C@H]1CC[C@@](CO)([NH2+]Cc2cc(F)ccc2[O-])c2ccccc21 ZINC001474757746 1183973889 /nfs/dbraw/zinc/97/38/89/1183973889.db2.gz ZGEULSRFLJPTMP-DJJJIMSYSA-N 0 3 315.388 3.406 20 10 DGCDHN CC(C)C[N@H+](C)CCCNCc1c([O-])ccc(Cl)c1F ZINC001656569720 1196050707 /nfs/dbraw/zinc/05/07/07/1196050707.db2.gz RRFWDSVPNYYDDS-UHFFFAOYSA-N 0 3 302.821 3.252 20 10 DGCDHN CC(C)C[N@@H+](C)CCCNCc1c([O-])ccc(Cl)c1F ZINC001656569720 1196050711 /nfs/dbraw/zinc/05/07/11/1196050711.db2.gz RRFWDSVPNYYDDS-UHFFFAOYSA-N 0 3 302.821 3.252 20 10 DGCDHN CC(C)c1ccc([O-])c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC001560845479 1189392858 /nfs/dbraw/zinc/39/28/58/1189392858.db2.gz VKAHZSQSJKOYIA-HKUYNNGSSA-N 0 3 303.446 3.402 20 10 DGCDHN COc1ccc(N(C)CCN(C)Cc2cccn2C2CC2)cc1 ZINC001560917763 1189405421 /nfs/dbraw/zinc/40/54/21/1189405421.db2.gz YJPSETJZDWUQKG-UHFFFAOYSA-N 0 3 313.445 3.400 20 10 DGCDHN CN(C)c1ccc(CNCc2cccc3nsnc32)cc1F ZINC001620756254 1191439292 /nfs/dbraw/zinc/43/92/92/1191439292.db2.gz IKHJZRBCMONVPZ-UHFFFAOYSA-N 0 3 316.405 3.186 20 10 DGCDHN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC001620538350 1193776674 /nfs/dbraw/zinc/77/66/74/1193776674.db2.gz WKCAWCGZVNIKLN-PMACEKPBSA-N 0 3 307.441 3.216 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001621114672 1193804578 /nfs/dbraw/zinc/80/45/78/1193804578.db2.gz QVFJEIWSNOEESB-DOTOQJQBSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001621114672 1193804582 /nfs/dbraw/zinc/80/45/82/1193804582.db2.gz QVFJEIWSNOEESB-DOTOQJQBSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[N@H+](CCN(CC)CC)Cc1cc(F)c(F)cc1[O-] ZINC001621232996 1193819800 /nfs/dbraw/zinc/81/98/00/1193819800.db2.gz CQQACKRPEXZLBX-UHFFFAOYSA-N 0 3 300.393 3.224 20 10 DGCDHN CCC[N@@H+](CCN(CC)CC)Cc1cc(F)c(F)cc1[O-] ZINC001621232996 1193819803 /nfs/dbraw/zinc/81/98/03/1193819803.db2.gz CQQACKRPEXZLBX-UHFFFAOYSA-N 0 3 300.393 3.224 20 10 DGCDHN Cc1c2ccccc2n(C)c1CN[C@@H]1c2ccccc2C[C@H]1O ZINC001650707592 1195374271 /nfs/dbraw/zinc/37/42/71/1195374271.db2.gz DSDVNXLEAKKQQZ-WOJBJXKFSA-N 0 3 306.409 3.235 20 10 DGCDHN Cc1ccc(F)cc1NC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC001652732564 1195642766 /nfs/dbraw/zinc/64/27/66/1195642766.db2.gz VRNRSGRXCWJTPU-UHFFFAOYSA-N 0 3 316.376 3.300 20 10 DGCDHN Cc1ccc(F)cc1NC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC001652732564 1195642767 /nfs/dbraw/zinc/64/27/67/1195642767.db2.gz VRNRSGRXCWJTPU-UHFFFAOYSA-N 0 3 316.376 3.300 20 10 DGCDHN CCOc1ccc(N2CCN(C[C@H](OCC)C3CC3)CC2)cc1 ZINC001652963904 1195675826 /nfs/dbraw/zinc/67/58/26/1195675826.db2.gz CSZKCHGOWJTMIY-IBGZPJMESA-N 0 3 318.461 3.022 20 10 DGCDHN CN(C)c1ccc(CNCc2ccc(N3CCCCC3)cc2)cn1 ZINC001655259504 1195896391 /nfs/dbraw/zinc/89/63/91/1195896391.db2.gz LMEFOFABIOKCJM-UHFFFAOYSA-N 0 3 324.472 3.428 20 10 DGCDHN CN(C)c1ccc(/C=C/CN(C)CCC(=O)OC(C)(C)C)cc1 ZINC001657220903 1196119679 /nfs/dbraw/zinc/11/96/79/1196119679.db2.gz PQTILBDWPDFYBM-BQYQJAHWSA-N 0 3 318.461 3.429 20 10 DGCDHN COc1ccc(CNC2(C(=O)NCC(C)C)CCCC2)cc1C ZINC001657654107 1196166742 /nfs/dbraw/zinc/16/67/42/1196166742.db2.gz PEBSPQGHUAKYDP-UHFFFAOYSA-N 0 3 318.461 3.178 20 10 DGCDHN CN(C)CC[N@@H+](Cc1cc(F)ccc1[O-])CC1CCCCC1 ZINC001658004330 1196200703 /nfs/dbraw/zinc/20/07/03/1196200703.db2.gz XWMQFNMGYWIVES-UHFFFAOYSA-N 0 3 308.441 3.475 20 10 DGCDHN CN(C)CC[N@H+](Cc1cc(F)ccc1[O-])CC1CCCCC1 ZINC001658004330 1196200705 /nfs/dbraw/zinc/20/07/05/1196200705.db2.gz XWMQFNMGYWIVES-UHFFFAOYSA-N 0 3 308.441 3.475 20 10 DGCDHN COC(=O)c1c(CNCC2=CCCC2)c2cc(F)ccc2n1C ZINC001658591962 1196278043 /nfs/dbraw/zinc/27/80/43/1196278043.db2.gz PPPNHLNSAHKKCX-UHFFFAOYSA-N 0 3 316.376 3.304 20 10 DGCDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001659652435 1196402510 /nfs/dbraw/zinc/40/25/10/1196402510.db2.gz FKXZVSJRVQIJLZ-OCCSQVGLSA-N 0 3 314.223 3.120 20 10 DGCDHN COc1cc(C)c(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c([O-])c1 ZINC001659976951 1196433925 /nfs/dbraw/zinc/43/39/25/1196433925.db2.gz ISMHFRGISBFJTN-ZDUSSCGKSA-N 0 3 313.397 3.322 20 10 DGCDHN CN(C)c1cc(F)c(CNCC2(CO)CCCCC2)cc1F ZINC001661651703 1196628146 /nfs/dbraw/zinc/62/81/46/1196628146.db2.gz IDLXFOHRNXPCJQ-UHFFFAOYSA-N 0 3 312.404 3.063 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)CCC(C)(C)C)c1[O-] ZINC001664465972 1197003193 /nfs/dbraw/zinc/00/31/93/1197003193.db2.gz WQXYHSOJCOEWOF-ZDUSSCGKSA-N 0 3 315.841 3.331 20 10 DGCDHN COc1ccc(CNC/C=C/CNC(=O)[C@H](C)C(C)C)cc1C ZINC001669069325 1197439814 /nfs/dbraw/zinc/43/98/14/1197439814.db2.gz GGMGTJQVRHCYRD-FYCOFBDGSA-N 0 3 318.461 3.058 20 10 DGCDHN CCOc1ccc2c(c1)CN(Cc1cccc(OC)c1O)CC2 ZINC000092666597 1198595077 /nfs/dbraw/zinc/59/50/77/1198595077.db2.gz GOEOWPOQIYLXPK-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001140057865 1081777212 /nfs/dbraw/zinc/77/72/12/1081777212.db2.gz QMYMYQPAPHICBX-IINYFYTJSA-N 0 3 321.314 3.057 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001140057865 1081777217 /nfs/dbraw/zinc/77/72/17/1081777217.db2.gz QMYMYQPAPHICBX-IINYFYTJSA-N 0 3 321.314 3.057 20 10 DGCDHN CN(C)c1ccc(CNCc2ccc3nccnc3c2)cc1F ZINC001648966091 1086491754 /nfs/dbraw/zinc/49/17/54/1086491754.db2.gz YFCBDUJGADHZIF-UHFFFAOYSA-N 0 3 310.376 3.125 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@](C)(CO)C2)cc1F ZINC000093340751 1087087868 /nfs/dbraw/zinc/08/78/68/1087087868.db2.gz UOHSCFNUHNTPIU-SFHVURJKSA-N 0 3 308.441 3.266 20 10 DGCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\C(C)(C)C)N(C)C)cc1 ZINC001158718424 1087987753 /nfs/dbraw/zinc/98/77/53/1087987753.db2.gz XRRZHGJDXWOLKH-MUSGIIIZSA-N 0 3 317.477 3.074 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CC1CCCC1 ZINC001161134506 1089130261 /nfs/dbraw/zinc/13/02/61/1089130261.db2.gz AMNYWDCDIVEBLH-SFHVURJKSA-N 0 3 317.477 3.009 20 10 DGCDHN CN(C)c1ccc(CN(C)c2ccc(CN(C)C3CC3)cn2)cc1 ZINC001156921108 1089745822 /nfs/dbraw/zinc/74/58/22/1089745822.db2.gz SRGFFWLTJUOIQF-UHFFFAOYSA-N 0 3 324.472 3.378 20 10 DGCDHN CC[N@H+](Cc1ccc(CC(=O)OC)cc1)Cc1ccccc1[O-] ZINC001142910946 1090522642 /nfs/dbraw/zinc/52/26/42/1090522642.db2.gz UURFYCTZXAVJRE-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN CC[N@@H+](Cc1ccc(CC(=O)OC)cc1)Cc1ccccc1[O-] ZINC001142910946 1090522646 /nfs/dbraw/zinc/52/26/46/1090522646.db2.gz UURFYCTZXAVJRE-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN CC(C)(C)OC(=O)CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203558682 1090616096 /nfs/dbraw/zinc/61/60/96/1090616096.db2.gz VFQJCEYQUNJQLO-UHFFFAOYSA-N 0 3 305.418 3.336 20 10 DGCDHN COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccccc1[O-])C2 ZINC001203558683 1090616415 /nfs/dbraw/zinc/61/64/15/1090616415.db2.gz VHEOUICXFYXQHN-OAHLLOKOSA-N 0 3 313.397 3.181 20 10 DGCDHN COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1ccccc1[O-])C2 ZINC001203558683 1090616417 /nfs/dbraw/zinc/61/64/17/1090616417.db2.gz VHEOUICXFYXQHN-OAHLLOKOSA-N 0 3 313.397 3.181 20 10 DGCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550276 1090752802 /nfs/dbraw/zinc/75/28/02/1090752802.db2.gz PJFRYYKYKQIYKM-CQSZACIVSA-N 0 3 320.433 3.081 20 10 DGCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550276 1090752804 /nfs/dbraw/zinc/75/28/04/1090752804.db2.gz PJFRYYKYKQIYKM-CQSZACIVSA-N 0 3 320.433 3.081 20 10 DGCDHN C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1O ZINC001203547547 1090753304 /nfs/dbraw/zinc/75/33/04/1090753304.db2.gz PWLBJPSASOTRLU-OAHLLOKOSA-N 0 3 314.404 3.238 20 10 DGCDHN COc1ccc(CN2CCOC[C@H]2C2CCCCC2)c(O)c1 ZINC001203634531 1090770142 /nfs/dbraw/zinc/77/01/42/1090770142.db2.gz KOSSUPUWHMYWKA-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1ccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c([O-])c1 ZINC001203634531 1090770143 /nfs/dbraw/zinc/77/01/43/1090770143.db2.gz KOSSUPUWHMYWKA-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1ccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)c([O-])c1 ZINC001203634531 1090770144 /nfs/dbraw/zinc/77/01/44/1090770144.db2.gz KOSSUPUWHMYWKA-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN Cc1cnccc1O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203665433 1090776227 /nfs/dbraw/zinc/77/62/27/1090776227.db2.gz JUDSMXOIPDYIMC-OAHLLOKOSA-N 0 3 318.804 3.402 20 10 DGCDHN Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203665433 1090776229 /nfs/dbraw/zinc/77/62/29/1090776229.db2.gz JUDSMXOIPDYIMC-OAHLLOKOSA-N 0 3 318.804 3.402 20 10 DGCDHN CN(C)c1ccc(CN2CCCC[C@](O)(C(F)(F)F)C2)cc1 ZINC001203930707 1090841055 /nfs/dbraw/zinc/84/10/55/1090841055.db2.gz FCYWKHQQHBNSLP-OAHLLOKOSA-N 0 3 316.367 3.032 20 10 DGCDHN Cc1ccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC001203930490 1090841203 /nfs/dbraw/zinc/84/12/03/1090841203.db2.gz VPPINWNBJDVLAI-UHFFFAOYSA-N 0 3 309.457 3.383 20 10 DGCDHN Cc1ccccc1OC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204272035 1090937301 /nfs/dbraw/zinc/93/73/01/1090937301.db2.gz IBCKRJKCDPTPRG-UHFFFAOYSA-N 0 3 313.397 3.450 20 10 DGCDHN COc1ccc(C2=CC[N@H+](Cc3ccc(O)cc3[O-])CC2)cc1 ZINC001204277789 1090938135 /nfs/dbraw/zinc/93/81/35/1090938135.db2.gz LZADYDATUROMJE-UHFFFAOYSA-N 0 3 311.381 3.396 20 10 DGCDHN COc1ccc(C2=CC[N@@H+](Cc3ccc(O)cc3[O-])CC2)cc1 ZINC001204277789 1090938137 /nfs/dbraw/zinc/93/81/37/1090938137.db2.gz LZADYDATUROMJE-UHFFFAOYSA-N 0 3 311.381 3.396 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001204275217 1090938320 /nfs/dbraw/zinc/93/83/20/1090938320.db2.gz ZMIUVFFHGKMYTR-DKSSEZFCSA-N 0 3 317.429 3.125 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001204275217 1090938323 /nfs/dbraw/zinc/93/83/23/1090938323.db2.gz ZMIUVFFHGKMYTR-DKSSEZFCSA-N 0 3 317.429 3.125 20 10 DGCDHN CCCNC(=O)CN(CCC)Cc1cc(C(C)C)ccc1O ZINC001204721713 1091022638 /nfs/dbraw/zinc/02/26/38/1091022638.db2.gz NLZDYKUKBJHLOH-UHFFFAOYSA-N 0 3 306.450 3.254 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@]3(CCCO3)C2)c(OC)c1 ZINC001138385851 1091161265 /nfs/dbraw/zinc/16/12/65/1091161265.db2.gz AXRPEOYMQLWUEC-LJQANCHMSA-N 0 3 318.461 3.296 20 10 DGCDHN CCN(CC)c1ccc(CN(C)[C@H]2CCCOC2)c(OC)c1 ZINC001138392030 1091165685 /nfs/dbraw/zinc/16/56/85/1091165685.db2.gz MXWAVXKLHSQVMH-KRWDZBQOSA-N 0 3 306.450 3.152 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc3c(ccnc3Cl)o2)c([O-])c1 ZINC001205517555 1091240294 /nfs/dbraw/zinc/24/02/94/1091240294.db2.gz SJKPOFBRKJDQCE-UHFFFAOYSA-N 0 3 318.760 3.485 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H](F)C2)cc1Cl ZINC001205896130 1091398522 /nfs/dbraw/zinc/39/85/22/1091398522.db2.gz WLIFCSQEIHOIDD-ZIAGYGMSSA-N 0 3 314.832 3.214 20 10 DGCDHN COC(=O)c1cccc2[nH]cc(C[N@H+](C)Cc3ccccc3[O-])c21 ZINC001139720765 1091653342 /nfs/dbraw/zinc/65/33/42/1091653342.db2.gz NZOBMYNQUGYNTE-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN COC(=O)c1cccc2[nH]cc(C[N@@H+](C)Cc3ccccc3[O-])c21 ZINC001139720765 1091653355 /nfs/dbraw/zinc/65/33/55/1091653355.db2.gz NZOBMYNQUGYNTE-UHFFFAOYSA-N 0 3 324.380 3.292 20 10 DGCDHN C[C@@H]1CC[C@H](C[NH3+])CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001206810557 1091749465 /nfs/dbraw/zinc/74/94/65/1091749465.db2.gz NYFFQMSYQRGLKF-NXEZZACHSA-N 0 3 303.233 3.258 20 10 DGCDHN Oc1ccc(F)cc1CN1CCC(O)(c2ccccc2F)CC1 ZINC001140055637 1091751164 /nfs/dbraw/zinc/75/11/64/1091751164.db2.gz NTPYZTONXJKGRR-UHFFFAOYSA-N 0 3 319.351 3.154 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001140055726 1091751219 /nfs/dbraw/zinc/75/12/19/1091751219.db2.gz RCOCITVNVJHXGF-INIZCTEOSA-N 0 3 305.324 3.324 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001140055726 1091751226 /nfs/dbraw/zinc/75/12/26/1091751226.db2.gz RCOCITVNVJHXGF-INIZCTEOSA-N 0 3 305.324 3.324 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001140055561 1091751760 /nfs/dbraw/zinc/75/17/60/1091751760.db2.gz KZPJAHSGCALSSA-KRWDZBQOSA-N 0 3 301.361 3.322 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001140055561 1091751765 /nfs/dbraw/zinc/75/17/65/1091751765.db2.gz KZPJAHSGCALSSA-KRWDZBQOSA-N 0 3 301.361 3.322 20 10 DGCDHN Oc1ccc(F)cc1CN1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001140055689 1091752005 /nfs/dbraw/zinc/75/20/05/1091752005.db2.gz PLGFIPCBEBKKSV-CQSZACIVSA-N 0 3 323.314 3.463 20 10 DGCDHN C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc(F)ccc1[O-] ZINC001140060448 1091753630 /nfs/dbraw/zinc/75/36/30/1091753630.db2.gz WIRXYMFTQKOPTI-UHFFFAOYSA-N 0 3 311.360 3.349 20 10 DGCDHN C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc(F)ccc1[O-] ZINC001140060448 1091753639 /nfs/dbraw/zinc/75/36/39/1091753639.db2.gz WIRXYMFTQKOPTI-UHFFFAOYSA-N 0 3 311.360 3.349 20 10 DGCDHN CC(C)(C)CC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140060417 1091754262 /nfs/dbraw/zinc/75/42/62/1091754262.db2.gz VGGQFKWGNALSSW-UHFFFAOYSA-N 0 3 322.424 3.048 20 10 DGCDHN Cc1cnc(N2CCN(Cc3c(C)ccc(C)c3O)CC2)s1 ZINC001140181592 1091792994 /nfs/dbraw/zinc/79/29/94/1091792994.db2.gz DKSGJLMLPLHXCS-UHFFFAOYSA-N 0 3 317.458 3.096 20 10 DGCDHN Cc1c(O)ccc(CN2CCC(=O)[C@H](C)C23CCCC3)c1O ZINC001140751259 1091985459 /nfs/dbraw/zinc/98/54/59/1091985459.db2.gz PACUNDBQEQVUFA-ZDUSSCGKSA-N 0 3 303.402 3.130 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc(O)c(C)c2O)c(OC)c1 ZINC001140749211 1091986080 /nfs/dbraw/zinc/98/60/80/1091986080.db2.gz ROKVWBDWUREPCK-UHFFFAOYSA-N 0 3 317.385 3.055 20 10 DGCDHN CN(C)c1ccc(CN2CCC3(C[C@@H]3CCO)CC2)c(Cl)c1 ZINC001140922562 1092065465 /nfs/dbraw/zinc/06/54/65/1092065465.db2.gz UOLJEWRIUQTOIZ-HNNXBMFYSA-N 0 3 322.880 3.391 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001140954784 1092079682 /nfs/dbraw/zinc/07/96/82/1092079682.db2.gz ZAGRDKZEIYDHEF-KRWDZBQOSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c([O-])c1 ZINC001140954784 1092079689 /nfs/dbraw/zinc/07/96/89/1092079689.db2.gz ZAGRDKZEIYDHEF-KRWDZBQOSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c([O-])c1 ZINC001140953588 1092080016 /nfs/dbraw/zinc/08/00/16/1092080016.db2.gz CLLXAMKYTJIRFB-QZTJIDSGSA-N 0 3 308.425 3.269 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC001140953868 1092080797 /nfs/dbraw/zinc/08/07/97/1092080797.db2.gz ICFYVMDOFGSPRP-HUUCEWRRSA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC001140953868 1092080805 /nfs/dbraw/zinc/08/08/05/1092080805.db2.gz ICFYVMDOFGSPRP-HUUCEWRRSA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001209010789 1092622687 /nfs/dbraw/zinc/62/26/87/1092622687.db2.gz IKCHVWQEGOGMRM-KOMQPUFPSA-N 0 3 317.429 3.120 20 10 DGCDHN CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001209010789 1092622694 /nfs/dbraw/zinc/62/26/94/1092622694.db2.gz IKCHVWQEGOGMRM-KOMQPUFPSA-N 0 3 317.429 3.120 20 10 DGCDHN COC(CN(C)Cc1ccc(-n2c(C)ccc2C)cc1)OC ZINC001209520281 1092808199 /nfs/dbraw/zinc/80/81/99/1092808199.db2.gz UHMUDHGZIMTLJV-UHFFFAOYSA-N 0 3 302.418 3.145 20 10 DGCDHN CCC/C(C)=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882830 1094323308 /nfs/dbraw/zinc/32/33/08/1094323308.db2.gz VICJRMKBWVZKRP-DUVHGLKDSA-N 0 3 317.477 3.218 20 10 DGCDHN CCC(CC)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882649 1094323547 /nfs/dbraw/zinc/32/35/47/1094323547.db2.gz SPAFQZLCWFRDMH-SFHVURJKSA-N 0 3 319.493 3.298 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170908154 1094909398 /nfs/dbraw/zinc/90/93/98/1094909398.db2.gz MNSTWHVAZUSHTK-CYBMUJFWSA-N 0 3 303.789 3.398 20 10 DGCDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H](N)CC2CCC2)cc1 ZINC001218955766 1094913098 /nfs/dbraw/zinc/91/30/98/1094913098.db2.gz PERHCQFHRAPMNF-IBGZPJMESA-N 0 3 323.440 3.320 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1[O-] ZINC000315868145 1095139733 /nfs/dbraw/zinc/13/97/33/1095139733.db2.gz NAJRFSGWANYCKT-CYBMUJFWSA-N 0 3 304.434 3.080 20 10 DGCDHN Cc1nc2cc(C)ccn2c1CN1CCc2cccc(O)c2C1 ZINC001139678683 1095164483 /nfs/dbraw/zinc/16/44/83/1095164483.db2.gz CQOOYTUIEACYGY-UHFFFAOYSA-N 0 3 307.397 3.215 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222558489 1095667136 /nfs/dbraw/zinc/66/71/36/1095667136.db2.gz MFMKHVUKDVITIY-IRXDYDNUSA-N 0 3 314.816 3.117 20 10 DGCDHN CC[C@](C)(C(=O)OC)N(Cc1ccc(N(C)C)cc1)CC1CC1 ZINC001171371682 1096547569 /nfs/dbraw/zinc/54/75/69/1096547569.db2.gz YQBKVHVPJRTOOB-LJQANCHMSA-N 0 3 318.461 3.306 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171504783 1096913945 /nfs/dbraw/zinc/91/39/45/1096913945.db2.gz BBTAFKVZWXYGLN-LBPRGKRZSA-N 0 3 307.315 3.457 20 10 DGCDHN COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC001173712692 1097500393 /nfs/dbraw/zinc/50/03/93/1097500393.db2.gz TUNCBKKXAOWRAI-KBPBESRZSA-N 0 3 313.397 3.461 20 10 DGCDHN COc1ccc(Br)c(C[N@H+](C)CC(C)C)c1[O-] ZINC001231548702 1097777192 /nfs/dbraw/zinc/77/71/92/1097777192.db2.gz XQPIZBWIHWHPQJ-UHFFFAOYSA-N 0 3 302.212 3.251 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+](C)CC(C)C)c1[O-] ZINC001231548702 1097777193 /nfs/dbraw/zinc/77/71/93/1097777193.db2.gz XQPIZBWIHWHPQJ-UHFFFAOYSA-N 0 3 302.212 3.251 20 10 DGCDHN Cc1cc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)cc[nH+]1 ZINC001231912976 1097890288 /nfs/dbraw/zinc/89/02/88/1097890288.db2.gz BLPDACZITSSCBJ-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN Cc1cc(Br)cnc1CN(C)Cc1ccccc1O ZINC001232049830 1097926494 /nfs/dbraw/zinc/92/64/94/1097926494.db2.gz IEYCJVGVGCNSFA-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198260 1097963318 /nfs/dbraw/zinc/96/33/18/1097963318.db2.gz NTCXZOYMRBJCLS-CQSZACIVSA-N 0 3 308.853 3.409 20 10 DGCDHN Oc1cc(CN2CCC[C@H]2Cc2ccc(F)cc2)cc(O)c1O ZINC001233017591 1098204127 /nfs/dbraw/zinc/20/41/27/1098204127.db2.gz HTIJLXJXSUNQAJ-HNNXBMFYSA-N 0 3 317.360 3.150 20 10 DGCDHN CN(C)c1ccc(C[N@H+](C)Cc2cc(Cl)ncc2[O-])cc1 ZINC001233037674 1098210264 /nfs/dbraw/zinc/21/02/64/1098210264.db2.gz GOTRUJGCLBOWQA-UHFFFAOYSA-N 0 3 305.809 3.139 20 10 DGCDHN CN(C)c1ccc(C[N@@H+](C)Cc2cc(Cl)ncc2[O-])cc1 ZINC001233037674 1098210269 /nfs/dbraw/zinc/21/02/69/1098210269.db2.gz GOTRUJGCLBOWQA-UHFFFAOYSA-N 0 3 305.809 3.139 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c1[O-] ZINC001233287676 1098278477 /nfs/dbraw/zinc/27/84/77/1098278477.db2.gz CASBEPOUECGWID-MEDUHNTESA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c1[O-] ZINC001233287676 1098278481 /nfs/dbraw/zinc/27/84/81/1098278481.db2.gz CASBEPOUECGWID-MEDUHNTESA-N 0 3 313.825 3.037 20 10 DGCDHN CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455668 1098341512 /nfs/dbraw/zinc/34/15/12/1098341512.db2.gz UADKVALQSGGRFU-AWEZNQCLSA-N 0 3 316.367 3.326 20 10 DGCDHN CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455668 1098341516 /nfs/dbraw/zinc/34/15/16/1098341516.db2.gz UADKVALQSGGRFU-AWEZNQCLSA-N 0 3 316.367 3.326 20 10 DGCDHN Oc1cc(O)c(CN2CCC[C@@H]2c2cccc(F)c2)cc1O ZINC001233484900 1098346290 /nfs/dbraw/zinc/34/62/90/1098346290.db2.gz BNXDDLFGJDARNZ-CQSZACIVSA-N 0 3 303.333 3.280 20 10 DGCDHN C[C@@]1(CF)CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726854 1098416612 /nfs/dbraw/zinc/41/66/12/1098416612.db2.gz IVQMOPIKIQBFAT-ZDUSSCGKSA-N 0 3 307.287 3.472 20 10 DGCDHN C[C@@]1(CF)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726854 1098416614 /nfs/dbraw/zinc/41/66/14/1098416614.db2.gz IVQMOPIKIQBFAT-ZDUSSCGKSA-N 0 3 307.287 3.472 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)N(C)C[C@H]3C)c2c1 ZINC001234525434 1098580306 /nfs/dbraw/zinc/58/03/06/1098580306.db2.gz HMUYMZFFEPLWNW-UONOGXRCSA-N 0 3 314.429 3.078 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)N(C)C[C@H]3C)c2c1 ZINC001234525434 1098580317 /nfs/dbraw/zinc/58/03/17/1098580317.db2.gz HMUYMZFFEPLWNW-UONOGXRCSA-N 0 3 314.429 3.078 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@](C)(O)[C@@H](C)C3)c2c1 ZINC001234526249 1098580585 /nfs/dbraw/zinc/58/05/85/1098580585.db2.gz RMXBERSNCNWRHF-DJJJIMSYSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@](C)(O)[C@@H](C)C3)c2c1 ZINC001234526249 1098580594 /nfs/dbraw/zinc/58/05/94/1098580594.db2.gz RMXBERSNCNWRHF-DJJJIMSYSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C)[C@@](C)(O)C3)c2c1 ZINC001234526624 1098582333 /nfs/dbraw/zinc/58/23/33/1098582333.db2.gz XFNIJICNYLUGJB-YJYMSZOUSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C)[C@@](C)(O)C3)c2c1 ZINC001234526624 1098582340 /nfs/dbraw/zinc/58/23/40/1098582340.db2.gz XFNIJICNYLUGJB-YJYMSZOUSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCCCC34COC4)c2c1 ZINC001234553176 1098596160 /nfs/dbraw/zinc/59/61/60/1098596160.db2.gz YTULDYVJNQTUQI-UHFFFAOYSA-N 0 3 313.397 3.309 20 10 DGCDHN [O-]c1c(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)cccc1-c1ccccc1 ZINC001234993259 1098737840 /nfs/dbraw/zinc/73/78/40/1098737840.db2.gz XSZKLZCARJDPFX-YOEHRIQHSA-N 0 3 315.388 3.212 20 10 DGCDHN [O-]c1c(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)cccc1-c1ccccc1 ZINC001234993259 1098737845 /nfs/dbraw/zinc/73/78/45/1098737845.db2.gz XSZKLZCARJDPFX-YOEHRIQHSA-N 0 3 315.388 3.212 20 10 DGCDHN [O-]c1c(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001234993254 1098737938 /nfs/dbraw/zinc/73/79/38/1098737938.db2.gz XSZKLZCARJDPFX-RHSMWYFYSA-N 0 3 315.388 3.212 20 10 DGCDHN [O-]c1c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001234993254 1098737945 /nfs/dbraw/zinc/73/79/45/1098737945.db2.gz XSZKLZCARJDPFX-RHSMWYFYSA-N 0 3 315.388 3.212 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c([O-])c1 ZINC001235677174 1099119457 /nfs/dbraw/zinc/11/94/57/1099119457.db2.gz CDPHQHVYVPRTLA-YJEJQGFLSA-N 0 3 301.430 3.299 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c([O-])c1 ZINC001235677174 1099119462 /nfs/dbraw/zinc/11/94/62/1099119462.db2.gz CDPHQHVYVPRTLA-YJEJQGFLSA-N 0 3 301.430 3.299 20 10 DGCDHN Cc1nc(CC[N@@H+](C)Cc2ccc(C(C)(C)C)cc2[O-])no1 ZINC001235676318 1099120002 /nfs/dbraw/zinc/12/00/02/1099120002.db2.gz QAGYJZWCDYQATM-UHFFFAOYSA-N 0 3 303.406 3.056 20 10 DGCDHN Cc1nc(CC[N@H+](C)Cc2ccc(C(C)(C)C)cc2[O-])no1 ZINC001235676318 1099120011 /nfs/dbraw/zinc/12/00/11/1099120011.db2.gz QAGYJZWCDYQATM-UHFFFAOYSA-N 0 3 303.406 3.056 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[NH2+]C3(CC3)C2)cc1Cl ZINC001235934738 1099268254 /nfs/dbraw/zinc/26/82/54/1099268254.db2.gz BNQYIDSRGRJBNS-UHFFFAOYSA-N 0 3 308.853 3.281 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1Cl ZINC001235988863 1099312865 /nfs/dbraw/zinc/31/28/65/1099312865.db2.gz ARVLLJYDYHUZSE-PXAZEXFGSA-N 0 3 308.853 3.266 20 10 DGCDHN COc1ccc(CN(C)Cc2ccccc2O)c(OC)c1C ZINC001204265294 1099369657 /nfs/dbraw/zinc/36/96/57/1099369657.db2.gz ZTJAVMRPKREIAP-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN [O-]c1c(F)cc(Cl)cc1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236602453 1099697098 /nfs/dbraw/zinc/69/70/98/1099697098.db2.gz WCDRNLTZMPTTHH-LLVKDONJSA-N 0 3 312.816 3.149 20 10 DGCDHN COc1cc([O-])c(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236602690 1099697695 /nfs/dbraw/zinc/69/76/95/1099697695.db2.gz ZWIYZLFNXAAZMO-GFCCVEGCSA-N 0 3 324.852 3.018 20 10 DGCDHN CCc1ccc(C[NH+]2CCC(N(C(C)=O)C(C)C)CC2)c([O-])c1 ZINC001236786429 1099784063 /nfs/dbraw/zinc/78/40/63/1099784063.db2.gz BIONPRSWPBKUMK-UHFFFAOYSA-N 0 3 318.461 3.176 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c([O-])c1 ZINC001236787935 1099785812 /nfs/dbraw/zinc/78/58/12/1099785812.db2.gz MGTCBBKLQAFXIU-GOSISDBHSA-N 0 3 312.413 3.393 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c([O-])c1 ZINC001236787935 1099785819 /nfs/dbraw/zinc/78/58/19/1099785819.db2.gz MGTCBBKLQAFXIU-GOSISDBHSA-N 0 3 312.413 3.393 20 10 DGCDHN CCc1noc(C2CC[NH+](Cc3ccc(CC)cc3[O-])CC2)n1 ZINC001236791217 1099786929 /nfs/dbraw/zinc/78/69/29/1099786929.db2.gz FKXIATMGJZJHPM-UHFFFAOYSA-N 0 3 315.417 3.280 20 10 DGCDHN CCc1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)c([O-])c1 ZINC001236791729 1099789075 /nfs/dbraw/zinc/78/90/75/1099789075.db2.gz JBZKFXKHRDFUSO-UHFFFAOYSA-N 0 3 301.390 3.026 20 10 DGCDHN Cc1noc([C@H]2CC[N@H+](Cc3cc4ccccc4cc3[O-])C2)n1 ZINC001236833768 1099820299 /nfs/dbraw/zinc/82/02/99/1099820299.db2.gz QCXBYFJYNSYKEB-HNNXBMFYSA-N 0 3 309.369 3.226 20 10 DGCDHN Cc1noc([C@H]2CC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)n1 ZINC001236833768 1099820312 /nfs/dbraw/zinc/82/03/12/1099820312.db2.gz QCXBYFJYNSYKEB-HNNXBMFYSA-N 0 3 309.369 3.226 20 10 DGCDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833174 1099820817 /nfs/dbraw/zinc/82/08/17/1099820817.db2.gz PEZZLIZKIPFKIZ-CQSZACIVSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833174 1099820828 /nfs/dbraw/zinc/82/08/28/1099820828.db2.gz PEZZLIZKIPFKIZ-CQSZACIVSA-N 0 3 313.397 3.321 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])c1 ZINC001237041886 1099938959 /nfs/dbraw/zinc/93/89/59/1099938959.db2.gz OUYJEWCRMGPDRU-QGZVFWFLSA-N 0 3 312.413 3.393 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])c1 ZINC001237041886 1099938963 /nfs/dbraw/zinc/93/89/63/1099938963.db2.gz OUYJEWCRMGPDRU-QGZVFWFLSA-N 0 3 312.413 3.393 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001237044989 1099942411 /nfs/dbraw/zinc/94/24/11/1099942411.db2.gz GUHVTPGENKPLEK-KGLIPLIRSA-N 0 3 317.351 3.118 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001237044989 1099942417 /nfs/dbraw/zinc/94/24/17/1099942417.db2.gz GUHVTPGENKPLEK-KGLIPLIRSA-N 0 3 317.351 3.118 20 10 DGCDHN CCC(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237052857 1099946484 /nfs/dbraw/zinc/94/64/84/1099946484.db2.gz DEQZXJRBYOHBLO-UHFFFAOYSA-N 0 3 304.434 3.006 20 10 DGCDHN COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237055899 1099947800 /nfs/dbraw/zinc/94/78/00/1099947800.db2.gz RZFDDCCNCPAEHW-CQSZACIVSA-N 0 3 305.418 3.291 20 10 DGCDHN COC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237055899 1099947804 /nfs/dbraw/zinc/94/78/04/1099947804.db2.gz RZFDDCCNCPAEHW-CQSZACIVSA-N 0 3 305.418 3.291 20 10 DGCDHN CO[C@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)[C@@H](C)C1 ZINC001237126452 1099983918 /nfs/dbraw/zinc/98/39/18/1099983918.db2.gz YFSITRYJOCMLNV-QWRGUYRKSA-N 0 3 319.323 3.290 20 10 DGCDHN CCC1(O)CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237139438 1099988109 /nfs/dbraw/zinc/98/81/09/1099988109.db2.gz FURLWLUDULCBLR-UHFFFAOYSA-N 0 3 303.324 3.148 20 10 DGCDHN COC[C@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138869 1099990065 /nfs/dbraw/zinc/99/00/65/1099990065.db2.gz ZPIVNYXHOCOQHB-CYBMUJFWSA-N 0 3 303.324 3.412 20 10 DGCDHN COC[C@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138869 1099990074 /nfs/dbraw/zinc/99/00/74/1099990074.db2.gz ZPIVNYXHOCOQHB-CYBMUJFWSA-N 0 3 303.324 3.412 20 10 DGCDHN COC[C@H]1CCCCN1Cc1cc(C(F)(F)F)ccc1O ZINC001237138869 1099990082 /nfs/dbraw/zinc/99/00/82/1099990082.db2.gz ZPIVNYXHOCOQHB-CYBMUJFWSA-N 0 3 303.324 3.412 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237140670 1099990794 /nfs/dbraw/zinc/99/07/94/1099990794.db2.gz MWYZRXCJDCLYOS-OAHLLOKOSA-N 0 3 315.335 3.414 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237140670 1099990804 /nfs/dbraw/zinc/99/08/04/1099990804.db2.gz MWYZRXCJDCLYOS-OAHLLOKOSA-N 0 3 315.335 3.414 20 10 DGCDHN Oc1ccc(C(F)(F)F)cc1CN1CCNC2=CCCC[C@H]21 ZINC001237227602 1100039731 /nfs/dbraw/zinc/03/97/31/1100039731.db2.gz BSQMKPFJNXBOSY-CQSZACIVSA-N 0 3 312.335 3.253 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCNC4=CCCC[C@@H]43)c2c1 ZINC001237228295 1100040528 /nfs/dbraw/zinc/04/05/28/1100040528.db2.gz JDTZASYTDHUKKS-IBGZPJMESA-N 0 3 324.424 3.396 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCNC4=CCCC[C@@H]43)c2c1 ZINC001237228295 1100040537 /nfs/dbraw/zinc/04/05/37/1100040537.db2.gz JDTZASYTDHUKKS-IBGZPJMESA-N 0 3 324.424 3.396 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237484303 1100139600 /nfs/dbraw/zinc/13/96/00/1100139600.db2.gz BCDIVEORNYEBTQ-SFHVURJKSA-N 0 3 305.418 3.256 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237484303 1100139605 /nfs/dbraw/zinc/13/96/05/1100139605.db2.gz BCDIVEORNYEBTQ-SFHVURJKSA-N 0 3 305.418 3.256 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)c1ccccc1NC2=O ZINC001237484863 1100139721 /nfs/dbraw/zinc/13/97/21/1100139721.db2.gz JBYLMHPKZZFDJL-UHFFFAOYSA-N 0 3 322.408 3.187 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001237494843 1100144966 /nfs/dbraw/zinc/14/49/66/1100144966.db2.gz LTQAXSKAFUGUNP-INIZCTEOSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001237494843 1100144973 /nfs/dbraw/zinc/14/49/73/1100144973.db2.gz LTQAXSKAFUGUNP-INIZCTEOSA-N 0 3 312.413 3.447 20 10 DGCDHN CCN(Cc1ccnc(OC(F)F)c1)Cc1ccccc1O ZINC001237616541 1100190798 /nfs/dbraw/zinc/19/07/98/1100190798.db2.gz AWSAOKFYEDKCLT-UHFFFAOYSA-N 0 3 308.328 3.411 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001237640990 1100199977 /nfs/dbraw/zinc/19/99/77/1100199977.db2.gz JPTBDTXCJIPLNI-FUHWJXTLSA-N 0 3 319.351 3.103 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001237640990 1100199979 /nfs/dbraw/zinc/19/99/79/1100199979.db2.gz JPTBDTXCJIPLNI-FUHWJXTLSA-N 0 3 319.351 3.103 20 10 DGCDHN CN(C)[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640958 1100200023 /nfs/dbraw/zinc/20/00/23/1100200023.db2.gz IRSPGRDQXKRAGQ-SFHVURJKSA-N 0 3 314.404 3.334 20 10 DGCDHN CN(C)[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640958 1100200026 /nfs/dbraw/zinc/20/00/26/1100200026.db2.gz IRSPGRDQXKRAGQ-SFHVURJKSA-N 0 3 314.404 3.334 20 10 DGCDHN Cc1cc(F)cc(CN(C)Cc2ccc3c(c2)OCCO3)c1O ZINC001238056299 1100344544 /nfs/dbraw/zinc/34/45/44/1100344544.db2.gz GNKVBAVDEHSQBK-UHFFFAOYSA-N 0 3 317.360 3.243 20 10 DGCDHN COc1ccc(N2CCN(C[C@H](CC(C)C)OC)CC2)cc1F ZINC001192108532 1100573294 /nfs/dbraw/zinc/57/32/94/1100573294.db2.gz WVRGZOBLNVCRGK-INIZCTEOSA-N 0 3 324.440 3.017 20 10 DGCDHN Cn1ccc2ccc(-c3cncc([C@H]4CN5CCC4CC5)n3)cc21 ZINC001240574215 1101055566 /nfs/dbraw/zinc/05/55/66/1101055566.db2.gz ZCCHKCNBJZWFGU-KRWDZBQOSA-N 0 3 318.424 3.445 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1c(F)cccc1F ZINC001197004714 1101454969 /nfs/dbraw/zinc/45/49/69/1101454969.db2.gz VBBPRCSMGRMUIS-GHMZBOCLSA-N 0 3 320.339 3.348 20 10 DGCDHN C[C@@H]1CCc2nc(CNCCc3ccc(N)cc3)sc2C1 ZINC001326073918 1103200195 /nfs/dbraw/zinc/20/01/95/1103200195.db2.gz BFDTWRYEFSQJEL-GFCCVEGCSA-N 0 3 301.459 3.182 20 10 DGCDHN Cc1cc(N(C)C)ccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245427776 1104051370 /nfs/dbraw/zinc/05/13/70/1104051370.db2.gz NODZMAHYFQVZIG-KRWDZBQOSA-N 0 3 300.446 3.329 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275276337 1104700466 /nfs/dbraw/zinc/70/04/66/1104700466.db2.gz ISZWXICXZWUNTP-UHFFFAOYSA-N 0 3 320.864 3.496 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275276337 1104700472 /nfs/dbraw/zinc/70/04/72/1104700472.db2.gz ISZWXICXZWUNTP-UHFFFAOYSA-N 0 3 320.864 3.496 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@]34C[C@H]3CCN4)n2)cc1 ZINC001247955258 1105020527 /nfs/dbraw/zinc/02/05/27/1105020527.db2.gz ZUAPCZNGRDKACM-BEFAXECRSA-N 0 3 320.396 3.353 20 10 DGCDHN CN1CC2(C1)CC[N@H+](Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001248884985 1105186736 /nfs/dbraw/zinc/18/67/36/1105186736.db2.gz HNAMFJJTTWVYFB-UHFFFAOYSA-N 0 3 322.880 3.481 20 10 DGCDHN CN1CC2(C1)CC[N@@H+](Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001248884985 1105186737 /nfs/dbraw/zinc/18/67/37/1105186737.db2.gz HNAMFJJTTWVYFB-UHFFFAOYSA-N 0 3 322.880 3.481 20 10 DGCDHN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224390 1105249777 /nfs/dbraw/zinc/24/97/77/1105249777.db2.gz YHQLYOURHXNJTC-ZIAGYGMSSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224390 1105249782 /nfs/dbraw/zinc/24/97/82/1105249782.db2.gz YHQLYOURHXNJTC-ZIAGYGMSSA-N 0 3 317.429 3.169 20 10 DGCDHN CC[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)CC(C)(C)O ZINC001249251945 1105256711 /nfs/dbraw/zinc/25/67/11/1105256711.db2.gz CKWJFIDHEGFWDD-UHFFFAOYSA-N 0 3 305.418 3.169 20 10 DGCDHN CC[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)CC(C)(C)O ZINC001249251945 1105256713 /nfs/dbraw/zinc/25/67/13/1105256713.db2.gz CKWJFIDHEGFWDD-UHFFFAOYSA-N 0 3 305.418 3.169 20 10 DGCDHN C[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)[C@@H]1CCCOC1 ZINC001249258487 1105258440 /nfs/dbraw/zinc/25/84/40/1105258440.db2.gz IPFJMJVEIPJURP-CQSZACIVSA-N 0 3 303.402 3.187 20 10 DGCDHN C[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)[C@@H]1CCCOC1 ZINC001249258487 1105258443 /nfs/dbraw/zinc/25/84/43/1105258443.db2.gz IPFJMJVEIPJURP-CQSZACIVSA-N 0 3 303.402 3.187 20 10 DGCDHN Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)cc1C ZINC001249339497 1105271523 /nfs/dbraw/zinc/27/15/23/1105271523.db2.gz LPFNQSLNRWFLOS-OAHLLOKOSA-N 0 3 309.369 3.302 20 10 DGCDHN Cc1cc(CN(C)Cc2cccnc2)c(O)cc1Br ZINC001250117290 1105445713 /nfs/dbraw/zinc/44/57/13/1105445713.db2.gz MAXRAZGWBVNFHJ-UHFFFAOYSA-N 0 3 321.218 3.490 20 10 DGCDHN CN(C)c1ccc(CC2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001250434900 1105514661 /nfs/dbraw/zinc/51/46/61/1105514661.db2.gz QFLAWOJJVUNWGG-LJQANCHMSA-N 0 3 300.446 3.106 20 10 DGCDHN CCCCOC(=O)CC[C@@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001257403306 1106583419 /nfs/dbraw/zinc/58/34/19/1106583419.db2.gz RYZXXMOUCYAAIU-CQSZACIVSA-N 0 3 305.418 3.262 20 10 DGCDHN CCCCOC(=O)CC[C@@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001257403306 1106583422 /nfs/dbraw/zinc/58/34/22/1106583422.db2.gz RYZXXMOUCYAAIU-CQSZACIVSA-N 0 3 305.418 3.262 20 10 DGCDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1cccc(N(C)C)n1 ZINC001323830037 1108099307 /nfs/dbraw/zinc/09/93/07/1108099307.db2.gz PAWIVVOFIHGLMD-HIFRSBDPSA-N 0 3 311.429 3.500 20 10 DGCDHN COc1cccc(CN2Cc3ccc(O)cc3C3(CC3)C2)c1O ZINC001324039113 1108154916 /nfs/dbraw/zinc/15/49/16/1108154916.db2.gz KBWUSCDIRFZLSA-UHFFFAOYSA-N 0 3 311.381 3.154 20 10 DGCDHN Cn1cc([C@H](N[C@@H]2CCc3cccc(O)c32)c2ccccc2)cn1 ZINC001324601147 1108367722 /nfs/dbraw/zinc/36/77/22/1108367722.db2.gz HNFRJEYMBKUWKY-YLJYHZDGSA-N 0 3 319.408 3.492 20 10 DGCDHN CCCC[N@H+](CCN1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1[O-] ZINC001307722775 1111331572 /nfs/dbraw/zinc/33/15/72/1111331572.db2.gz ZPXBPTJHYNWYFM-CALCHBBNSA-N 0 3 320.477 3.104 20 10 DGCDHN CCCC[N@@H+](CCN1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1[O-] ZINC001307722775 1111331575 /nfs/dbraw/zinc/33/15/75/1111331575.db2.gz ZPXBPTJHYNWYFM-CALCHBBNSA-N 0 3 320.477 3.104 20 10 DGCDHN CCN(CCC[NH+](CC)CC)Cc1cc(F)c(F)cc1[O-] ZINC001308744497 1111468902 /nfs/dbraw/zinc/46/89/02/1111468902.db2.gz HPWGEULASZJHHB-UHFFFAOYSA-N 0 3 300.393 3.224 20 10 DGCDHN CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000295883039 282181506 /nfs/dbraw/zinc/18/15/06/282181506.db2.gz HUWAXRVTNDZLGR-IRXDYDNUSA-N 0 3 314.404 3.411 20 10 DGCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccs1 ZINC000083601845 192375907 /nfs/dbraw/zinc/37/59/07/192375907.db2.gz ZDDLXNVLPBTYNT-UHFFFAOYSA-N 0 3 305.399 3.250 20 10 DGCDHN Fc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1F ZINC000066887600 432023831 /nfs/dbraw/zinc/02/38/31/432023831.db2.gz OVKVVPGXNQUUCW-UHFFFAOYSA-N 0 3 318.367 3.091 20 10 DGCDHN C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273490350 299271878 /nfs/dbraw/zinc/27/18/78/299271878.db2.gz OBXFXWPJEMLHCM-LBPRGKRZSA-N 0 3 321.421 3.214 20 10 DGCDHN CCCN(Cc1cc(C(=O)OC)co1)Cc1ccccc1O ZINC000170779106 432080635 /nfs/dbraw/zinc/08/06/35/432080635.db2.gz GHSBPMJSRQCHFQ-UHFFFAOYSA-N 0 3 303.358 3.184 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134787622 432086130 /nfs/dbraw/zinc/08/61/30/432086130.db2.gz PBZSVVNTXDSMDX-DTJGQCLQSA-N 0 3 303.402 3.009 20 10 DGCDHN Cc1nc(C)c([C@@H](C)N(C)Cc2cc3c(cc2O)OCO3)s1 ZINC000093275635 193223713 /nfs/dbraw/zinc/22/37/13/193223713.db2.gz YZGVMUGMCCKORE-SNVBAGLBSA-N 0 3 320.414 3.387 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360301 193238697 /nfs/dbraw/zinc/23/86/97/193238697.db2.gz WHSQEBIRZWYOOA-ZDUSSCGKSA-N 0 3 308.422 3.046 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360301 193238699 /nfs/dbraw/zinc/23/86/99/193238699.db2.gz WHSQEBIRZWYOOA-ZDUSSCGKSA-N 0 3 308.422 3.046 20 10 DGCDHN Cc1ccc(O)c(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360301 193238701 /nfs/dbraw/zinc/23/87/01/193238701.db2.gz WHSQEBIRZWYOOA-ZDUSSCGKSA-N 0 3 308.422 3.046 20 10 DGCDHN C[C@@H](NC[C@@H](O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000268767385 432129302 /nfs/dbraw/zinc/12/93/02/432129302.db2.gz CLSCURWQLZSVMA-FZKQIMNGSA-N 0 3 302.393 3.276 20 10 DGCDHN C[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(N(C)C)cc1 ZINC000268853134 432144031 /nfs/dbraw/zinc/14/40/31/432144031.db2.gz CEVDCHZHGTXHHF-OAHLLOKOSA-N 0 3 321.428 3.184 20 10 DGCDHN CCOc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000058092773 184074367 /nfs/dbraw/zinc/07/43/67/184074367.db2.gz HPMDTIATRVQYFR-UHFFFAOYSA-N 0 3 316.357 3.031 20 10 DGCDHN C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000237442417 533451721 /nfs/dbraw/zinc/45/17/21/533451721.db2.gz KRDSONPKZAVAJQ-CQSZACIVSA-N 0 3 312.413 3.375 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1[O-] ZINC000272827777 130067530 /nfs/dbraw/zinc/06/75/30/130067530.db2.gz HCCOOFAFPZWKDX-QWHCGFSZSA-N 0 3 310.397 3.323 20 10 DGCDHN COCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273338406 130107694 /nfs/dbraw/zinc/10/76/94/130107694.db2.gz ABINMPQZPMSRNN-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN COCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273338406 130107696 /nfs/dbraw/zinc/10/76/96/130107696.db2.gz ABINMPQZPMSRNN-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000273364756 130111980 /nfs/dbraw/zinc/11/19/80/130111980.db2.gz DTRIFRGBBUNJSX-OCCSQVGLSA-N 0 3 321.367 3.172 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)c([O-])c1C ZINC000273411167 130118926 /nfs/dbraw/zinc/11/89/26/130118926.db2.gz PRAAEHSBJFXYMW-HZPDHXFCSA-N 0 3 307.434 3.245 20 10 DGCDHN COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])cc1 ZINC000273415880 130119027 /nfs/dbraw/zinc/11/90/27/130119027.db2.gz QXEPICARAHCEKL-KDOFPFPSSA-N 0 3 315.413 3.402 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000273513184 130131285 /nfs/dbraw/zinc/13/12/85/130131285.db2.gz SEFOJZSQEYRDAD-CZUORRHYSA-N 0 3 303.377 3.094 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1 ZINC000273532160 130133143 /nfs/dbraw/zinc/13/31/43/130133143.db2.gz WRCNNJVJHYBCMN-KGLIPLIRSA-N 0 3 307.434 3.240 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000273548801 130135412 /nfs/dbraw/zinc/13/54/12/130135412.db2.gz ZXICVYUDXANHBG-MEDUHNTESA-N 0 3 321.804 3.438 20 10 DGCDHN Cc1nccn1CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000273559472 130136263 /nfs/dbraw/zinc/13/62/63/130136263.db2.gz HSXHJDZJWRICOC-SNVBAGLBSA-N 0 3 324.222 3.010 20 10 DGCDHN CC[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000274736614 130258304 /nfs/dbraw/zinc/25/83/04/130258304.db2.gz DHTWYJNTNPULFB-WBVHZDCISA-N 0 3 303.377 3.176 20 10 DGCDHN CN(C)c1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1F ZINC000274753603 130258710 /nfs/dbraw/zinc/25/87/10/130258710.db2.gz FJTXFRVRSFVUHR-UHFFFAOYSA-N 0 3 316.420 3.409 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)N(C)C)c1[O-] ZINC000275387147 130312628 /nfs/dbraw/zinc/31/26/28/130312628.db2.gz YJDYPGVQLWNVIF-QWRGUYRKSA-N 0 3 315.255 3.064 20 10 DGCDHN COc1cccc([C@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284162464 131055140 /nfs/dbraw/zinc/05/51/40/131055140.db2.gz PVMDTZDBAOEMAA-RDTXWAMCSA-N 0 3 315.413 3.402 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000284927535 131123257 /nfs/dbraw/zinc/12/32/57/131123257.db2.gz GTQSVGNZBHWHMR-KGLIPLIRSA-N 0 3 311.809 3.198 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000284927535 131123258 /nfs/dbraw/zinc/12/32/58/131123258.db2.gz GTQSVGNZBHWHMR-KGLIPLIRSA-N 0 3 311.809 3.198 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000091957519 400142080 /nfs/dbraw/zinc/14/20/80/400142080.db2.gz CWHZSMZKBOQJGL-ROUUACIJSA-N 0 3 314.429 3.434 20 10 DGCDHN CCOc1cccc(CN(CCCO)Cc2ccccc2)c1O ZINC000093102115 400226896 /nfs/dbraw/zinc/22/68/96/400226896.db2.gz NXINYTOLTVZEAS-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN CCOc1cccc(C[N@H+](CCCO)Cc2ccccc2)c1[O-] ZINC000093102115 400226900 /nfs/dbraw/zinc/22/69/00/400226900.db2.gz NXINYTOLTVZEAS-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN CCOc1cccc(C[N@@H+](CCCO)Cc2ccccc2)c1[O-] ZINC000093102115 400226906 /nfs/dbraw/zinc/22/69/06/400226906.db2.gz NXINYTOLTVZEAS-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000270090845 432227204 /nfs/dbraw/zinc/22/72/04/432227204.db2.gz KRGGLWZNOGDDFQ-ZSEKCTLFSA-N 0 3 303.427 3.289 20 10 DGCDHN Cc1ccc(O)c(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000270090845 432227208 /nfs/dbraw/zinc/22/72/08/432227208.db2.gz KRGGLWZNOGDDFQ-ZSEKCTLFSA-N 0 3 303.427 3.289 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000270090839 432227224 /nfs/dbraw/zinc/22/72/24/432227224.db2.gz KRGGLWZNOGDDFQ-ASSNKEHSSA-N 0 3 303.427 3.289 20 10 DGCDHN Cc1ccc(O)c(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000270090839 432227228 /nfs/dbraw/zinc/22/72/28/432227228.db2.gz KRGGLWZNOGDDFQ-ASSNKEHSSA-N 0 3 303.427 3.289 20 10 DGCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccc(CO)c1 ZINC000270428933 432245879 /nfs/dbraw/zinc/24/58/79/432245879.db2.gz HOBHQCMVAYJKGA-HNNXBMFYSA-N 0 3 310.441 3.412 20 10 DGCDHN CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297646282 277197045 /nfs/dbraw/zinc/19/70/45/277197045.db2.gz JZPMKBVTPDJZMT-CYBMUJFWSA-N 0 3 320.433 3.272 20 10 DGCDHN O[C@H](CNCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000077325649 431584154 /nfs/dbraw/zinc/58/41/54/431584154.db2.gz NZFIWYOZMISWCT-MRXNPFEDSA-N 0 3 303.789 3.098 20 10 DGCDHN CN(CC[C@@H]1CCOC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000120057613 431720792 /nfs/dbraw/zinc/72/07/92/431720792.db2.gz FFBVEBQFPULDAK-QGZVFWFLSA-N 0 3 316.445 3.062 20 10 DGCDHN CCOc1cccc(CN(C)Cc2ccc3c(c2)OCO3)c1O ZINC000120056713 431721348 /nfs/dbraw/zinc/72/13/48/431721348.db2.gz RSLNKMZLUUDDCV-UHFFFAOYSA-N 0 3 315.369 3.152 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000121784729 431805991 /nfs/dbraw/zinc/80/59/91/431805991.db2.gz NDWCZZZIMXZNIQ-HNNXBMFYSA-N 0 3 322.412 3.123 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000121784729 431805997 /nfs/dbraw/zinc/80/59/97/431805997.db2.gz NDWCZZZIMXZNIQ-HNNXBMFYSA-N 0 3 322.412 3.123 20 10 DGCDHN CCN1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000037644074 431848627 /nfs/dbraw/zinc/84/86/27/431848627.db2.gz XJYGRUUNUPDMPC-JTQLQIEISA-N 0 3 303.233 3.130 20 10 DGCDHN CC[N@@H+]1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000037644074 431848629 /nfs/dbraw/zinc/84/86/29/431848629.db2.gz XJYGRUUNUPDMPC-JTQLQIEISA-N 0 3 303.233 3.130 20 10 DGCDHN CC[N@H+]1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000037644074 431848630 /nfs/dbraw/zinc/84/86/30/431848630.db2.gz XJYGRUUNUPDMPC-JTQLQIEISA-N 0 3 303.233 3.130 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000093644672 431915937 /nfs/dbraw/zinc/91/59/37/431915937.db2.gz MBCAUUZWXDFRJQ-ZBFHGGJFSA-N 0 3 306.450 3.096 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000093644672 431915938 /nfs/dbraw/zinc/91/59/38/431915938.db2.gz MBCAUUZWXDFRJQ-ZBFHGGJFSA-N 0 3 306.450 3.096 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccccc1[O-] ZINC000183417715 432291333 /nfs/dbraw/zinc/29/13/33/432291333.db2.gz NERFMRXFNMYSPZ-CQSZACIVSA-N 0 3 310.397 3.370 20 10 DGCDHN COCCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183415783 432292259 /nfs/dbraw/zinc/29/22/59/432292259.db2.gz ORYFOEPBMRIFFL-CQSZACIVSA-N 0 3 301.386 3.268 20 10 DGCDHN CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])[C@H](C)C1 ZINC000183515041 432298947 /nfs/dbraw/zinc/29/89/47/432298947.db2.gz KVLBRBOPCKJWIC-RYRKJORJSA-N 0 3 320.477 3.180 20 10 DGCDHN CC(C)N(Cc1cnc2cnccn12)Cc1ccc(N(C)C)cc1 ZINC000271097179 432328772 /nfs/dbraw/zinc/32/87/72/432328772.db2.gz ZWBOHBCSESQACY-UHFFFAOYSA-N 0 3 323.444 3.206 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)c1[O-] ZINC000271331568 432376153 /nfs/dbraw/zinc/37/61/53/432376153.db2.gz FQGDJBSWUDWAKD-KZULUSFZSA-N 0 3 319.376 3.406 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1[O-] ZINC000192927281 432429923 /nfs/dbraw/zinc/42/99/23/432429923.db2.gz QPWZGIRNNVAHEI-SFHVURJKSA-N 0 3 310.441 3.312 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000185351740 432494765 /nfs/dbraw/zinc/49/47/65/432494765.db2.gz KWUXTIZIGNFHSQ-CHWSQXEVSA-N 0 3 301.386 3.388 20 10 DGCDHN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000193911090 432508929 /nfs/dbraw/zinc/50/89/29/432508929.db2.gz MUDJCLHDJDJUAV-OAHLLOKOSA-N 0 3 312.413 3.090 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000185528987 432509316 /nfs/dbraw/zinc/50/93/16/432509316.db2.gz PYILAMGWWRESSV-BZNIZROVSA-N 0 3 307.415 3.021 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000185529006 432509342 /nfs/dbraw/zinc/50/93/42/432509342.db2.gz PYILAMGWWRESSV-MEDUHNTESA-N 0 3 307.415 3.021 20 10 DGCDHN CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C12CCC2 ZINC000185551462 432510223 /nfs/dbraw/zinc/51/02/23/432510223.db2.gz XEDYHEJUJUTLFK-VUCTXSBTSA-N 0 3 305.418 3.399 20 10 DGCDHN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cn1 ZINC000185084429 432465709 /nfs/dbraw/zinc/46/57/09/432465709.db2.gz IEMGAEFDVVNSLT-AWEZNQCLSA-N 0 3 322.412 3.441 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000186136661 432561679 /nfs/dbraw/zinc/56/16/79/432561679.db2.gz YHTOZPGJOFFGBG-CKEIUWERSA-N 0 3 307.459 3.406 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000186136224 432562374 /nfs/dbraw/zinc/56/23/74/432562374.db2.gz IXMSDKDPYGHRFX-JKIFEVAISA-N 0 3 307.459 3.406 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCCO)c1[O-] ZINC000187294827 432655831 /nfs/dbraw/zinc/65/58/31/432655831.db2.gz YGYWWXQXXZPBTI-MNOVXSKESA-N 0 3 316.239 3.275 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1OC ZINC000160034929 432705604 /nfs/dbraw/zinc/70/56/04/432705604.db2.gz WEWKLHCZIDRSOB-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1OC ZINC000160034929 432705606 /nfs/dbraw/zinc/70/56/06/432705606.db2.gz WEWKLHCZIDRSOB-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN Cc1ccoc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160195956 432710364 /nfs/dbraw/zinc/71/03/64/432710364.db2.gz RFCAHVGIXOOETA-MRXNPFEDSA-N 0 3 301.386 3.475 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cc1OC ZINC000187679523 432675530 /nfs/dbraw/zinc/67/55/30/432675530.db2.gz XEKDZUYPUSPJIM-ZBFHGGJFSA-N 0 3 323.433 3.093 20 10 DGCDHN CCOc1cc(CN(C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000276952818 432828145 /nfs/dbraw/zinc/82/81/45/432828145.db2.gz UNMJUPVSGHGMMP-UHFFFAOYSA-N 0 3 316.357 3.331 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000276979723 432828330 /nfs/dbraw/zinc/82/83/30/432828330.db2.gz VQEPXGAVOQTMHA-RHSMWYFYSA-N 0 3 316.445 3.367 20 10 DGCDHN Cc1cc(O)c(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1C ZINC000278308850 432891304 /nfs/dbraw/zinc/89/13/04/432891304.db2.gz DZCURHBOQYNGRC-IUODEOHRSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1C ZINC000278308850 432891307 /nfs/dbraw/zinc/89/13/07/432891307.db2.gz DZCURHBOQYNGRC-IUODEOHRSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1C ZINC000278308850 432891309 /nfs/dbraw/zinc/89/13/09/432891309.db2.gz DZCURHBOQYNGRC-IUODEOHRSA-N 0 3 317.351 3.144 20 10 DGCDHN Cc1cccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c1[O-] ZINC000278276717 432891331 /nfs/dbraw/zinc/89/13/31/432891331.db2.gz PMLADQPZKQAJST-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1cccc(CN2CCC(Oc3ncccc3F)CC2)c1O ZINC000278276717 432891340 /nfs/dbraw/zinc/89/13/40/432891340.db2.gz PMLADQPZKQAJST-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCSC1)C[C@@H]1CCCO1 ZINC000278392290 432892971 /nfs/dbraw/zinc/89/29/71/432892971.db2.gz AIXXADAQSIIVRB-HOCLYGCPSA-N 0 3 307.459 3.126 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCSC1)C[C@@H]1CCCO1 ZINC000278392290 432892974 /nfs/dbraw/zinc/89/29/74/432892974.db2.gz AIXXADAQSIIVRB-HOCLYGCPSA-N 0 3 307.459 3.126 20 10 DGCDHN CC[C@@H](C)c1nc([C@H](C)NCc2cc(C)c(C)cc2O)n[nH]1 ZINC000277469720 432852571 /nfs/dbraw/zinc/85/25/71/432852571.db2.gz RJIOPGFPZOLFKN-MFKMUULPSA-N 0 3 302.422 3.491 20 10 DGCDHN Cc1ccc([C@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC000296621251 432924325 /nfs/dbraw/zinc/92/43/25/432924325.db2.gz WXBJLPMLWOFEGC-HRCADAONSA-N 0 3 324.424 3.043 20 10 DGCDHN Cc1ccc([C@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC000296621251 432924327 /nfs/dbraw/zinc/92/43/27/432924327.db2.gz WXBJLPMLWOFEGC-HRCADAONSA-N 0 3 324.424 3.043 20 10 DGCDHN O[C@H](CNCc1ccc2c(c1)CCO2)c1cc(F)cc(Cl)c1 ZINC000278794299 432901984 /nfs/dbraw/zinc/90/19/84/432901984.db2.gz QWMBNNMHMIUDOT-MRXNPFEDSA-N 0 3 321.779 3.237 20 10 DGCDHN CN(C)c1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289641125 432971053 /nfs/dbraw/zinc/97/10/53/432971053.db2.gz SMSMROOPPZMUEQ-ZWKOTPCHSA-N 0 3 300.446 3.286 20 10 DGCDHN Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1C ZINC000289699177 432971554 /nfs/dbraw/zinc/97/15/54/432971554.db2.gz ONQIFPFUUHOWGF-UONOGXRCSA-N 0 3 317.351 3.002 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1C ZINC000289699177 432971559 /nfs/dbraw/zinc/97/15/59/432971559.db2.gz ONQIFPFUUHOWGF-UONOGXRCSA-N 0 3 317.351 3.002 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1C ZINC000289699177 432971564 /nfs/dbraw/zinc/97/15/64/432971564.db2.gz ONQIFPFUUHOWGF-UONOGXRCSA-N 0 3 317.351 3.002 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[O-] ZINC000289915112 432978719 /nfs/dbraw/zinc/97/87/19/432978719.db2.gz VHVRPNVRUQAKPW-IUODEOHRSA-N 0 3 324.852 3.113 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCc3ccc(F)cc31)OCO2 ZINC000279636815 432989795 /nfs/dbraw/zinc/98/97/95/432989795.db2.gz CMINTEVWYLXHBO-OAHLLOKOSA-N 0 3 315.344 3.427 20 10 DGCDHN CCc1nn(C)c(OC)c1CN[C@@H](CC)c1ccc(C)cc1O ZINC000279994434 432999490 /nfs/dbraw/zinc/99/94/90/432999490.db2.gz FOVVDYARUMIVCV-HNNXBMFYSA-N 0 3 317.433 3.246 20 10 DGCDHN CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000280144619 433005363 /nfs/dbraw/zinc/00/53/63/433005363.db2.gz PVYGNYNMLVEWOO-KRWDZBQOSA-N 0 3 312.413 3.301 20 10 DGCDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2cccc(O)c21 ZINC000297938500 433034294 /nfs/dbraw/zinc/03/42/94/433034294.db2.gz XZUWSSUAZUYJKH-AWEZNQCLSA-N 0 3 314.341 3.086 20 10 DGCDHN CCOc1ccc(O)c(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000290452489 433054519 /nfs/dbraw/zinc/05/45/19/433054519.db2.gz MLXQQZYLPVEZGJ-INIZCTEOSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000290452489 433054524 /nfs/dbraw/zinc/05/45/24/433054524.db2.gz MLXQQZYLPVEZGJ-INIZCTEOSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000290452489 433054528 /nfs/dbraw/zinc/05/45/28/433054528.db2.gz MLXQQZYLPVEZGJ-INIZCTEOSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2c2cn(C)nc2C)c1 ZINC000373175200 433113248 /nfs/dbraw/zinc/11/32/48/433113248.db2.gz FQEIHOYAMHGNKU-QGZVFWFLSA-N 0 3 315.417 3.170 20 10 DGCDHN CCOc1cccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000290952986 433212270 /nfs/dbraw/zinc/21/22/70/433212270.db2.gz QULHPIITXSCJEE-SJLPKXTDSA-N 0 3 317.429 3.324 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000281158239 433266369 /nfs/dbraw/zinc/26/63/69/433266369.db2.gz BGIJTGIURHAGRH-ZDUSSCGKSA-N 0 3 317.458 3.477 20 10 DGCDHN C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cc(F)ccc1[O-] ZINC000281683002 433345561 /nfs/dbraw/zinc/34/55/61/433345561.db2.gz RNEQZYRWJHVVRI-NSHDSACASA-N 0 3 321.421 3.307 20 10 DGCDHN CCOC1(C)CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000292747832 433590749 /nfs/dbraw/zinc/59/07/49/433590749.db2.gz IEVGRKCBYNDMDO-UHFFFAOYSA-N 0 3 313.825 3.445 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293594710 433795705 /nfs/dbraw/zinc/79/57/05/433795705.db2.gz IUGLLOSCSCWPMA-UHFFFAOYSA-N 0 3 313.397 3.274 20 10 DGCDHN Cc1ccc([C@H](C)NCc2ccc(-n3ccnc3)nc2)c(O)c1C ZINC000363862771 434169726 /nfs/dbraw/zinc/16/97/26/434169726.db2.gz ZCTUTRCVNIHOTP-HNNXBMFYSA-N 0 3 322.412 3.441 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c([O-])c1C ZINC000363862771 434169736 /nfs/dbraw/zinc/16/97/36/434169736.db2.gz ZCTUTRCVNIHOTP-HNNXBMFYSA-N 0 3 322.412 3.441 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccccc1[O-] ZINC000295105752 434206557 /nfs/dbraw/zinc/20/65/57/434206557.db2.gz KZIZMQCHZODWBQ-NVXWUHKLSA-N 0 3 303.377 3.176 20 10 DGCDHN CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccs1 ZINC000295992083 434464851 /nfs/dbraw/zinc/46/48/51/434464851.db2.gz NTQKXIJTGTXCKK-KGLIPLIRSA-N 0 3 302.443 3.334 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000359955085 434452409 /nfs/dbraw/zinc/45/24/09/434452409.db2.gz AXBFNIMIQGHJHM-UHFFFAOYSA-N 0 3 300.377 3.381 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC(n3cccn3)CC2)c1O ZINC000359960364 434453111 /nfs/dbraw/zinc/45/31/11/434453111.db2.gz ONMUSSHGJAIIRT-UHFFFAOYSA-N 0 3 321.808 3.088 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(C)cc1[O-] ZINC000368446519 434573997 /nfs/dbraw/zinc/57/39/97/434573997.db2.gz KYZSEFLXRUWGDU-UWWQBHOKSA-N 0 3 305.418 3.079 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CN(C)Cc3ccccc32)c1 ZINC000370376191 434612264 /nfs/dbraw/zinc/61/22/64/434612264.db2.gz XDDZTXHKNZYWNC-SCLBCKFNSA-N 0 3 312.413 3.238 20 10 DGCDHN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185177730 333205069 /nfs/dbraw/zinc/20/50/69/333205069.db2.gz KURPUGOVVSJWJP-GFCCVEGCSA-N 0 3 316.376 3.132 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c([O-])c1 ZINC000185184377 333205162 /nfs/dbraw/zinc/20/51/62/333205162.db2.gz ZLBQVIREFXGLIN-HUUCEWRRSA-N 0 3 312.413 3.056 20 10 DGCDHN CN(C)c1ccc(CNCc2ccnc(C(F)(F)F)c2)cc1 ZINC000295132750 334219237 /nfs/dbraw/zinc/21/92/37/334219237.db2.gz YHRUEZMHINGXHO-UHFFFAOYSA-N 0 3 309.335 3.456 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000296388294 334233228 /nfs/dbraw/zinc/23/32/28/334233228.db2.gz JXTOQIHZZXVQAZ-OWCLPIDISA-N 0 3 324.424 3.043 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000296388294 334233229 /nfs/dbraw/zinc/23/32/29/334233229.db2.gz JXTOQIHZZXVQAZ-OWCLPIDISA-N 0 3 324.424 3.043 20 10 DGCDHN CC[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(C)cc1[O-] ZINC000377580361 500737984 /nfs/dbraw/zinc/73/79/84/500737984.db2.gz BPLNGMKORGTFRJ-TXPKVOOTSA-N 0 3 313.397 3.236 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(F)ccc1[O-] ZINC000176981005 533924559 /nfs/dbraw/zinc/92/45/59/533924559.db2.gz JMXKRMGSFOECBI-NSHDSACASA-N 0 3 303.333 3.153 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000180393955 534454129 /nfs/dbraw/zinc/45/41/29/534454129.db2.gz MYHWBGJCJACSBH-HNNXBMFYSA-N 0 3 304.365 3.051 20 10 DGCDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000189405237 520201423 /nfs/dbraw/zinc/20/14/23/520201423.db2.gz UNHKTURJVCAMSN-JKSUJKDBSA-N 0 3 317.477 3.194 20 10 DGCDHN CCN(CC)[C@@H](C[NH2+]Cc1cccc(C)c1[O-])c1ccco1 ZINC000181256001 520840766 /nfs/dbraw/zinc/84/07/66/520840766.db2.gz XISCLJSMOWDXNG-INIZCTEOSA-N 0 3 302.418 3.466 20 10 DGCDHN CCN(CC)c1ccc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1F ZINC000126633663 520895445 /nfs/dbraw/zinc/89/54/45/520895445.db2.gz KZEYFDDNIQJPAO-XYPWUTKMSA-N 0 3 306.425 3.160 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000267156845 521154024 /nfs/dbraw/zinc/15/40/24/521154024.db2.gz DSUYCDUQTLLURH-SGTLLEGYSA-N 0 3 319.376 3.142 20 10 DGCDHN CCc1nn(C)c(CC)c1C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000156923566 522661442 /nfs/dbraw/zinc/66/14/42/522661442.db2.gz LSRDTWKYEBNVKO-OAHLLOKOSA-N 0 3 301.434 3.491 20 10 DGCDHN COc1cc(O)c(CN(C)[C@@H](C)c2cccc(O)c2)cc1OC ZINC000180178856 522775181 /nfs/dbraw/zinc/77/51/81/522775181.db2.gz PUGQCSGMZPFMGI-LBPRGKRZSA-N 0 3 317.385 3.308 20 10 DGCDHN COc1ccc(O)c(CN(C)CCOCc2ccccc2)c1 ZINC000180713290 524734704 /nfs/dbraw/zinc/73/47/04/524734704.db2.gz ZGMFJVXJWOXJDH-UHFFFAOYSA-N 0 3 301.386 3.049 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1 ZINC000182466299 524763306 /nfs/dbraw/zinc/76/33/06/524763306.db2.gz VEPQYZREZHKTIR-ACJLOTCBSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2ccccc2)c1 ZINC000182432575 524775323 /nfs/dbraw/zinc/77/53/23/524775323.db2.gz QPBYCWMCBBYJAA-QWHCGFSZSA-N 0 3 314.385 3.079 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1C ZINC000266242090 525322573 /nfs/dbraw/zinc/32/25/73/525322573.db2.gz XSLIEOIEPSPHPR-MRXNPFEDSA-N 0 3 317.404 3.089 20 10 DGCDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccccc1O ZINC000179873172 525462797 /nfs/dbraw/zinc/46/27/97/525462797.db2.gz VGXHELGWPYDNBC-LLVKDONJSA-N 0 3 302.330 3.160 20 10 DGCDHN COc1cccc(CNCc2ccc(OC(C)(C)C)nc2)c1O ZINC000180893086 526023842 /nfs/dbraw/zinc/02/38/42/526023842.db2.gz XGQXONSSBXKPIZ-UHFFFAOYSA-N 0 3 316.401 3.263 20 10 DGCDHN CCOc1cccc(CN(C)[C@H]2CCCc3c2cnn3C)c1O ZINC000093863964 528642682 /nfs/dbraw/zinc/64/26/82/528642682.db2.gz YONDUBUVRRJRLI-HNNXBMFYSA-N 0 3 315.417 3.034 20 10 DGCDHN CCOc1ccc(O)c(CN[C@@H](CCOC)c2ccco2)c1 ZINC000272637026 535752406 /nfs/dbraw/zinc/75/24/06/535752406.db2.gz YSGJLTBVKGMSDK-HNNXBMFYSA-N 0 3 305.374 3.251 20 10 DGCDHN CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000731872125 574560617 /nfs/dbraw/zinc/56/06/17/574560617.db2.gz WVRQJFOVSLFOBM-UHFFFAOYSA-N 0 3 318.442 3.226 20 10 DGCDHN COc1cccc(CN(C)c2ccc(OCCN(C)C)cc2)c1 ZINC000732411214 574574131 /nfs/dbraw/zinc/57/41/31/574574131.db2.gz VIBOTOVOKVZPQJ-UHFFFAOYSA-N 0 3 314.429 3.272 20 10 DGCDHN COc1ccc(N2CCCN(Cc3cccc(C)n3)CC2)cc1 ZINC000736307907 574741749 /nfs/dbraw/zinc/74/17/49/574741749.db2.gz BFMLLGRDOOAHLI-UHFFFAOYSA-N 0 3 311.429 3.111 20 10 DGCDHN CCC1(O)CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000742174536 574983724 /nfs/dbraw/zinc/98/37/24/574983724.db2.gz BXSBHNOFXDHGAF-UHFFFAOYSA-N 0 3 315.413 3.291 20 10 DGCDHN COCCOC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742377934 574994100 /nfs/dbraw/zinc/99/41/00/574994100.db2.gz ZSBGYGNMQAZGKD-OAHLLOKOSA-N 0 3 315.413 3.200 20 10 DGCDHN Cc1ncsc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000742368537 574992991 /nfs/dbraw/zinc/99/29/91/574992991.db2.gz CGYXEYMNSOGHAX-CYBMUJFWSA-N 0 3 317.458 3.139 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(F)c3)C1)OCO2 ZINC000729470268 575251031 /nfs/dbraw/zinc/25/10/31/575251031.db2.gz SLPISSFCCVSDLZ-ZDUSSCGKSA-N 0 3 315.344 3.250 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3cccc(F)c3)C1)OCO2 ZINC000729470268 575251035 /nfs/dbraw/zinc/25/10/35/575251035.db2.gz SLPISSFCCVSDLZ-ZDUSSCGKSA-N 0 3 315.344 3.250 20 10 DGCDHN Cc1c(F)cccc1NC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000744401617 575340079 /nfs/dbraw/zinc/34/00/79/575340079.db2.gz FKFQXBKVEASSHY-UHFFFAOYSA-N 0 3 316.376 3.300 20 10 DGCDHN Cc1c(F)cccc1NC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000744401617 575340080 /nfs/dbraw/zinc/34/00/80/575340080.db2.gz FKFQXBKVEASSHY-UHFFFAOYSA-N 0 3 316.376 3.300 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000746134257 575435145 /nfs/dbraw/zinc/43/51/45/575435145.db2.gz OWRPMJCLPAIYFO-IYBDPMFKSA-N 0 3 317.477 3.022 20 10 DGCDHN CCC(CC)[C@@H](CC[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000746760881 575474381 /nfs/dbraw/zinc/47/43/81/575474381.db2.gz JHNDYDKEEPDVNP-OAHLLOKOSA-N 0 3 309.406 3.052 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000747098825 575495648 /nfs/dbraw/zinc/49/56/48/575495648.db2.gz YEIJHXMSXSDLSO-GOSISDBHSA-N 0 3 309.365 3.475 20 10 DGCDHN CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000750827077 575754084 /nfs/dbraw/zinc/75/40/84/575754084.db2.gz VJTVNYCWBRCLNJ-MLGOLLRUSA-N 0 3 322.424 3.039 20 10 DGCDHN CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000750827077 575754086 /nfs/dbraw/zinc/75/40/86/575754086.db2.gz VJTVNYCWBRCLNJ-MLGOLLRUSA-N 0 3 322.424 3.039 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@@H](c1cccs1)C1CC1)OCO2 ZINC000725843943 575927247 /nfs/dbraw/zinc/92/72/47/575927247.db2.gz HZQZAMJBMFMRSU-MRXNPFEDSA-N 0 3 303.383 3.423 20 10 DGCDHN COc1cc(CN2CC3(CCCC3)OC[C@@H]2C)c(O)cc1C ZINC000853576620 620711469 /nfs/dbraw/zinc/71/14/69/620711469.db2.gz CUIAWJUFWKDPQU-AWEZNQCLSA-N 0 3 305.418 3.243 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000154976322 620749724 /nfs/dbraw/zinc/74/97/24/620749724.db2.gz YKEAGHYJPYNDDQ-INMHGKMJSA-N 0 3 320.477 3.321 20 10 DGCDHN CCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252139 617760321 /nfs/dbraw/zinc/76/03/21/617760321.db2.gz GTTFVJXIUISCHD-QGZVFWFLSA-N 0 3 305.466 3.052 20 10 DGCDHN COc1cc(C)cc(CN[C@H]2CCOc3c(F)cccc32)c1O ZINC000894531809 618373839 /nfs/dbraw/zinc/37/38/39/618373839.db2.gz DNWWKHMAROKJEW-HNNXBMFYSA-N 0 3 317.360 3.462 20 10 DGCDHN CC[C@@H](C)c1nc([C@H](C)NCc2cc(C)cc(OC)c2O)n[nH]1 ZINC000894554915 618384858 /nfs/dbraw/zinc/38/48/58/618384858.db2.gz BPFVCVRBZZSHNF-NEPJUHHUSA-N 0 3 318.421 3.192 20 10 DGCDHN COc1cccc(CNCc2cc(C)cc(OC)c2OC)c1O ZINC000894766872 618452691 /nfs/dbraw/zinc/45/26/91/618452691.db2.gz WGOMDAQPXCQWPV-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1OC ZINC000894140238 618718998 /nfs/dbraw/zinc/71/89/98/618718998.db2.gz BAHIXMHHTCAAGH-MWLCHTKSSA-N 0 3 319.323 3.182 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(CC(C)C)nc2)c([O-])c1 ZINC000894184763 618725548 /nfs/dbraw/zinc/72/55/48/618725548.db2.gz GAELEIUMZGCAFR-UHFFFAOYSA-N 0 3 300.402 3.284 20 10 DGCDHN COc1ccc(C[N@H+](CC2CC2)CC2CCC2)c([O-])c1OC ZINC000894184918 618725660 /nfs/dbraw/zinc/72/56/60/618725660.db2.gz HKBZZYRQUNDKFH-UHFFFAOYSA-N 0 3 305.418 3.422 20 10 DGCDHN COc1ccc(C[N@@H+](CC2CC2)CC2CCC2)c([O-])c1OC ZINC000894184918 618725662 /nfs/dbraw/zinc/72/56/62/618725662.db2.gz HKBZZYRQUNDKFH-UHFFFAOYSA-N 0 3 305.418 3.422 20 10 DGCDHN Cc1ccnc(N)c1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000894249936 618739403 /nfs/dbraw/zinc/73/94/03/618739403.db2.gz BOHQPHUOTQFPRV-UHFFFAOYSA-N 0 3 324.472 3.498 20 10 DGCDHN COc1ccc(CNCc2cc(C)cc(OC)c2O)c(F)c1 ZINC000894330703 618765573 /nfs/dbraw/zinc/76/55/73/618765573.db2.gz QBFAAICFEYBXKZ-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN COc1ccc(CN2CC(C)(c3ccccc3)C2)c(O)c1OC ZINC000895512788 618794170 /nfs/dbraw/zinc/79/41/70/618794170.db2.gz KFEDDZUSAQMIGP-UHFFFAOYSA-N 0 3 313.397 3.183 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)c([O-])c1 ZINC000895582146 618804145 /nfs/dbraw/zinc/80/41/45/618804145.db2.gz FLPWCDBZQIVJAO-ZDUSSCGKSA-N 0 3 304.415 3.237 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)c([O-])c1 ZINC000895582146 618804148 /nfs/dbraw/zinc/80/41/48/618804148.db2.gz FLPWCDBZQIVJAO-ZDUSSCGKSA-N 0 3 304.415 3.237 20 10 DGCDHN COc1cccc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000895716564 618821758 /nfs/dbraw/zinc/82/17/58/618821758.db2.gz JCWSRUDNCLUIQE-MRXNPFEDSA-N 0 3 319.445 3.430 20 10 DGCDHN COc1cccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000895716564 618821761 /nfs/dbraw/zinc/82/17/61/618821761.db2.gz JCWSRUDNCLUIQE-MRXNPFEDSA-N 0 3 319.445 3.430 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896229057 618888973 /nfs/dbraw/zinc/88/89/73/618888973.db2.gz YVCOLYQKMVAGJT-LBPRGKRZSA-N 0 3 307.262 3.398 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896229057 618888976 /nfs/dbraw/zinc/88/89/76/618888976.db2.gz YVCOLYQKMVAGJT-LBPRGKRZSA-N 0 3 307.262 3.398 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896811963 618963022 /nfs/dbraw/zinc/96/30/22/618963022.db2.gz QRKHRAJLMNJILW-YPMHNXCESA-N 0 3 307.287 3.121 20 10 DGCDHN CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000896984528 618998856 /nfs/dbraw/zinc/99/88/56/618998856.db2.gz LEUMXGGLTOZHMJ-AWEZNQCLSA-N 0 3 320.433 3.129 20 10 DGCDHN CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000896984528 618998857 /nfs/dbraw/zinc/99/88/57/618998857.db2.gz LEUMXGGLTOZHMJ-AWEZNQCLSA-N 0 3 320.433 3.129 20 10 DGCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(C)cc3[O-])C2)n1 ZINC000897040860 619007008 /nfs/dbraw/zinc/00/70/08/619007008.db2.gz AVWXQGFYPGXNTO-TZMCWYRMSA-N 0 3 301.390 3.072 20 10 DGCDHN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(C)cc3[O-])C2)n1 ZINC000897040858 619007188 /nfs/dbraw/zinc/00/71/88/619007188.db2.gz AVWXQGFYPGXNTO-JSGCOSHPSA-N 0 3 301.390 3.072 20 10 DGCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3c(C)cccc3[O-])C2)n1 ZINC000897042932 619007527 /nfs/dbraw/zinc/00/75/27/619007527.db2.gz IKCOCKIUEJNVPX-CHWSQXEVSA-N 0 3 301.390 3.072 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C2([C@H]3CCCCO3)CC2)c1[O-] ZINC000897387447 619101567 /nfs/dbraw/zinc/10/15/67/619101567.db2.gz XEZVQSXKHKIQGE-CQSZACIVSA-N 0 3 311.809 3.246 20 10 DGCDHN CCOc1ccc(C[NH2+]CC(C)(C)C2CCOCC2)c([O-])c1 ZINC000897451852 619129307 /nfs/dbraw/zinc/12/93/07/619129307.db2.gz RDGCVOXXOSQFHO-UHFFFAOYSA-N 0 3 307.434 3.333 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c([O-])c1 ZINC000926922915 619249633 /nfs/dbraw/zinc/24/96/33/619249633.db2.gz SFDWUDLWGSODCC-STQMWFEESA-N 0 3 316.367 3.378 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(F)ccc1[O-] ZINC000926927269 619250140 /nfs/dbraw/zinc/25/01/40/619250140.db2.gz GCIJEKOJYADYMY-QMMMGPOBSA-N 0 3 317.286 3.134 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(F)ccc1[O-] ZINC000926927268 619250182 /nfs/dbraw/zinc/25/01/82/619250182.db2.gz GCIJEKOJYADYMY-MRVPVSSYSA-N 0 3 317.286 3.134 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1[O-] ZINC000903179556 619730903 /nfs/dbraw/zinc/73/09/03/619730903.db2.gz QHACUBDEGYBBHV-PLMOITTCSA-N 0 3 307.287 3.292 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCc2cnn(CCF)c2)cc1 ZINC000903274355 619750565 /nfs/dbraw/zinc/75/05/65/619750565.db2.gz WCJPOUNGZPJAGK-CQSZACIVSA-N 0 3 304.413 3.160 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)c2c1c(F)ccc2[O-] ZINC000903323242 619755768 /nfs/dbraw/zinc/75/57/68/619755768.db2.gz DICBIDUZHWYMGZ-OTYXRUKQSA-N 0 3 313.332 3.406 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)c2c1c(F)ccc2[O-] ZINC000903323241 619755857 /nfs/dbraw/zinc/75/58/57/619755857.db2.gz DICBIDUZHWYMGZ-LKFCYVNXSA-N 0 3 313.332 3.406 20 10 DGCDHN CC(C)O[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCOC1 ZINC000903357235 619764739 /nfs/dbraw/zinc/76/47/39/619764739.db2.gz LJLUCJYYOZYPSL-IAISJRAMSA-N 0 3 323.408 3.253 20 10 DGCDHN Nc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)nn1 ZINC000904333794 619914281 /nfs/dbraw/zinc/91/42/81/619914281.db2.gz GUDPIVXASDEQEE-UHFFFAOYSA-N 0 3 312.417 3.099 20 10 DGCDHN Nc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)nn1 ZINC000904333794 619914283 /nfs/dbraw/zinc/91/42/83/619914283.db2.gz GUDPIVXASDEQEE-UHFFFAOYSA-N 0 3 312.417 3.099 20 10 DGCDHN CCNC(=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921533015 620903416 /nfs/dbraw/zinc/90/34/16/620903416.db2.gz DQGUCOLQODYCKS-UHFFFAOYSA-N 0 3 324.424 3.051 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000113359211 620905588 /nfs/dbraw/zinc/90/55/88/620905588.db2.gz VYBUTCZISHTOBI-OAHLLOKOSA-N 0 3 320.820 3.393 20 10 DGCDHN CN1Cc2ccccc2[C@@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000921934529 620969928 /nfs/dbraw/zinc/96/99/28/620969928.db2.gz DZASHRWUAMIVER-IBGZPJMESA-N 0 3 308.425 3.288 20 10 DGCDHN CCOCCOCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000922940154 621133718 /nfs/dbraw/zinc/13/37/18/621133718.db2.gz APDGKBHFFKNEAQ-UHFFFAOYSA-N 0 3 315.413 3.202 20 10 DGCDHN CN(C)c1cc(F)c(CNCC(C)(C)OCC2CC2)cc1F ZINC000858177859 621161605 /nfs/dbraw/zinc/16/16/05/621161605.db2.gz HKAFGFBMZMXJRJ-UHFFFAOYSA-N 0 3 312.404 3.326 20 10 DGCDHN C[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccccc1[O-] ZINC000858594414 621208116 /nfs/dbraw/zinc/20/81/16/621208116.db2.gz DFLPMRIWDHRCAL-NVXWUHKLSA-N 0 3 315.413 3.011 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602559 621209177 /nfs/dbraw/zinc/20/91/77/621209177.db2.gz BVOKXQAFTZPJOO-XHDPSFHLSA-N 0 3 322.836 3.158 20 10 DGCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000839148047 621332835 /nfs/dbraw/zinc/33/28/35/621332835.db2.gz VRLFRBUVTIJEQX-BETUJISGSA-N 0 3 314.223 3.120 20 10 DGCDHN CCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000839192026 621347121 /nfs/dbraw/zinc/34/71/21/621347121.db2.gz GEVGYHZQQCUVQR-CYBMUJFWSA-N 0 3 323.433 3.201 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000839192026 621347123 /nfs/dbraw/zinc/34/71/23/621347123.db2.gz GEVGYHZQQCUVQR-CYBMUJFWSA-N 0 3 323.433 3.201 20 10 DGCDHN Oc1ccccc1CN(CCC1(O)CCC1)Cc1ccco1 ZINC000839517843 621381023 /nfs/dbraw/zinc/38/10/23/621381023.db2.gz WBPKCLPVUUUQND-UHFFFAOYSA-N 0 3 301.386 3.293 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCC1(O)CCC1)Cc1ccco1 ZINC000839517843 621381025 /nfs/dbraw/zinc/38/10/25/621381025.db2.gz WBPKCLPVUUUQND-UHFFFAOYSA-N 0 3 301.386 3.293 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCC1(O)CCC1)Cc1ccco1 ZINC000839517843 621381027 /nfs/dbraw/zinc/38/10/27/621381027.db2.gz WBPKCLPVUUUQND-UHFFFAOYSA-N 0 3 301.386 3.293 20 10 DGCDHN C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753571783 621450028 /nfs/dbraw/zinc/45/00/28/621450028.db2.gz XNDNPWROZYQONY-HUUCEWRRSA-N 0 3 315.413 3.220 20 10 DGCDHN COc1cc(C)cc(CN2CCC[C@H]2c2cc(C)no2)c1O ZINC000754728016 621528469 /nfs/dbraw/zinc/52/84/69/621528469.db2.gz VDFQYPDMPJQDOJ-AWEZNQCLSA-N 0 3 302.374 3.343 20 10 DGCDHN CN(C)Cc1ccnc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000862303419 621573897 /nfs/dbraw/zinc/57/38/97/621573897.db2.gz RSCJCOYFWXLSSN-UHFFFAOYSA-N 0 3 320.387 3.100 20 10 DGCDHN O=C1C[C@]2(CCCN(Cc3ccccc3O)C2)Oc2ccccc21 ZINC000862481500 621593572 /nfs/dbraw/zinc/59/35/72/621593572.db2.gz IDQQZNLTUOBIQQ-FQEVSTJZSA-N 0 3 323.392 3.392 20 10 DGCDHN O=C1C[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)Oc2ccccc21 ZINC000862481500 621593574 /nfs/dbraw/zinc/59/35/74/621593574.db2.gz IDQQZNLTUOBIQQ-FQEVSTJZSA-N 0 3 323.392 3.392 20 10 DGCDHN O=C1C[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)Oc2ccccc21 ZINC000862481500 621593577 /nfs/dbraw/zinc/59/35/77/621593577.db2.gz IDQQZNLTUOBIQQ-FQEVSTJZSA-N 0 3 323.392 3.392 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862486099 621594836 /nfs/dbraw/zinc/59/48/36/621594836.db2.gz VNOZKPUCBAGRSY-HIFRSBDPSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862486099 621594838 /nfs/dbraw/zinc/59/48/38/621594838.db2.gz VNOZKPUCBAGRSY-HIFRSBDPSA-N 0 3 305.418 3.192 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000862526796 621596319 /nfs/dbraw/zinc/59/63/19/621596319.db2.gz DSVPFOXUEAOYDY-KGVIQGDOSA-N 0 3 320.502 3.018 20 10 DGCDHN COc1ccccc1OCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000756374076 621632797 /nfs/dbraw/zinc/63/27/97/621632797.db2.gz XSPRNAOUJSAUDB-CQSZACIVSA-N 0 3 301.386 3.439 20 10 DGCDHN CC(C)CN1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756393716 621634737 /nfs/dbraw/zinc/63/47/37/621634737.db2.gz TULCOGPYRITYFS-GFCCVEGCSA-N 0 3 312.404 3.441 20 10 DGCDHN CCN(CC)C(=O)CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756415882 621636945 /nfs/dbraw/zinc/63/69/45/621636945.db2.gz LTNUOLDRJOCPGU-GXTWGEPZSA-N 0 3 322.424 3.318 20 10 DGCDHN Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756537079 621646038 /nfs/dbraw/zinc/64/60/38/621646038.db2.gz ZTFNCEFKNIIUOV-BFVZDQMLSA-N 0 3 303.381 3.472 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)c2c1c(F)ccc2[O-] ZINC000756547327 621647052 /nfs/dbraw/zinc/64/70/52/621647052.db2.gz AVSUZJJKXFHLLN-IAQYHMDHSA-N 0 3 301.361 3.362 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)c2c1c(F)ccc2[O-] ZINC000756547325 621647198 /nfs/dbraw/zinc/64/71/98/621647198.db2.gz AVSUZJJKXFHLLN-ABAIWWIYSA-N 0 3 301.361 3.362 20 10 DGCDHN C[C@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756584856 621651224 /nfs/dbraw/zinc/65/12/24/621651224.db2.gz HDTJTWQPBFDWFW-TUKIKUTGSA-N 0 3 301.361 3.403 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c2c1c(F)ccc2[O-] ZINC000756606027 621652337 /nfs/dbraw/zinc/65/23/37/621652337.db2.gz KPZAEMYEKBGOKA-NFOJOHSHSA-N 0 3 305.393 3.483 20 10 DGCDHN CC(C)[NH+](CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756626746 621653626 /nfs/dbraw/zinc/65/36/26/621653626.db2.gz CDZKDXPXGGRAPD-CQSZACIVSA-N 0 3 323.437 3.460 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCOc2ncccc2F)c2c1c(F)ccc2[O-] ZINC000756761886 621662583 /nfs/dbraw/zinc/66/25/83/621662583.db2.gz RQZOUXDYTWPEIJ-GWCFXTLKSA-N 0 3 320.339 3.282 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)n2)c2c1c(F)ccc2[O-] ZINC000756770276 621663300 /nfs/dbraw/zinc/66/33/00/621663300.db2.gz VTVSXOOMLYOEDW-SMDDNHRTSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@H]1C[C@@H](NCc2cccc(N(C)C)n2)c2c1c(F)ccc2O ZINC000756770276 621663302 /nfs/dbraw/zinc/66/33/02/621663302.db2.gz VTVSXOOMLYOEDW-SMDDNHRTSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c2c1c(F)ccc2[O-] ZINC000756783443 621664360 /nfs/dbraw/zinc/66/43/60/621664360.db2.gz YWNAAJKEUBBBMM-LSIMKLPESA-N 0 3 321.392 3.007 20 10 DGCDHN OC[C@H](CC(F)(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000756994736 621677943 /nfs/dbraw/zinc/67/79/43/621677943.db2.gz YXQGPFUBRKWANL-AWEZNQCLSA-N 0 3 316.367 3.080 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000761192360 621993163 /nfs/dbraw/zinc/99/31/63/621993163.db2.gz LJKFKATWHSKXKX-UHFFFAOYSA-N 0 3 308.422 3.127 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000761192360 621993165 /nfs/dbraw/zinc/99/31/65/621993165.db2.gz LJKFKATWHSKXKX-UHFFFAOYSA-N 0 3 308.422 3.127 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccncc2)c1[O-] ZINC000761207830 621994174 /nfs/dbraw/zinc/99/41/74/621994174.db2.gz TWDRDRXOTMLUBX-NSHDSACASA-N 0 3 306.793 3.170 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)COC3)c1[O-] ZINC000761214357 621994841 /nfs/dbraw/zinc/99/48/41/621994841.db2.gz CNXSUJRUYRADHU-UHFFFAOYSA-N 0 3 319.788 3.374 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2c3ccccc3CN2C)c([O-])c1 ZINC000865806673 621998555 /nfs/dbraw/zinc/99/85/55/621998555.db2.gz MLAJKKXAJHUVJZ-GOSISDBHSA-N 0 3 312.413 3.067 20 10 DGCDHN Cn1nccc1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000762556753 622083672 /nfs/dbraw/zinc/08/36/72/622083672.db2.gz QNZOTMZNUVEHSM-UHFFFAOYSA-N 0 3 307.397 3.125 20 10 DGCDHN Cn1cc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c2cccnc21 ZINC000866572597 622140999 /nfs/dbraw/zinc/14/09/99/622140999.db2.gz CPVJBDUWHKDFAC-MRXNPFEDSA-N 0 3 307.397 3.099 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000763533060 622150683 /nfs/dbraw/zinc/15/06/83/622150683.db2.gz YYADCPKSIFBOFW-PBHICJAKSA-N 0 3 307.434 3.474 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000767927134 622428891 /nfs/dbraw/zinc/42/88/91/622428891.db2.gz ORZQPXCFPLKZLX-OAHLLOKOSA-N 0 3 305.418 3.372 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CCOc2ccccc2F)c([O-])c1 ZINC000768214089 622445478 /nfs/dbraw/zinc/44/54/78/622445478.db2.gz ZHKBUSMIKQVYED-UHFFFAOYSA-N 0 3 319.376 3.441 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CCOc2ccccc2F)c([O-])c1 ZINC000768214089 622445479 /nfs/dbraw/zinc/44/54/79/622445479.db2.gz ZHKBUSMIKQVYED-UHFFFAOYSA-N 0 3 319.376 3.441 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC(CCO)CC2)cc1F ZINC000768237391 622447226 /nfs/dbraw/zinc/44/72/26/622447226.db2.gz QTSYEGNDFQIOQD-UHFFFAOYSA-N 0 3 308.441 3.266 20 10 DGCDHN CC(C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437806 622455531 /nfs/dbraw/zinc/45/55/31/622455531.db2.gz IKCSKMOWLBAMGG-GOSISDBHSA-N 0 3 313.397 3.229 20 10 DGCDHN CC(C)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437806 622455533 /nfs/dbraw/zinc/45/55/33/622455533.db2.gz IKCSKMOWLBAMGG-GOSISDBHSA-N 0 3 313.397 3.229 20 10 DGCDHN COc1cc(CN2CCC[C@H]2c2cc(C)no2)c(O)cc1C ZINC000768438986 622455563 /nfs/dbraw/zinc/45/55/63/622455563.db2.gz DSDWYQWYNFKRFJ-AWEZNQCLSA-N 0 3 302.374 3.343 20 10 DGCDHN CCc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768437965 622455602 /nfs/dbraw/zinc/45/56/02/622455602.db2.gz LOHDTICFSOIXGA-GOSISDBHSA-N 0 3 313.397 3.012 20 10 DGCDHN CCc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768437965 622455605 /nfs/dbraw/zinc/45/56/05/622455605.db2.gz LOHDTICFSOIXGA-GOSISDBHSA-N 0 3 313.397 3.012 20 10 DGCDHN C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768443048 622456080 /nfs/dbraw/zinc/45/60/80/622456080.db2.gz YBQMOZWONSGMHX-RHSMWYFYSA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768443048 622456082 /nfs/dbraw/zinc/45/60/82/622456082.db2.gz YBQMOZWONSGMHX-RHSMWYFYSA-N 0 3 324.424 3.145 20 10 DGCDHN CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464124 622458022 /nfs/dbraw/zinc/45/80/22/622458022.db2.gz ZYSOYWKFQHXDMQ-NUTKFTJISA-N 0 3 305.418 3.219 20 10 DGCDHN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464124 622458023 /nfs/dbraw/zinc/45/80/23/622458023.db2.gz ZYSOYWKFQHXDMQ-NUTKFTJISA-N 0 3 305.418 3.219 20 10 DGCDHN CCC[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768466509 622458844 /nfs/dbraw/zinc/45/88/44/622458844.db2.gz QWYRYNFBRUWEIA-WMZOPIPTSA-N 0 3 305.418 3.220 20 10 DGCDHN CCC[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768466509 622458846 /nfs/dbraw/zinc/45/88/46/622458846.db2.gz QWYRYNFBRUWEIA-WMZOPIPTSA-N 0 3 305.418 3.220 20 10 DGCDHN COc1cccc(O)c1CN(C)C[C@H]1OCCc2ccccc21 ZINC000769022278 622493068 /nfs/dbraw/zinc/49/30/68/622493068.db2.gz KFDMWZYBPLIYKR-LJQANCHMSA-N 0 3 313.397 3.147 20 10 DGCDHN CCN(CC)c1ccc(CN2CCCC[C@@H]2C2OCCO2)cc1 ZINC000769301145 622515353 /nfs/dbraw/zinc/51/53/53/622515353.db2.gz MDLZUJCFKNZBEJ-GOSISDBHSA-N 0 3 318.461 3.260 20 10 DGCDHN CCOc1ccc(C[N@H+](CCCO)Cc2ccccc2)c([O-])c1 ZINC000769325761 622517593 /nfs/dbraw/zinc/51/75/93/622517593.db2.gz AQYZYMSEMRHHRK-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN CCOc1ccc(C[N@@H+](CCCO)Cc2ccccc2)c([O-])c1 ZINC000769325761 622517596 /nfs/dbraw/zinc/51/75/96/622517596.db2.gz AQYZYMSEMRHHRK-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN CCN(CC)c1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000769413471 622525626 /nfs/dbraw/zinc/52/56/26/622525626.db2.gz RILMHAPQVDKMSE-UHFFFAOYSA-N 0 3 301.478 3.203 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000770319736 622620894 /nfs/dbraw/zinc/62/08/94/622620894.db2.gz BGCYEBNKSIWDPJ-CJNGLKHVSA-N 0 3 317.385 3.082 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000770319736 622620895 /nfs/dbraw/zinc/62/08/95/622620895.db2.gz BGCYEBNKSIWDPJ-CJNGLKHVSA-N 0 3 317.385 3.082 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770665022 622657865 /nfs/dbraw/zinc/65/78/65/622657865.db2.gz NLYIPHDJWUNMCA-IBGZPJMESA-N 0 3 311.381 3.032 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770665022 622657868 /nfs/dbraw/zinc/65/78/68/622657868.db2.gz NLYIPHDJWUNMCA-IBGZPJMESA-N 0 3 311.381 3.032 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)CC2 ZINC000872110491 622813035 /nfs/dbraw/zinc/81/30/35/622813035.db2.gz JMEBOEOUFUXTEA-SECBINFHSA-N 0 3 311.250 3.141 20 10 DGCDHN CCn1nc(C)c(CN(C)Cc2cc(C)c(C)cc2O)c1C ZINC000872632459 622945342 /nfs/dbraw/zinc/94/53/42/622945342.db2.gz RRDWOCTVHLAKEX-UHFFFAOYSA-N 0 3 301.434 3.474 20 10 DGCDHN COc1cc(Br)cc(CN2CCC[C@H]2C)c1O ZINC000124299510 622994863 /nfs/dbraw/zinc/99/48/63/622994863.db2.gz RHSCEOBIXVAUAN-SECBINFHSA-N 0 3 300.196 3.148 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CCCCC(=O)OC(C)(C)C ZINC000773426617 623025890 /nfs/dbraw/zinc/02/58/90/623025890.db2.gz FMEMFAJNMWMJJD-UHFFFAOYSA-N 0 3 309.406 3.002 20 10 DGCDHN CCN(Cc1cccc(C)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000775695585 623314377 /nfs/dbraw/zinc/31/43/77/623314377.db2.gz NWESAYPVRVQBMK-GOSISDBHSA-N 0 3 324.424 3.328 20 10 DGCDHN C[C@H](NCC(=O)NCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775830135 623338819 /nfs/dbraw/zinc/33/88/19/623338819.db2.gz DDMQDOOGKTUMIQ-HNNXBMFYSA-N 0 3 317.477 3.100 20 10 DGCDHN C[C@H](NCC(=O)NC1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000775835398 623339706 /nfs/dbraw/zinc/33/97/06/623339706.db2.gz YBLISCHSOYAJIX-CKDBGZEDSA-N 0 3 317.477 3.098 20 10 DGCDHN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc2c(cc1O)OCO2 ZINC000776012677 623363459 /nfs/dbraw/zinc/36/34/59/623363459.db2.gz IPWVUHSOKOGNNH-KOLCDFICSA-N 0 3 317.307 3.284 20 10 DGCDHN CN(C)c1ccc(CN2CCOCC3(CCCC3)C2)cc1F ZINC000776010089 623363745 /nfs/dbraw/zinc/36/37/45/623363745.db2.gz XRKBAFUGBNIOKP-UHFFFAOYSA-N 0 3 306.425 3.284 20 10 DGCDHN COc1cc(O)c(CNC2(c3ccc(F)cc3)CC2)cc1OC ZINC000776173973 623390656 /nfs/dbraw/zinc/39/06/56/623390656.db2.gz SGDFKOJVLRRXQR-UHFFFAOYSA-N 0 3 317.360 3.327 20 10 DGCDHN Cc1nn(C)c2ncc(CN[C@@H](C)c3ccc(N(C)C)cc3)cc12 ZINC000776942881 623477744 /nfs/dbraw/zinc/47/77/44/623477744.db2.gz XKALWBVVUJYVSZ-ZDUSSCGKSA-N 0 3 323.444 3.194 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@]2(C)CCCOC2)c1[O-] ZINC000777507900 623533938 /nfs/dbraw/zinc/53/39/38/623533938.db2.gz RWZQZSMGUHBGAV-AWEZNQCLSA-N 0 3 314.223 3.122 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](OC)C1CCOCC1 ZINC000876654404 623671498 /nfs/dbraw/zinc/67/14/98/623671498.db2.gz FEMDNFWCAPDIIW-GOSISDBHSA-N 0 3 307.434 3.046 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](OC)C1CCOCC1 ZINC000876654404 623671499 /nfs/dbraw/zinc/67/14/99/623671499.db2.gz FEMDNFWCAPDIIW-GOSISDBHSA-N 0 3 307.434 3.046 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876658285 623672513 /nfs/dbraw/zinc/67/25/13/623672513.db2.gz RRQAOKASFWLAEY-CVEARBPZSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876658285 623672515 /nfs/dbraw/zinc/67/25/15/623672515.db2.gz RRQAOKASFWLAEY-CVEARBPZSA-N 0 3 318.461 3.217 20 10 DGCDHN CCCCCC(=O)NC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876656458 623672521 /nfs/dbraw/zinc/67/25/21/623672521.db2.gz AEYJEZKMDNNWOU-UHFFFAOYSA-N 0 3 318.461 3.362 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000876807468 623711500 /nfs/dbraw/zinc/71/15/00/623711500.db2.gz FASODUOLSUIYHP-PBHICJAKSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000876807468 623711503 /nfs/dbraw/zinc/71/15/03/623711503.db2.gz FASODUOLSUIYHP-PBHICJAKSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000876809186 623712613 /nfs/dbraw/zinc/71/26/13/623712613.db2.gz XEOYFNXIRGUXIR-WBVHZDCISA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000876809186 623712620 /nfs/dbraw/zinc/71/26/20/623712620.db2.gz XEOYFNXIRGUXIR-WBVHZDCISA-N 0 3 301.386 3.382 20 10 DGCDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000779000413 623719832 /nfs/dbraw/zinc/71/98/32/623719832.db2.gz VIIZHNZFPLBWCK-VBQJREDUSA-N 0 3 306.425 3.369 20 10 DGCDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000779000413 623719834 /nfs/dbraw/zinc/71/98/34/623719834.db2.gz VIIZHNZFPLBWCK-VBQJREDUSA-N 0 3 306.425 3.369 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c([O-])c1 ZINC000779187882 623740073 /nfs/dbraw/zinc/74/00/73/623740073.db2.gz AOULLGVRSVNNAI-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c([O-])c1 ZINC000779187882 623740078 /nfs/dbraw/zinc/74/00/78/623740078.db2.gz AOULLGVRSVNNAI-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000779199090 623741037 /nfs/dbraw/zinc/74/10/37/623741037.db2.gz SYNJRBBOMHATGA-HNNXBMFYSA-N 0 3 315.413 3.486 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000876969902 623757248 /nfs/dbraw/zinc/75/72/48/623757248.db2.gz CXOAMNOJJGRIQJ-OAHLLOKOSA-N 0 3 314.404 3.456 20 10 DGCDHN COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877083500 623787202 /nfs/dbraw/zinc/78/72/02/623787202.db2.gz BQONKIYSKKSKSH-INIZCTEOSA-N 0 3 312.413 3.078 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000877374859 623861198 /nfs/dbraw/zinc/86/11/98/623861198.db2.gz PRSUDVDJKCGNCR-KRWDZBQOSA-N 0 3 305.805 3.351 20 10 DGCDHN CCN(CC[NH2+]Cc1ccc(C)cc1[O-])CCC(F)(F)F ZINC000877475633 623899379 /nfs/dbraw/zinc/89/93/79/623899379.db2.gz KNHFMGXTVOVANL-UHFFFAOYSA-N 0 3 304.356 3.065 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C ZINC000877506386 623916175 /nfs/dbraw/zinc/91/61/75/623916175.db2.gz VYPATDMOILAAFT-CYBMUJFWSA-N 0 3 308.422 3.094 20 10 DGCDHN Cc1ccc(O)c(CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000877590479 623954960 /nfs/dbraw/zinc/95/49/60/623954960.db2.gz ZYFFHFQQLLHNKC-FQEVSTJZSA-N 0 3 323.392 3.311 20 10 DGCDHN COc1cccc([C@@H](C[NH2+]Cc2ccc(C)cc2[O-])OC)c1 ZINC000877647926 623977662 /nfs/dbraw/zinc/97/76/62/623977662.db2.gz JOKYUIOSSDNSEK-GOSISDBHSA-N 0 3 301.386 3.187 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672645 623987353 /nfs/dbraw/zinc/98/73/53/623987353.db2.gz JOWUOEWHJZDJLD-IAGOWNOFSA-N 0 3 301.361 3.229 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672645 623987355 /nfs/dbraw/zinc/98/73/55/623987355.db2.gz JOWUOEWHJZDJLD-IAGOWNOFSA-N 0 3 301.361 3.229 20 10 DGCDHN CC(=O)Nc1cccc2c1CN(Cc1c(C)cccc1O)CC2 ZINC000877681122 623988706 /nfs/dbraw/zinc/98/87/06/623988706.db2.gz GAWDYZCQPFAZPL-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@@H]([C@@H](C)O)C2)cc1F ZINC000780892552 623994285 /nfs/dbraw/zinc/99/42/85/623994285.db2.gz LIIIWFFRTVURPZ-GDBMZVCRSA-N 0 3 308.441 3.265 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C[C@H]1C ZINC000877755510 624021803 /nfs/dbraw/zinc/02/18/03/624021803.db2.gz CZOWFVNGMCHQJQ-APIJFGDWSA-N 0 3 305.418 3.411 20 10 DGCDHN C[C@@H]([NH2+]CCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000877755854 624021818 /nfs/dbraw/zinc/02/18/18/624021818.db2.gz OPCZSTJADKRYKV-CYBMUJFWSA-N 0 3 320.433 3.300 20 10 DGCDHN COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757167 624022654 /nfs/dbraw/zinc/02/26/54/624022654.db2.gz KRRXUZQHKHGPDY-ZDUSSCGKSA-N 0 3 317.385 3.234 20 10 DGCDHN COCOc1ccc(OC)cc1CN[C@@H](C)c1ccccc1O ZINC000877757167 624022657 /nfs/dbraw/zinc/02/26/57/624022657.db2.gz KRRXUZQHKHGPDY-ZDUSSCGKSA-N 0 3 317.385 3.234 20 10 DGCDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc2c1OCCO2 ZINC000877757110 624023297 /nfs/dbraw/zinc/02/32/97/624023297.db2.gz GZDHREYMSYLGJJ-LBPRGKRZSA-N 0 3 315.369 3.023 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1[O-] ZINC000877758026 624024067 /nfs/dbraw/zinc/02/40/67/624024067.db2.gz DPIPZUCPRRTANS-WMLDXEAASA-N 0 3 313.397 3.411 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H](O)C2CCCC2)c1[O-] ZINC000877777431 624032549 /nfs/dbraw/zinc/03/25/49/624032549.db2.gz AKZVFRYJASVXJA-CQSZACIVSA-N 0 3 313.825 3.085 20 10 DGCDHN CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000877777982 624033365 /nfs/dbraw/zinc/03/33/65/624033365.db2.gz HZESOYBDNAYMRR-ZWNOBZJWSA-N 0 3 316.239 3.102 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1[O-] ZINC000877807515 624040395 /nfs/dbraw/zinc/04/03/95/624040395.db2.gz WTYDTUGKJOBCJA-BPNCWPANSA-N 0 3 311.809 3.101 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(O)CCCCC1 ZINC000878152796 624192121 /nfs/dbraw/zinc/19/21/21/624192121.db2.gz YQNNRPZGDSPSDD-KRWDZBQOSA-N 0 3 321.461 3.050 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(O)CCCCC1 ZINC000878152796 624192123 /nfs/dbraw/zinc/19/21/23/624192123.db2.gz YQNNRPZGDSPSDD-KRWDZBQOSA-N 0 3 321.461 3.050 20 10 DGCDHN C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1[O-] ZINC000783503109 624359243 /nfs/dbraw/zinc/35/92/43/624359243.db2.gz GQNWHHZELUSXGM-WMLDXEAASA-N 0 3 312.413 3.262 20 10 DGCDHN C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1[O-] ZINC000805747642 624366722 /nfs/dbraw/zinc/36/67/22/624366722.db2.gz DPHJJQONTOSEJB-SWLSCSKDSA-N 0 3 305.805 3.300 20 10 DGCDHN CCOc1cccc(CN[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000784265523 624468585 /nfs/dbraw/zinc/46/85/85/624468585.db2.gz KLVCZJQENBEDLY-LBPRGKRZSA-N 0 3 302.374 3.045 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879648514 624621103 /nfs/dbraw/zinc/62/11/03/624621103.db2.gz RRZVNLWXYBDNPS-SQWLQELKSA-N 0 3 304.434 3.080 20 10 DGCDHN CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879647389 624621488 /nfs/dbraw/zinc/62/14/88/624621488.db2.gz BOTGZJPNQAIDDV-HUUCEWRRSA-N 0 3 312.413 3.484 20 10 DGCDHN C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1[O-] ZINC000879649155 624622901 /nfs/dbraw/zinc/62/29/01/624622901.db2.gz JRZZEXZVPABSCB-CQSZACIVSA-N 0 3 318.461 3.328 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1ccccc1[O-] ZINC000879652850 624626814 /nfs/dbraw/zinc/62/68/14/624626814.db2.gz IZLMRPUHDWXUJW-SLTAFYQDSA-N 0 3 304.434 3.080 20 10 DGCDHN Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000786579380 624924831 /nfs/dbraw/zinc/92/48/31/624924831.db2.gz RDUDQAHBUKDYNU-KRWDZBQOSA-N 0 3 319.832 3.356 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCc2cccn(CC)c2=O)cc1 ZINC000788606123 625226926 /nfs/dbraw/zinc/22/69/26/625226926.db2.gz WGUFHSBRWNTWHJ-OAHLLOKOSA-N 0 3 313.445 3.175 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000788800841 625269928 /nfs/dbraw/zinc/26/99/28/625269928.db2.gz IORSGGJQZALHIP-KFWWJZLASA-N 0 3 305.418 3.391 20 10 DGCDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1c([O-])ccc(Cl)c1F ZINC000790956131 625722203 /nfs/dbraw/zinc/72/22/03/625722203.db2.gz OHDKYFPGSCJGMT-NEPJUHHUSA-N 0 3 314.832 3.395 20 10 DGCDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCc1c([O-])ccc(Cl)c1F ZINC000790956131 625722208 /nfs/dbraw/zinc/72/22/08/625722208.db2.gz OHDKYFPGSCJGMT-NEPJUHHUSA-N 0 3 314.832 3.395 20 10 DGCDHN COc1ccc(N2CC[C@H](NCc3ccc(SC)o3)C2)cc1 ZINC000883166092 625949468 /nfs/dbraw/zinc/94/94/68/625949468.db2.gz RXXJTUBGNHKHRR-ZDUSSCGKSA-N 0 3 318.442 3.379 20 10 DGCDHN Cc1cccc2oc(CC[NH2+]Cc3cc(F)ccc3[O-])nc21 ZINC000799118975 626274190 /nfs/dbraw/zinc/27/41/90/626274190.db2.gz DHLHDDRFNJRMJG-UHFFFAOYSA-N 0 3 300.333 3.313 20 10 DGCDHN COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706193 626372908 /nfs/dbraw/zinc/37/29/08/626372908.db2.gz FBTFCXRAGGLLBK-RYUDHWBXSA-N 0 3 301.814 3.056 20 10 DGCDHN CCCCN(Cc1ccccc1O)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000801546203 626409250 /nfs/dbraw/zinc/40/92/50/626409250.db2.gz JPNLMGFHLYBHII-HOTGVXAUSA-N 0 3 318.461 3.394 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@H](C)CC ZINC000801598171 626411846 /nfs/dbraw/zinc/41/18/46/626411846.db2.gz WOONZYLKLBJXSM-HUUCEWRRSA-N 0 3 306.450 3.298 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@H](C)CC ZINC000801598171 626411848 /nfs/dbraw/zinc/41/18/48/626411848.db2.gz WOONZYLKLBJXSM-HUUCEWRRSA-N 0 3 306.450 3.298 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c1[O-] ZINC000883277393 626634445 /nfs/dbraw/zinc/63/44/45/626634445.db2.gz ZCELEYLOQUSEHV-GXTWGEPZSA-N 0 3 323.820 3.449 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)N(C)[C@@H](C)C3)c2c1 ZINC000840090634 626754429 /nfs/dbraw/zinc/75/44/29/626754429.db2.gz REZFFUAWSVORGB-OKILXGFUSA-N 0 3 314.429 3.078 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)N(C)[C@@H](C)C3)c2c1 ZINC000840090634 626754431 /nfs/dbraw/zinc/75/44/31/626754431.db2.gz REZFFUAWSVORGB-OKILXGFUSA-N 0 3 314.429 3.078 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCCC2=O)c1[O-] ZINC000808672392 626847998 /nfs/dbraw/zinc/84/79/98/626847998.db2.gz MCMSGRHFEWNDSQ-GFCCVEGCSA-N 0 3 310.825 3.017 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1[O-] ZINC000808679316 626848673 /nfs/dbraw/zinc/84/86/73/626848673.db2.gz KSFNYWHHWBNIRS-RYUDHWBXSA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCSCCCO)c1[O-] ZINC000808692842 626849988 /nfs/dbraw/zinc/84/99/88/626849988.db2.gz VDAANUGJAATUGS-NSHDSACASA-N 0 3 303.855 3.120 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000808706794 626851764 /nfs/dbraw/zinc/85/17/64/626851764.db2.gz VANTYJJLFCCCMI-ZWNOBZJWSA-N 0 3 305.809 3.285 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000808706791 626851781 /nfs/dbraw/zinc/85/17/81/626851781.db2.gz VANTYJJLFCCCMI-GWCFXTLKSA-N 0 3 305.809 3.285 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1[O-] ZINC000808707858 626851917 /nfs/dbraw/zinc/85/19/17/626851917.db2.gz AXQQACXKCGBOIN-WCBMZHEXSA-N 0 3 311.731 3.318 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1[O-] ZINC000808717585 626853160 /nfs/dbraw/zinc/85/31/60/626853160.db2.gz FECJVWUWQPOBJE-RYUDHWBXSA-N 0 3 310.825 3.016 20 10 DGCDHN CC(C)(C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840148804 626868784 /nfs/dbraw/zinc/86/87/84/626868784.db2.gz ANTOCHDWFMQVFW-BLLLJJGKSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840148804 626868788 /nfs/dbraw/zinc/86/87/88/626868788.db2.gz ANTOCHDWFMQVFW-BLLLJJGKSA-N 0 3 305.418 3.076 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1nc2ccccc2s1 ZINC000809728151 626942373 /nfs/dbraw/zinc/94/23/73/626942373.db2.gz NCOYTSXNQWJUSL-UHFFFAOYSA-N 0 3 302.374 3.473 20 10 DGCDHN C[NH+](C)CCN(Cc1ccco1)Cc1c([O-])cccc1Cl ZINC000809745561 626945453 /nfs/dbraw/zinc/94/54/53/626945453.db2.gz BMBNYFMNYKBWRU-UHFFFAOYSA-N 0 3 308.809 3.202 20 10 DGCDHN CCCN(CCC[NH+](C)C)Cc1c([O-])ccc(Cl)c1F ZINC000809756275 626947417 /nfs/dbraw/zinc/94/74/17/626947417.db2.gz NDFIZRYMIQIZQV-UHFFFAOYSA-N 0 3 302.821 3.348 20 10 DGCDHN CCC[N@H+](CCCN(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000809756275 626947419 /nfs/dbraw/zinc/94/74/19/626947419.db2.gz NDFIZRYMIQIZQV-UHFFFAOYSA-N 0 3 302.821 3.348 20 10 DGCDHN CCC[N@@H+](CCCN(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000809756275 626947422 /nfs/dbraw/zinc/94/74/22/626947422.db2.gz NDFIZRYMIQIZQV-UHFFFAOYSA-N 0 3 302.821 3.348 20 10 DGCDHN C[C@H](NCc1c2c(nn1C)CCCC2)c1ccc(N(C)C)cc1 ZINC000812737980 627414777 /nfs/dbraw/zinc/41/47/77/627414777.db2.gz UZESJLCUHULBBA-AWEZNQCLSA-N 0 3 312.461 3.216 20 10 DGCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(C(=O)N(C)C)cc1 ZINC000813857693 627516041 /nfs/dbraw/zinc/51/60/41/627516041.db2.gz YOJRJGJLWNDOJN-AWEZNQCLSA-N 0 3 324.424 3.174 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cnn(CC(F)F)c2)cc1 ZINC000814289527 627556676 /nfs/dbraw/zinc/55/66/76/627556676.db2.gz PYSQEYPJFRJBPG-UHFFFAOYSA-N 0 3 322.403 3.284 20 10 DGCDHN CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560716 627685123 /nfs/dbraw/zinc/68/51/23/627685123.db2.gz NYFNUEYFTAZFIK-NWDGAFQWSA-N 0 3 316.367 3.403 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(C)cc1[O-] ZINC000817585698 627926129 /nfs/dbraw/zinc/92/61/29/627926129.db2.gz GXPWBRLZVUZXEL-IIAWOOMASA-N 0 3 304.434 3.033 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccc(C)cc1[O-] ZINC000817587291 627926798 /nfs/dbraw/zinc/92/67/98/627926798.db2.gz DKVOSHCBOAAZSB-ZBFHGGJFSA-N 0 3 307.434 3.325 20 10 DGCDHN C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968763 627978771 /nfs/dbraw/zinc/97/87/71/627978771.db2.gz MBVRPDBONKOVEK-AUTRQRHGSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968765 627978781 /nfs/dbraw/zinc/97/87/81/627978781.db2.gz MBVRPDBONKOVEK-PTRXPTGYSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c2c1c(F)ccc2[O-] ZINC000927059562 628004736 /nfs/dbraw/zinc/00/47/36/628004736.db2.gz DIBFOXNHKSHOQJ-ZCNHVBTFSA-N 0 3 321.392 3.352 20 10 DGCDHN COc1ccc(N2CC[C@@H](CNCc3ncc(C)s3)C2)cc1 ZINC000818222870 628006506 /nfs/dbraw/zinc/00/65/06/628006506.db2.gz XMHABWBYKCUIOU-AWEZNQCLSA-N 0 3 317.458 3.076 20 10 DGCDHN C[C@H](N[C@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl ZINC000818356005 628017960 /nfs/dbraw/zinc/01/79/60/628017960.db2.gz HRFABOQRSHFYGV-LRDDRELGSA-N 0 3 306.837 3.380 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529823 628461878 /nfs/dbraw/zinc/46/18/78/628461878.db2.gz JTJTTZLJUSHRGD-QGZVFWFLSA-N 0 3 305.393 3.312 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529823 628461881 /nfs/dbraw/zinc/46/18/81/628461881.db2.gz JTJTTZLJUSHRGD-QGZVFWFLSA-N 0 3 305.393 3.312 20 10 DGCDHN Cc1cc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])ccn1 ZINC000824596134 628675395 /nfs/dbraw/zinc/67/53/95/628675395.db2.gz FWASOSBUDMDWPZ-UHFFFAOYSA-N 0 3 321.218 3.456 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726257 628687730 /nfs/dbraw/zinc/68/77/30/628687730.db2.gz JXXGFIBMBVZTLD-GOSISDBHSA-N 0 3 319.351 3.261 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726257 628687731 /nfs/dbraw/zinc/68/77/31/628687731.db2.gz JXXGFIBMBVZTLD-GOSISDBHSA-N 0 3 319.351 3.261 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c([O-])c1 ZINC000824845366 628699513 /nfs/dbraw/zinc/69/95/13/628699513.db2.gz KFDCQLAXCQJSRU-SJLPKXTDSA-N 0 3 309.450 3.170 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000824854940 628700423 /nfs/dbraw/zinc/70/04/23/628700423.db2.gz DRIOFFQUEOJCLE-AWEZNQCLSA-N 0 3 308.853 3.272 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1[O-] ZINC000826869032 628897529 /nfs/dbraw/zinc/89/75/29/628897529.db2.gz ZLBDPEYVBQXNLU-CYBMUJFWSA-N 0 3 312.841 3.017 20 10 DGCDHN COc1cc(Cl)cc(CN[C@@H]2C[C@@H](O)c3ccccc32)c1O ZINC000827179388 628932641 /nfs/dbraw/zinc/93/26/41/628932641.db2.gz WLPYBWTVORZCEQ-HUUCEWRRSA-N 0 3 319.788 3.322 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1[O-] ZINC000827179388 628932645 /nfs/dbraw/zinc/93/26/45/628932645.db2.gz WLPYBWTVORZCEQ-HUUCEWRRSA-N 0 3 319.788 3.322 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000827377025 628953851 /nfs/dbraw/zinc/95/38/51/628953851.db2.gz NQCIHSPVJCQVSQ-KRWDZBQOSA-N 0 3 305.418 3.182 20 10 DGCDHN CC(C)CC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000828062554 629019572 /nfs/dbraw/zinc/01/95/72/629019572.db2.gz KGAMPULNKYQARX-SFHVURJKSA-N 0 3 319.445 3.379 20 10 DGCDHN CC(C)CC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000828062554 629019574 /nfs/dbraw/zinc/01/95/74/629019574.db2.gz KGAMPULNKYQARX-SFHVURJKSA-N 0 3 319.445 3.379 20 10 DGCDHN COC(=O)c1cnc(SCCN(C)Cc2ccccc2)s1 ZINC000829678130 629181321 /nfs/dbraw/zinc/18/13/21/629181321.db2.gz ZZZKCJXIZXXVGE-UHFFFAOYSA-N 0 3 322.455 3.154 20 10 DGCDHN COc1cccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c1OC ZINC000834517917 629719483 /nfs/dbraw/zinc/71/94/83/629719483.db2.gz AKSXCQNTJBZTSC-HNNXBMFYSA-N 0 3 313.397 3.229 20 10 DGCDHN C[C@H]1CCCN(C(C)(C)C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834531454 629720936 /nfs/dbraw/zinc/72/09/36/629720936.db2.gz ZMIQSRMYNUBNFZ-HOCLYGCPSA-N 0 3 302.462 3.480 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1COc3ccccc3O1)CC2 ZINC000834685514 629757100 /nfs/dbraw/zinc/75/71/00/629757100.db2.gz YNXJNBFIANJURI-LSDHHAIUSA-N 0 3 311.381 3.199 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3SCCS[C@@H]13)CC2 ZINC000834697181 629760493 /nfs/dbraw/zinc/76/04/93/629760493.db2.gz HBUUCTSCBAYXJN-HLSYRSCKSA-N 0 3 307.484 3.349 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1[O-] ZINC000834896763 629800825 /nfs/dbraw/zinc/80/08/25/629800825.db2.gz NOCJJTXWPZIOJB-NWDGAFQWSA-N 0 3 307.825 3.369 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@@](C)(CO)c2ccccc2)cc1 ZINC000835039081 629831377 /nfs/dbraw/zinc/83/13/77/629831377.db2.gz GDWXKFGZLBORAT-AQWUKCDYSA-N 0 3 310.441 3.263 20 10 DGCDHN COc1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c([O-])c1 ZINC000835053242 629837430 /nfs/dbraw/zinc/83/74/30/629837430.db2.gz UVMZAZQLNMBNQY-PLNGDYQASA-N 0 3 312.413 3.270 20 10 DGCDHN COc1ccc(N2CCCN(Cc3ccoc3C)CC2)cc1 ZINC000840911776 630376752 /nfs/dbraw/zinc/37/67/52/630376752.db2.gz QKZJBRDHBYENIO-UHFFFAOYSA-N 0 3 300.402 3.309 20 10 DGCDHN Cc1cc([O-])c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(Cl)c1 ZINC000840948014 630382944 /nfs/dbraw/zinc/38/29/44/630382944.db2.gz JIXYPYLQJQYIJB-ZIAGYGMSSA-N 0 3 308.853 3.413 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000840956101 630384845 /nfs/dbraw/zinc/38/48/45/630384845.db2.gz AWWBLKDFEPLMET-FUHWJXTLSA-N 0 3 313.397 3.099 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000840956101 630384847 /nfs/dbraw/zinc/38/48/47/630384847.db2.gz AWWBLKDFEPLMET-FUHWJXTLSA-N 0 3 313.397 3.099 20 10 DGCDHN CN(C)c1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000840958229 630384944 /nfs/dbraw/zinc/38/49/44/630384944.db2.gz OAZWMDABKJDGAZ-QFBILLFUSA-N 0 3 314.404 3.200 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000841760358 630462873 /nfs/dbraw/zinc/46/28/73/630462873.db2.gz UPAJBVRBWQROKJ-NURSFMCSSA-N 0 3 314.223 3.027 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(F)F)C2)c2c1c(F)ccc2[O-] ZINC000841765371 630463738 /nfs/dbraw/zinc/46/37/38/630463738.db2.gz RCBXEVXYDDIVRJ-SCVCMEIPSA-N 0 3 314.351 3.009 20 10 DGCDHN CO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000842908465 630592854 /nfs/dbraw/zinc/59/28/54/630592854.db2.gz NDDUKHJIOKNXHU-ATZDWAIDSA-N 0 3 318.461 3.131 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000843417774 630654255 /nfs/dbraw/zinc/65/42/55/630654255.db2.gz KRPQCZCRHLKUJJ-CYBMUJFWSA-N 0 3 305.374 3.174 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CO1 ZINC000843432176 630658304 /nfs/dbraw/zinc/65/83/04/630658304.db2.gz IRVGHLPEKCGYSC-WMLDXEAASA-N 0 3 313.397 3.238 20 10 DGCDHN CCc1noc(-c2ccc(CC[NH2+]Cc3ccccc3[O-])cc2)n1 ZINC000105491506 630718555 /nfs/dbraw/zinc/71/85/55/630718555.db2.gz GPZNRFGRYABYQW-UHFFFAOYSA-N 0 3 323.396 3.337 20 10 DGCDHN CCn1cc(CN(Cc2cc(C)cc(OC)c2O)C(C)C)cn1 ZINC000844737449 630823405 /nfs/dbraw/zinc/82/34/05/630823405.db2.gz DBDOLEZQFKMXMI-UHFFFAOYSA-N 0 3 317.433 3.336 20 10 DGCDHN CC(C)(C)OC(=O)NCCC1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000845930882 631202672 /nfs/dbraw/zinc/20/26/72/631202672.db2.gz XJFYRLFIVYEURG-UHFFFAOYSA-N 0 3 320.433 3.175 20 10 DGCDHN COc1cccc([C@H](C)NCc2cccnc2OC(C)C)c1O ZINC000846140371 631211692 /nfs/dbraw/zinc/21/16/92/631211692.db2.gz PMBQBMHMJGUPBJ-ZDUSSCGKSA-N 0 3 316.401 3.434 20 10 DGCDHN CCCOc1ncccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846143471 631211789 /nfs/dbraw/zinc/21/17/89/631211789.db2.gz IVUNVDTVPDIXFE-CYBMUJFWSA-N 0 3 316.401 3.435 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1[O-] ZINC000848928010 631792018 /nfs/dbraw/zinc/79/20/18/631792018.db2.gz UCLPATMISMCRMO-CVEARBPZSA-N 0 3 308.853 3.461 20 10 DGCDHN Cc1cc(O)c(CNCc2cnc(C(F)(F)F)nc2)cc1C ZINC000850345428 632120007 /nfs/dbraw/zinc/12/00/07/632120007.db2.gz ZZUWUWUIVOTZMR-UHFFFAOYSA-N 0 3 311.307 3.108 20 10 DGCDHN COc1ccc(N2CC[C@@H](NCc3ccc(F)cc3F)C2)cc1 ZINC000850345601 632120330 /nfs/dbraw/zinc/12/03/30/632120330.db2.gz FVSUVICFHBGTCG-OAHLLOKOSA-N 0 3 318.367 3.342 20 10 DGCDHN CN(C)c1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1F ZINC000850386628 632134942 /nfs/dbraw/zinc/13/49/42/632134942.db2.gz KJJDUNBCHIJBGH-KRWDZBQOSA-N 0 3 300.377 3.374 20 10 DGCDHN OC1CCN(c2ccc(CNCc3cccc(F)c3)cc2)CC1 ZINC000850405396 632141464 /nfs/dbraw/zinc/14/14/64/632141464.db2.gz MOPXDUVJJRIUNI-UHFFFAOYSA-N 0 3 314.404 3.077 20 10 DGCDHN CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])[C@H]1CCOC1 ZINC000850484120 632165816 /nfs/dbraw/zinc/16/58/16/632165816.db2.gz CPZZAWJCUAJXPW-SLEUVZQESA-N 0 3 313.825 3.056 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c([O-])c1 ZINC000850540585 632186764 /nfs/dbraw/zinc/18/67/64/632186764.db2.gz NHESMJQFDMFLSP-ZVZYQTTQSA-N 0 3 313.445 3.496 20 10 DGCDHN CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccccc1[O-] ZINC000850561078 632194557 /nfs/dbraw/zinc/19/45/57/632194557.db2.gz HXAMYSRPDWNDTP-QAPCUYQASA-N 0 3 307.434 3.001 20 10 DGCDHN CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(C)cc1[O-] ZINC000850563381 632195440 /nfs/dbraw/zinc/19/54/40/632195440.db2.gz XCJPOEAHLOGZEP-APWZRJJASA-N 0 3 321.461 3.309 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000850583519 632201931 /nfs/dbraw/zinc/20/19/31/632201931.db2.gz OLSNBFBEGRYOCI-BJOHPYRUSA-N 0 3 311.303 3.194 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccn1 ZINC000852019261 632540017 /nfs/dbraw/zinc/54/00/17/632540017.db2.gz XRGFWUMRYALPBS-GOSISDBHSA-N 0 3 300.402 3.123 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccn1 ZINC000852019261 632540023 /nfs/dbraw/zinc/54/00/23/632540023.db2.gz XRGFWUMRYALPBS-GOSISDBHSA-N 0 3 300.402 3.123 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccn1 ZINC000852019263 632540625 /nfs/dbraw/zinc/54/06/25/632540625.db2.gz XRGFWUMRYALPBS-SFHVURJKSA-N 0 3 300.402 3.123 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccn1 ZINC000852019263 632540626 /nfs/dbraw/zinc/54/06/26/632540626.db2.gz XRGFWUMRYALPBS-SFHVURJKSA-N 0 3 300.402 3.123 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000184789169 660186329 /nfs/dbraw/zinc/18/63/29/660186329.db2.gz CETKAZHHNRVLDK-GOSISDBHSA-N 0 3 315.388 3.304 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000184789169 660186330 /nfs/dbraw/zinc/18/63/30/660186330.db2.gz CETKAZHHNRVLDK-GOSISDBHSA-N 0 3 315.388 3.304 20 10 DGCDHN C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000184912813 660194363 /nfs/dbraw/zinc/19/43/63/660194363.db2.gz FWZQUXSFTPKREJ-MJBXVCDLSA-N 0 3 324.440 3.070 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c([O-])c1 ZINC000186230583 660350787 /nfs/dbraw/zinc/35/07/87/660350787.db2.gz QHAKACTYUQWQKB-HUUCEWRRSA-N 0 3 305.418 3.427 20 10 DGCDHN CCOCCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793065361 661002919 /nfs/dbraw/zinc/00/29/19/661002919.db2.gz LDTAYUQLUVSLDC-UHFFFAOYSA-N 0 3 304.356 3.240 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CCC2(C)CC2)c1[O-] ZINC000793199841 661012176 /nfs/dbraw/zinc/01/21/76/661012176.db2.gz ZOEJHAOUUQRBDT-UHFFFAOYSA-N 0 3 314.223 3.443 20 10 DGCDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c([O-])c1 ZINC000793387641 661029130 /nfs/dbraw/zinc/02/91/30/661029130.db2.gz JHZCQFRYTVUEOR-UHFFFAOYSA-N 0 3 315.398 3.142 20 10 DGCDHN COc1ccc(CNCc2ccc(OC)cc2Cl)c(O)c1 ZINC000793388180 661029293 /nfs/dbraw/zinc/02/92/93/661029293.db2.gz OEBMPZCFJXMGAY-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc(F)cc3cccnc32)c([O-])c1 ZINC000793387223 661029305 /nfs/dbraw/zinc/02/93/05/661029305.db2.gz AVTKMVUCSQSUBL-UHFFFAOYSA-N 0 3 312.344 3.378 20 10 DGCDHN COc1cc(CN2Cc3ccccc3O[C@H](C)C2)c(O)cc1C ZINC000793780843 661056916 /nfs/dbraw/zinc/05/69/16/661056916.db2.gz MQJWRBNXNBWLLS-CQSZACIVSA-N 0 3 313.397 3.492 20 10 DGCDHN CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794706331 661100430 /nfs/dbraw/zinc/10/04/30/661100430.db2.gz OVZRDCCQHSSANP-CZUORRHYSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794706331 661100431 /nfs/dbraw/zinc/10/04/31/661100431.db2.gz OVZRDCCQHSSANP-CZUORRHYSA-N 0 3 305.418 3.076 20 10 DGCDHN CC[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(C)cc1[O-] ZINC000794812555 661106762 /nfs/dbraw/zinc/10/67/62/661106762.db2.gz XECGYDGJJHPUAP-KRWDZBQOSA-N 0 3 312.413 3.083 20 10 DGCDHN COc1ccc(CN(C)Cc2cc(C)cc(OC)c2O)cc1F ZINC000120510409 655554898 /nfs/dbraw/zinc/55/48/98/655554898.db2.gz BGKQWZZZDSYHTO-UHFFFAOYSA-N 0 3 319.376 3.489 20 10 DGCDHN CCC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC000177513030 655601130 /nfs/dbraw/zinc/60/11/30/655601130.db2.gz YGIJSVQCPHEGEJ-UHFFFAOYSA-N 0 3 308.422 3.129 20 10 DGCDHN CCC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC000177513030 655601131 /nfs/dbraw/zinc/60/11/31/655601131.db2.gz YGIJSVQCPHEGEJ-UHFFFAOYSA-N 0 3 308.422 3.129 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3C[C@@H](OC)C3)c2c1 ZINC000795671886 661166589 /nfs/dbraw/zinc/16/65/89/661166589.db2.gz OMVYBPODPZNHNN-OTVXOJSOSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3C[C@@H](OC)C3)c2c1 ZINC000795671886 661166592 /nfs/dbraw/zinc/16/65/92/661166592.db2.gz OMVYBPODPZNHNN-OTVXOJSOSA-N 0 3 301.386 3.163 20 10 DGCDHN CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000187685716 655631128 /nfs/dbraw/zinc/63/11/28/655631128.db2.gz LINNNGUVMCMTSS-KGLIPLIRSA-N 0 3 320.433 3.300 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1O ZINC000178408616 655738517 /nfs/dbraw/zinc/73/85/17/655738517.db2.gz GWDIEBDVKRHNCX-ZDUSSCGKSA-N 0 3 300.402 3.318 20 10 DGCDHN C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1cc(F)ccc1[O-] ZINC000176980961 655885578 /nfs/dbraw/zinc/88/55/78/655885578.db2.gz GQEFORNBWIUFFB-SUMWQHHRSA-N 0 3 302.393 3.485 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)CC2 ZINC000716235151 661220348 /nfs/dbraw/zinc/22/03/48/661220348.db2.gz AQBDXASHHYOYIV-QZTJIDSGSA-N 0 3 308.425 3.244 20 10 DGCDHN CCCCC[C@H](C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182406348 656105334 /nfs/dbraw/zinc/10/53/34/656105334.db2.gz VVDWINXUYUOJAT-UONOGXRCSA-N 0 3 322.449 3.136 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313342528 656268430 /nfs/dbraw/zinc/26/84/30/656268430.db2.gz GFQQOZXIGOLTGD-MRXNPFEDSA-N 0 3 302.805 3.192 20 10 DGCDHN CN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCCO1 ZINC000125349163 656273085 /nfs/dbraw/zinc/27/30/85/656273085.db2.gz LUKGXISHJMNEBN-OAHLLOKOSA-N 0 3 307.434 3.396 20 10 DGCDHN CCOC[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC000313461571 656281266 /nfs/dbraw/zinc/28/12/66/656281266.db2.gz OOUDYYFKFZXXTP-CQSZACIVSA-N 0 3 313.825 3.445 20 10 DGCDHN CCOC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000313461571 656281268 /nfs/dbraw/zinc/28/12/68/656281268.db2.gz OOUDYYFKFZXXTP-CQSZACIVSA-N 0 3 313.825 3.445 20 10 DGCDHN CCOC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000313461571 656281270 /nfs/dbraw/zinc/28/12/70/656281270.db2.gz OOUDYYFKFZXXTP-CQSZACIVSA-N 0 3 313.825 3.445 20 10 DGCDHN CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1(C)C ZINC000236864242 656935200 /nfs/dbraw/zinc/93/52/00/656935200.db2.gz SXGIUKFTJVRVGH-SJORKVTESA-N 0 3 307.434 3.474 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000016075998 657753453 /nfs/dbraw/zinc/75/34/53/657753453.db2.gz UDKJLTDJDPJWGG-CHWSQXEVSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc2ccc(O)c(CN3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000016075998 657753461 /nfs/dbraw/zinc/75/34/61/657753461.db2.gz UDKJLTDJDPJWGG-CHWSQXEVSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC(C)(C)C3)c2c1 ZINC000029546675 657771689 /nfs/dbraw/zinc/77/16/89/657771689.db2.gz IHUCFRYZOXPIKY-UHFFFAOYSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC(C)(C)C3)c2c1 ZINC000029546675 657771697 /nfs/dbraw/zinc/77/16/97/657771697.db2.gz IHUCFRYZOXPIKY-UHFFFAOYSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCOC(C)(C)C3)c2c1 ZINC000029546675 657771703 /nfs/dbraw/zinc/77/17/03/657771703.db2.gz IHUCFRYZOXPIKY-UHFFFAOYSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCSC[C@@H]3C)c2c1 ZINC000172515507 659341901 /nfs/dbraw/zinc/34/19/01/659341901.db2.gz AUHMIQRJYZFNOY-LBPRGKRZSA-N 0 3 303.427 3.491 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCSC[C@@H]3C)c2c1 ZINC000172515507 659341906 /nfs/dbraw/zinc/34/19/06/659341906.db2.gz AUHMIQRJYZFNOY-LBPRGKRZSA-N 0 3 303.427 3.491 20 10 DGCDHN COc1ccc(F)cc1[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000063256019 659374327 /nfs/dbraw/zinc/37/43/27/659374327.db2.gz IBGIAOMUSGMDFG-JTQLQIEISA-N 0 3 319.332 3.119 20 10 DGCDHN C[C@@H](c1ccncc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000173479540 659388037 /nfs/dbraw/zinc/38/80/37/659388037.db2.gz LRBGLUOBMIZUPY-INIZCTEOSA-N 0 3 311.429 3.111 20 10 DGCDHN CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179565553 659933802 /nfs/dbraw/zinc/93/38/02/659933802.db2.gz FDHDCEMRGTZWAO-QGZVFWFLSA-N 0 3 318.461 3.301 20 10 DGCDHN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179565553 659933803 /nfs/dbraw/zinc/93/38/03/659933803.db2.gz FDHDCEMRGTZWAO-QGZVFWFLSA-N 0 3 318.461 3.301 20 10 DGCDHN CCOCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183166260 660103546 /nfs/dbraw/zinc/10/35/46/660103546.db2.gz MWPRZIYWSXYFTI-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN CCOCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183166260 660103547 /nfs/dbraw/zinc/10/35/47/660103547.db2.gz MWPRZIYWSXYFTI-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN COc1ccccc1N1CCN(Cc2cccc(C)c2O)CC1 ZINC000183452359 660114916 /nfs/dbraw/zinc/11/49/16/660114916.db2.gz SNMVTZMGMXZRTI-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183465694 660116653 /nfs/dbraw/zinc/11/66/53/660116653.db2.gz WCWREQJZJTWSJU-AWEZNQCLSA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@@H](N[C@@H](C)c1cncs1)c1ccc(N2CCOCC2)cc1 ZINC000155303764 661845002 /nfs/dbraw/zinc/84/50/02/661845002.db2.gz KMENGOQLUMQJMJ-KGLIPLIRSA-N 0 3 317.458 3.392 20 10 DGCDHN CCCCCNC(=O)[C@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000076073956 661966629 /nfs/dbraw/zinc/96/66/29/661966629.db2.gz YJKFXCGWICIEIR-HNNXBMFYSA-N 0 3 306.450 3.299 20 10 DGCDHN CCCCCNC(=O)[C@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000076073956 661966631 /nfs/dbraw/zinc/96/66/31/661966631.db2.gz YJKFXCGWICIEIR-HNNXBMFYSA-N 0 3 306.450 3.299 20 10 DGCDHN COc1ccc(N2CCCN(Cc3ccsc3)CC2)cc1 ZINC000092380851 662330044 /nfs/dbraw/zinc/33/00/44/662330044.db2.gz OWIZVIGMOOFCAC-UHFFFAOYSA-N 0 3 302.443 3.469 20 10 DGCDHN Cc1cc(CNCc2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000391160325 685210230 /nfs/dbraw/zinc/21/02/30/685210230.db2.gz SYXMSPNFFCZCSQ-UHFFFAOYSA-N 0 3 308.429 3.426 20 10 DGCDHN Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cnn1C ZINC001254720967 1178080876 /nfs/dbraw/zinc/08/08/76/1178080876.db2.gz DVZUUCSGHONERI-BFVZDQMLSA-N 0 3 303.381 3.472 20 10 DGCDHN CN(C)c1cccc(NCc2cc(F)c(N(C)C)cc2F)n1 ZINC001335483676 1178919078 /nfs/dbraw/zinc/91/90/78/1178919078.db2.gz LIPBTOXNAXQXQJ-UHFFFAOYSA-N 0 3 306.360 3.104 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c([O-])c1 ZINC001474595862 1181593527 /nfs/dbraw/zinc/59/35/27/1181593527.db2.gz PVYRZNNXNRURBT-AWEZNQCLSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c([O-])c1 ZINC001474595862 1181593533 /nfs/dbraw/zinc/59/35/33/1181593533.db2.gz PVYRZNNXNRURBT-AWEZNQCLSA-N 0 3 305.418 3.100 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1[O-] ZINC001461732765 1182847619 /nfs/dbraw/zinc/84/76/19/1182847619.db2.gz XMIYVNDOXHMNHF-NSHDSACASA-N 0 3 314.410 3.156 20 10 DGCDHN CO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)CC(C)C ZINC001474185694 1183878674 /nfs/dbraw/zinc/87/86/74/1183878674.db2.gz XPGPZWAIZMCUGO-CYBMUJFWSA-N 0 3 300.393 3.182 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC001474435233 1183922481 /nfs/dbraw/zinc/92/24/81/1183922481.db2.gz BPTWHYDWBVUBFO-STQMWFEESA-N 0 3 324.415 3.413 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c([O-])c1 ZINC001474631085 1183952082 /nfs/dbraw/zinc/95/20/82/1183952082.db2.gz WTJPEHKDOUNBID-HNAYVOBHSA-N 0 3 319.445 3.490 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c([O-])c1 ZINC001474631085 1183952088 /nfs/dbraw/zinc/95/20/88/1183952088.db2.gz WTJPEHKDOUNBID-HNAYVOBHSA-N 0 3 319.445 3.490 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H](O)C2CCCCC2)cc1F ZINC001560307860 1189309356 /nfs/dbraw/zinc/30/93/56/1189309356.db2.gz OKKYMFVYXZEERN-QGZVFWFLSA-N 0 3 312.404 3.062 20 10 DGCDHN COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC001560671952 1189358444 /nfs/dbraw/zinc/35/84/44/1189358444.db2.gz SSVQONBXRZCFQK-INIZCTEOSA-N 0 3 301.361 3.357 20 10 DGCDHN COc1ccc(C[C@@H]2CC[N@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC001560671952 1189358447 /nfs/dbraw/zinc/35/84/47/1189358447.db2.gz SSVQONBXRZCFQK-INIZCTEOSA-N 0 3 301.361 3.357 20 10 DGCDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001560890700 1189400755 /nfs/dbraw/zinc/40/07/55/1189400755.db2.gz ONENTSLGQRSSKN-GXTWGEPZSA-N 0 3 323.408 3.331 20 10 DGCDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001560890700 1189400760 /nfs/dbraw/zinc/40/07/60/1189400760.db2.gz ONENTSLGQRSSKN-GXTWGEPZSA-N 0 3 323.408 3.331 20 10 DGCDHN COc1ccc(CN2CCO[C@@H](C(C)(C)C)CC2)c(O)c1OC ZINC001561051807 1189427974 /nfs/dbraw/zinc/42/79/74/1189427974.db2.gz JQPUKUNHHRDKOT-OAHLLOKOSA-N 0 3 323.433 3.046 20 10 DGCDHN COc1ccsc1CNCc1ccc2c(c1)CCCN2C ZINC001620752081 1191430670 /nfs/dbraw/zinc/43/06/70/1191430670.db2.gz UJXJRISMNBDQFD-UHFFFAOYSA-N 0 3 302.443 3.429 20 10 DGCDHN CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2cc([O-])cs2)CC1 ZINC001635707096 1194567134 /nfs/dbraw/zinc/56/71/34/1194567134.db2.gz SQGWPTORLLMGDN-AWEZNQCLSA-N 0 3 322.474 3.180 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccnn2-c2ccccc2)c1 ZINC001651273811 1195435711 /nfs/dbraw/zinc/43/57/11/1195435711.db2.gz VDOKLEXXMXBRAA-CQSZACIVSA-N 0 3 323.396 3.437 20 10 DGCDHN C[C@@H](NCc1ccc(Br)cn1)c1ccccc1O ZINC001651502262 1195471597 /nfs/dbraw/zinc/47/15/97/1195471597.db2.gz YCXFHNNIMHQECX-SNVBAGLBSA-N 0 3 307.191 3.401 20 10 DGCDHN COc1cc(C)c(CN2CC=C(C(F)(F)F)CC2)c(O)c1 ZINC001651756569 1195506088 /nfs/dbraw/zinc/50/60/88/1195506088.db2.gz BMGGFCYWZOBDAY-UHFFFAOYSA-N 0 3 301.308 3.404 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@H](C)Cc2cccc(O)c2)c([O-])c1 ZINC001652465938 1195601157 /nfs/dbraw/zinc/60/11/57/1195601157.db2.gz OXOJWTIFYRJANB-CYBMUJFWSA-N 0 3 301.386 3.136 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001652632284 1195629758 /nfs/dbraw/zinc/62/97/58/1195629758.db2.gz WVKGWYVFRJXXBN-CYBMUJFWSA-N 0 3 323.433 3.119 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001652632284 1195629765 /nfs/dbraw/zinc/62/97/65/1195629765.db2.gz WVKGWYVFRJXXBN-CYBMUJFWSA-N 0 3 323.433 3.119 20 10 DGCDHN C[NH+](C)Cc1ccc(NCc2cc(F)c(F)cc2[O-])c(F)c1 ZINC001652657658 1195633211 /nfs/dbraw/zinc/63/32/11/1195633211.db2.gz UCCMOPKDQFUBNR-UHFFFAOYSA-N 0 3 310.319 3.483 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ncccc1F ZINC001652685327 1195636301 /nfs/dbraw/zinc/63/63/01/1195636301.db2.gz ZRUOMRNUIRBORX-AWEZNQCLSA-N 0 3 301.409 3.316 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c([O-])c1 ZINC001653099967 1195687536 /nfs/dbraw/zinc/68/75/36/1195687536.db2.gz DWXJXSXJQMMYPD-LQDVMPOASA-N 0 3 307.459 3.473 20 10 DGCDHN COc1ccc(CNCc2ccccc2)cc1Cn1cccn1 ZINC001656634080 1196056400 /nfs/dbraw/zinc/05/64/00/1196056400.db2.gz MIBNIOBEPQPHCY-UHFFFAOYSA-N 0 3 307.397 3.230 20 10 DGCDHN COC(=O)c1c(CNCC=C(C)C)c2cc(F)ccc2n1C ZINC001657774136 1196177364 /nfs/dbraw/zinc/17/73/64/1196177364.db2.gz WHYCUKADQSTNQJ-UHFFFAOYSA-N 0 3 304.365 3.160 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1F ZINC001657926701 1196193846 /nfs/dbraw/zinc/19/38/46/1196193846.db2.gz YQIAVVQMKYGWPX-ZUCKAHLUSA-N 0 3 310.388 3.078 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c([O-])c1 ZINC001658294272 1196238076 /nfs/dbraw/zinc/23/80/76/1196238076.db2.gz QKDCRKTVZFUUMH-WMZOPIPTSA-N 0 3 307.434 3.345 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c([O-])c1 ZINC001658294272 1196238071 /nfs/dbraw/zinc/23/80/71/1196238071.db2.gz QKDCRKTVZFUUMH-WMZOPIPTSA-N 0 3 307.434 3.345 20 10 DGCDHN CC/C=C/CCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC001659857342 1196422346 /nfs/dbraw/zinc/42/23/46/1196422346.db2.gz NTXWATNZIBYUFU-AATRIKPKSA-N 0 3 304.434 3.182 20 10 DGCDHN CC(C)OC1(CNCc2cc(F)c(N(C)C)cc2F)CCC1 ZINC001663203520 1196810442 /nfs/dbraw/zinc/81/04/42/1196810442.db2.gz GJJZXJDXCQSMHA-UHFFFAOYSA-N 0 3 312.404 3.468 20 10 DGCDHN CC[N@H+](CCc1ccccn1)Cc1c(C)cc(OC)cc1[O-] ZINC001663869717 1196952784 /nfs/dbraw/zinc/95/27/84/1196952784.db2.gz CQRXHRRTYNJNKJ-UHFFFAOYSA-N 0 3 300.402 3.169 20 10 DGCDHN CC[N@@H+](CCc1ccccn1)Cc1c(C)cc(OC)cc1[O-] ZINC001663869717 1196952787 /nfs/dbraw/zinc/95/27/87/1196952787.db2.gz CQRXHRRTYNJNKJ-UHFFFAOYSA-N 0 3 300.402 3.169 20 10 DGCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)cc1[O-] ZINC000156850214 1202601464 /nfs/dbraw/zinc/60/14/64/1202601464.db2.gz WOGZNEOLEAUUCL-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)cc1[O-] ZINC000156850214 1202601465 /nfs/dbraw/zinc/60/14/65/1202601465.db2.gz WOGZNEOLEAUUCL-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cnccc1C(F)(F)F ZINC001182990358 1083852354 /nfs/dbraw/zinc/85/23/54/1083852354.db2.gz PHRPAAGTIPPMNF-UHFFFAOYSA-N 0 3 300.255 3.235 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC001183155588 1083881044 /nfs/dbraw/zinc/88/10/44/1083881044.db2.gz HXCJPPBDPUZCIM-OAHLLOKOSA-N 0 3 313.397 3.404 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c([O-])c1 ZINC001183155588 1083881056 /nfs/dbraw/zinc/88/10/56/1083881056.db2.gz HXCJPPBDPUZCIM-OAHLLOKOSA-N 0 3 313.397 3.404 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)c1[O-] ZINC001184188898 1084114823 /nfs/dbraw/zinc/11/48/23/1084114823.db2.gz PUWKXKKAXQAIEL-XHDPSFHLSA-N 0 3 313.850 3.239 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H]3CSC[C@@]3(C)C2)c1[O-] ZINC001184188898 1084114828 /nfs/dbraw/zinc/11/48/28/1084114828.db2.gz PUWKXKKAXQAIEL-XHDPSFHLSA-N 0 3 313.850 3.239 20 10 DGCDHN COc1ccc(C[N@H+](C)CCc2ccccc2OC)c([O-])c1 ZINC000093105352 1086333612 /nfs/dbraw/zinc/33/36/12/1086333612.db2.gz YNWYGYONRHKQOU-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COc1ccc(C[N@@H+](C)CCc2ccccc2OC)c([O-])c1 ZINC000093105352 1086333627 /nfs/dbraw/zinc/33/36/27/1086333627.db2.gz YNWYGYONRHKQOU-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN CCN1CCN(Cc2ccc(Nc3ccc(N)cc3)cc2)CC1 ZINC001159509419 1088372924 /nfs/dbraw/zinc/37/29/24/1088372924.db2.gz DYHBNOBKGZBNEE-UHFFFAOYSA-N 0 3 310.445 3.150 20 10 DGCDHN CCN(Cc1ccccc1O)c1ccc(CN(C)C2CC2)cn1 ZINC001154890757 1088812421 /nfs/dbraw/zinc/81/24/21/1088812421.db2.gz MKLBNHXWDCUDLT-UHFFFAOYSA-N 0 3 311.429 3.408 20 10 DGCDHN COc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccccc3[O-])CCO2)cc1 ZINC001168583803 1090584390 /nfs/dbraw/zinc/58/43/90/1090584390.db2.gz KJIWOWLKIBBPOF-APWZRJJASA-N 0 3 313.397 3.411 20 10 DGCDHN Oc1ccccc1CN1CCN(c2nccc3ccccc32)CC1 ZINC001203556078 1090754783 /nfs/dbraw/zinc/75/47/83/1090754783.db2.gz JYRWSRRTNPTIIL-UHFFFAOYSA-N 0 3 319.408 3.263 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCN(c2nccc3ccccc32)CC1 ZINC001203556078 1090754786 /nfs/dbraw/zinc/75/47/86/1090754786.db2.gz JYRWSRRTNPTIIL-UHFFFAOYSA-N 0 3 319.408 3.263 20 10 DGCDHN COc1cccc(CN2CCOC[C@H]2C2CCCCC2)c1O ZINC001203601733 1090765565 /nfs/dbraw/zinc/76/55/65/1090765565.db2.gz IVIJHEGEUFAWJT-INIZCTEOSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+](CCC(=O)OC)C2CCCC2)c1[O-] ZINC001203609485 1090766502 /nfs/dbraw/zinc/76/65/02/1090766502.db2.gz VJGRPDSQHONIJI-UHFFFAOYSA-N 0 3 321.417 3.099 20 10 DGCDHN CCOc1cccc(C[N@@H+](CCC(=O)OC)C2CCCC2)c1[O-] ZINC001203609485 1090766509 /nfs/dbraw/zinc/76/65/09/1090766509.db2.gz VJGRPDSQHONIJI-UHFFFAOYSA-N 0 3 321.417 3.099 20 10 DGCDHN CCCCCN1CCN(Cc2cccc(OCC)c2O)CC1 ZINC001203609131 1090766695 /nfs/dbraw/zinc/76/66/95/1090766695.db2.gz IAMWHCFWHHJZAN-UHFFFAOYSA-N 0 3 306.450 3.099 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c([O-])c1 ZINC001203630366 1090769160 /nfs/dbraw/zinc/76/91/60/1090769160.db2.gz QXFIGOIVJDJTQV-SFHVURJKSA-N 0 3 313.397 3.192 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c([O-])c1 ZINC001203630366 1090769165 /nfs/dbraw/zinc/76/91/65/1090769165.db2.gz QXFIGOIVJDJTQV-SFHVURJKSA-N 0 3 313.397 3.192 20 10 DGCDHN CC(C)(C)c1cccc(CN2CC[C@](O)(C(F)(F)F)C2)c1O ZINC001143103812 1090934484 /nfs/dbraw/zinc/93/44/84/1090934484.db2.gz KRESNQRHKNATIN-OAHLLOKOSA-N 0 3 317.351 3.189 20 10 DGCDHN COc1ccccc1C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278545 1090939239 /nfs/dbraw/zinc/93/92/39/1090939239.db2.gz FMRCUKZYKLTJCV-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN OCCN(Cc1cccs1)Cc1ccc(N2CCCC2)cc1 ZINC001204326348 1090949130 /nfs/dbraw/zinc/94/91/30/1090949130.db2.gz GFSDGEFPWNRWJV-UHFFFAOYSA-N 0 3 316.470 3.343 20 10 DGCDHN CCCCN(C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001205052874 1091091901 /nfs/dbraw/zinc/09/19/01/1091091901.db2.gz NZYCEVMJMKDWAL-UHFFFAOYSA-N 0 3 306.381 3.336 20 10 DGCDHN Oc1c(CN2CCC[C@@H]2CF)cc2c3c1CCCN3CCC2 ZINC001138341434 1091146836 /nfs/dbraw/zinc/14/68/36/1091146836.db2.gz PBTULPBDQOWKIQ-OAHLLOKOSA-N 0 3 304.409 3.025 20 10 DGCDHN CCN(CC)c1ccc(CN2CCCC3(COC3)C2)c(OC)c1 ZINC001138386225 1091161465 /nfs/dbraw/zinc/16/14/65/1091161465.db2.gz KGZKROMQUFWPES-UHFFFAOYSA-N 0 3 318.461 3.154 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@H]3OCC[C@H]3C2)c(OC)c1 ZINC001138390438 1091166000 /nfs/dbraw/zinc/16/60/00/1091166000.db2.gz WZQQUAWHVCQKMF-WMZOPIPTSA-N 0 3 318.461 3.152 20 10 DGCDHN C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC001205317338 1091181916 /nfs/dbraw/zinc/18/19/16/1091181916.db2.gz OCKDREFKXYTYBG-NXEZZACHSA-N 0 3 303.233 3.116 20 10 DGCDHN Cc1nnc(C2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)o1 ZINC001139674076 1091640103 /nfs/dbraw/zinc/64/01/03/1091640103.db2.gz PHPLVDFRZZUNIL-UHFFFAOYSA-N 0 3 314.433 3.132 20 10 DGCDHN Cc1cccc(O[C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056099 1091752823 /nfs/dbraw/zinc/75/28/23/1091752823.db2.gz HXMVSLNAMCKDAG-INIZCTEOSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056099 1091752830 /nfs/dbraw/zinc/75/28/30/1091752830.db2.gz HXMVSLNAMCKDAG-INIZCTEOSA-N 0 3 316.376 3.278 20 10 DGCDHN CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060049 1091754174 /nfs/dbraw/zinc/75/41/74/1091754174.db2.gz IPHBHABCMHZVOD-GFCCVEGCSA-N 0 3 309.381 3.085 20 10 DGCDHN CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060049 1091754183 /nfs/dbraw/zinc/75/41/83/1091754183.db2.gz IPHBHABCMHZVOD-GFCCVEGCSA-N 0 3 309.381 3.085 20 10 DGCDHN Cc1ccc(C)c(CN2CCc3cc4c(cc3C2)OCO4)c1O ZINC001140178722 1091792084 /nfs/dbraw/zinc/79/20/84/1091792084.db2.gz VMNODXWODBXISQ-UHFFFAOYSA-N 0 3 311.381 3.296 20 10 DGCDHN Oc1cc2c(cc1O)CN(CCc1ccccc1F)CCC2 ZINC001207505029 1091997089 /nfs/dbraw/zinc/99/70/89/1091997089.db2.gz TWECKPLZHHNGDX-UHFFFAOYSA-N 0 3 301.361 3.228 20 10 DGCDHN Cc1ccc(CN2CCN(c3nccc4occc43)CC2)c(O)c1 ZINC001140950981 1092077316 /nfs/dbraw/zinc/07/73/16/1092077316.db2.gz RPKBXZTVFPPGRT-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC001140954484 1092079932 /nfs/dbraw/zinc/07/99/32/1092079932.db2.gz UHMUUDKICWSOOL-KRWDZBQOSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c([O-])c1 ZINC001140954484 1092079942 /nfs/dbraw/zinc/07/99/42/1092079942.db2.gz UHMUUDKICWSOOL-KRWDZBQOSA-N 0 3 301.361 3.493 20 10 DGCDHN CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC001140957755 1092082901 /nfs/dbraw/zinc/08/29/01/1092082901.db2.gz MPEGXMSGFKESCS-CQSZACIVSA-N 0 3 301.390 3.026 20 10 DGCDHN CCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC001140957755 1092082910 /nfs/dbraw/zinc/08/29/10/1092082910.db2.gz MPEGXMSGFKESCS-CQSZACIVSA-N 0 3 301.390 3.026 20 10 DGCDHN COc1cc(O)c(CN2CCC(C(F)(F)F)CC2)c(OC)c1 ZINC001141026123 1092111268 /nfs/dbraw/zinc/11/12/68/1092111268.db2.gz DNGJJORWSBZDMW-UHFFFAOYSA-N 0 3 319.323 3.184 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCc2cccc(F)c2)c(OC)c1 ZINC001141030637 1092112284 /nfs/dbraw/zinc/11/22/84/1092112284.db2.gz DYEDLODXUUQVNV-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2cccc(F)c2)c(OC)c1 ZINC001141030637 1092112290 /nfs/dbraw/zinc/11/22/90/1092112290.db2.gz DYEDLODXUUQVNV-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1cc(O)c(CN2Cc3ccccc3C[C@H]2C)c(OC)c1 ZINC001141030660 1092112507 /nfs/dbraw/zinc/11/25/07/1092112507.db2.gz FPQBNSOIMJPOCK-CYBMUJFWSA-N 0 3 313.397 3.356 20 10 DGCDHN COc1cc(O)c(CN2CCc3c(C)cccc3C2)c(OC)c1 ZINC001141031977 1092112593 /nfs/dbraw/zinc/11/25/93/1092112593.db2.gz PBCIKCLXCSTTSV-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCc2ccccc2)c(OC)c1 ZINC001141032382 1092112903 /nfs/dbraw/zinc/11/29/03/1092112903.db2.gz ZZLYPUKLKMIFDP-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccccc2)c(OC)c1 ZINC001141032382 1092112907 /nfs/dbraw/zinc/11/29/07/1092112907.db2.gz ZZLYPUKLKMIFDP-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COc1cc(O)c(CN2CCO[C@@H](C(C)(C)C)CC2)cc1OC ZINC001207836174 1092113223 /nfs/dbraw/zinc/11/32/23/1092113223.db2.gz HENMPNFSLHAKIO-QGZVFWFLSA-N 0 3 323.433 3.046 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(-c3ncccn3)cc1)CC2 ZINC001141190605 1092167908 /nfs/dbraw/zinc/16/79/08/1092167908.db2.gz MUDVBFRXMPCXQG-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(-c3ncccn3)cc1)CC2 ZINC001141190605 1092167909 /nfs/dbraw/zinc/16/79/09/1092167909.db2.gz MUDVBFRXMPCXQG-UHFFFAOYSA-N 0 3 317.392 3.408 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001168826166 1092384839 /nfs/dbraw/zinc/38/48/39/1092384839.db2.gz XABWROMBTCSVEX-MGPQQGTHSA-N 0 3 320.433 3.441 20 10 DGCDHN Oc1cccc2c1CN(CCc1cc(F)c(F)cc1F)CC2 ZINC001209252147 1092712354 /nfs/dbraw/zinc/71/23/54/1092712354.db2.gz ICUCHMDOBUWTLN-UHFFFAOYSA-N 0 3 307.315 3.410 20 10 DGCDHN CC(C)(C)OC(=O)NCCCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209367373 1092743875 /nfs/dbraw/zinc/74/38/75/1092743875.db2.gz MLAQLQUEGOIYFJ-UHFFFAOYSA-N 0 3 320.433 3.055 20 10 DGCDHN CC(C)(C)OC(=O)NCCCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001209367373 1092743879 /nfs/dbraw/zinc/74/38/79/1092743879.db2.gz MLAQLQUEGOIYFJ-UHFFFAOYSA-N 0 3 320.433 3.055 20 10 DGCDHN CN(C)c1ccc([C@H](CNC(=O)OC2CCCC2)N(C)C)cc1 ZINC001213978984 1093691283 /nfs/dbraw/zinc/69/12/83/1093691283.db2.gz WBTCBTGLHVFQPP-KRWDZBQOSA-N 0 3 319.449 3.024 20 10 DGCDHN COc1ccc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c([O-])c1 ZINC000305757459 1094005171 /nfs/dbraw/zinc/00/51/71/1094005171.db2.gz AVMHXECEVMYLML-UHFFFAOYSA-N 0 3 315.413 3.174 20 10 DGCDHN COc1ccc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c([O-])c1 ZINC000305757459 1094005176 /nfs/dbraw/zinc/00/51/76/1094005176.db2.gz AVMHXECEVMYLML-UHFFFAOYSA-N 0 3 315.413 3.174 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC[C@H](OC(C)C)C2)c1O ZINC000404584945 1094261547 /nfs/dbraw/zinc/26/15/47/1094261547.db2.gz SWKITOXGDODPJC-AWEZNQCLSA-N 0 3 313.825 3.444 20 10 DGCDHN Nc1ccc(CN2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC001120269656 1094398371 /nfs/dbraw/zinc/39/83/71/1094398371.db2.gz XOYSJFAXVLOOFV-UHFFFAOYSA-N 0 3 312.417 3.299 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222252616 1095513683 /nfs/dbraw/zinc/51/36/83/1095513683.db2.gz HRBLHERMBJEKDZ-OAHLLOKOSA-N 0 3 314.351 3.129 20 10 DGCDHN [O-]c1ccc(F)c(Cl)c1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222320493 1095549188 /nfs/dbraw/zinc/54/91/88/1095549188.db2.gz IKADMKXEGMGFEC-INIZCTEOSA-N 0 3 312.816 3.293 20 10 DGCDHN CC[C@H]([NH2+]CCc1nc(C(C)C)no1)c1ccc(C)cc1[O-] ZINC001116890072 1095692084 /nfs/dbraw/zinc/69/20/84/1095692084.db2.gz MXHPNCWAYABFCZ-AWEZNQCLSA-N 0 3 303.406 3.490 20 10 DGCDHN CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137839197 1095761159 /nfs/dbraw/zinc/76/11/59/1095761159.db2.gz VUIYXTXPZOCACA-LSDHHAIUSA-N 0 3 306.425 3.370 20 10 DGCDHN CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1F ZINC001137839197 1095761171 /nfs/dbraw/zinc/76/11/71/1095761171.db2.gz VUIYXTXPZOCACA-LSDHHAIUSA-N 0 3 306.425 3.370 20 10 DGCDHN Cc1cc(CN(C)CCc2noc(C)n2)c(C)n1-c1ccccc1 ZINC001137856247 1095767131 /nfs/dbraw/zinc/76/71/31/1095767131.db2.gz VYUYRHFYWUJAMK-UHFFFAOYSA-N 0 3 324.428 3.460 20 10 DGCDHN CC(=O)Oc1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001138045801 1095852833 /nfs/dbraw/zinc/85/28/33/1095852833.db2.gz ZIGQZJMZNACUCO-UHFFFAOYSA-N 0 3 312.413 3.310 20 10 DGCDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccccc1[O-])CC2 ZINC001172899566 1097267804 /nfs/dbraw/zinc/26/78/04/1097267804.db2.gz OEYCAPRONPVWKS-INIZCTEOSA-N 0 3 312.369 3.338 20 10 DGCDHN COc1ccc(Br)c(C[N@H+](C)CC2CCC2)c1[O-] ZINC001231554495 1097778949 /nfs/dbraw/zinc/77/89/49/1097778949.db2.gz VJWSDCQLLAWWDX-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+](C)CC2CCC2)c1[O-] ZINC001231554495 1097778951 /nfs/dbraw/zinc/77/89/51/1097778951.db2.gz VJWSDCQLLAWWDX-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231589592 1097785363 /nfs/dbraw/zinc/78/53/63/1097785363.db2.gz MCLZBNBTKRTEMQ-GLJUWKHASA-N 0 3 311.381 3.071 20 10 DGCDHN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231589592 1097785366 /nfs/dbraw/zinc/78/53/66/1097785366.db2.gz MCLZBNBTKRTEMQ-GLJUWKHASA-N 0 3 311.381 3.071 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001231591199 1097787585 /nfs/dbraw/zinc/78/75/85/1097787585.db2.gz YEHOXILHOQKOBW-OKILXGFUSA-N 0 3 319.351 3.259 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001231591199 1097787589 /nfs/dbraw/zinc/78/75/89/1097787589.db2.gz YEHOXILHOQKOBW-OKILXGFUSA-N 0 3 319.351 3.259 20 10 DGCDHN Cc1cccc(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1O ZINC001231591295 1097787609 /nfs/dbraw/zinc/78/76/09/1097787609.db2.gz ZQTMFJZHZQGOHZ-CQSZACIVSA-N 0 3 307.390 3.227 20 10 DGCDHN COc1cc(CN2Cc3ccccc3C(C)(C)C2)c(O)cc1O ZINC001231638887 1097797995 /nfs/dbraw/zinc/79/79/95/1097797995.db2.gz IFWPULCQKKAHEK-UHFFFAOYSA-N 0 3 313.397 3.400 20 10 DGCDHN [O-]c1cc(O)c(C[N@H+](C2CCC2)C2CCOCC2)cc1Cl ZINC001232266776 1097986799 /nfs/dbraw/zinc/98/67/99/1097986799.db2.gz YJKZAGITUHUYSX-UHFFFAOYSA-N 0 3 311.809 3.285 20 10 DGCDHN [O-]c1cc(O)c(C[N@@H+](C2CCC2)C2CCOCC2)cc1Cl ZINC001232266776 1097986806 /nfs/dbraw/zinc/98/68/06/1097986806.db2.gz YJKZAGITUHUYSX-UHFFFAOYSA-N 0 3 311.809 3.285 20 10 DGCDHN COC(=O)c1c(CN(C)C2CC(C)C2)c2ccccc2n1C ZINC001232402471 1098029461 /nfs/dbraw/zinc/02/94/61/1098029461.db2.gz OBKJMPYQXBYVNS-UHFFFAOYSA-N 0 3 300.402 3.195 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c1[O-] ZINC001233288017 1098278092 /nfs/dbraw/zinc/27/80/92/1098278092.db2.gz RPAGEUXYSZKYRQ-MRXNPFEDSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)c1[O-] ZINC001233288017 1098278098 /nfs/dbraw/zinc/27/80/98/1098278098.db2.gz RPAGEUXYSZKYRQ-MRXNPFEDSA-N 0 3 313.825 3.037 20 10 DGCDHN C[C@@]1(O)CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726704 1098416879 /nfs/dbraw/zinc/41/68/79/1098416879.db2.gz GMIGFXTXSJNDDW-CQSZACIVSA-N 0 3 319.323 3.028 20 10 DGCDHN C[C@@]1(O)CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726704 1098416883 /nfs/dbraw/zinc/41/68/83/1098416883.db2.gz GMIGFXTXSJNDDW-CQSZACIVSA-N 0 3 319.323 3.028 20 10 DGCDHN CCC1(O)CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233760638 1098424122 /nfs/dbraw/zinc/42/41/22/1098424122.db2.gz JLLWTZHOIKNKCN-UHFFFAOYSA-N 0 3 319.323 3.028 20 10 DGCDHN Oc1c(CN2CC(c3cccnc3)C2)cccc1OC(F)(F)F ZINC001233761612 1098424899 /nfs/dbraw/zinc/42/48/99/1098424899.db2.gz WPTIATCQJIIOIT-UHFFFAOYSA-N 0 3 324.302 3.285 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2cccc3c2OCO3)cc1 ZINC001177446418 1098539290 /nfs/dbraw/zinc/53/92/90/1098539290.db2.gz MZMAPPBAMPYSBF-PLNGDYQASA-N 0 3 310.397 3.284 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4OC[C@@H](C)[C@H]4C3)c2c1 ZINC001234562890 1098602401 /nfs/dbraw/zinc/60/24/01/1098602401.db2.gz WVCCJRQPZDLATF-SMNXXWJPSA-N 0 3 313.397 3.021 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4OC[C@@H](C)[C@H]4C3)c2c1 ZINC001234562890 1098602405 /nfs/dbraw/zinc/60/24/05/1098602405.db2.gz WVCCJRQPZDLATF-SMNXXWJPSA-N 0 3 313.397 3.021 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H](C)c3ccncc3)cc2)CC1 ZINC001234657571 1098635147 /nfs/dbraw/zinc/63/51/47/1098635147.db2.gz FECBOXMGEPPFIW-INIZCTEOSA-N 0 3 311.429 3.364 20 10 DGCDHN CNC(=O)C1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234989265 1098736730 /nfs/dbraw/zinc/73/67/30/1098736730.db2.gz CBOFODNRDTUBKG-UHFFFAOYSA-N 0 3 324.424 3.017 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001235190430 1098867694 /nfs/dbraw/zinc/86/76/94/1098867694.db2.gz HZHQPTYRBJYVQG-OCCSQVGLSA-N 0 3 322.880 3.384 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cc(-c3ccccn3)n[nH]2)c1 ZINC001179049146 1098999761 /nfs/dbraw/zinc/99/97/61/1098999761.db2.gz DVDRTBCIGFZLQB-LBPRGKRZSA-N 0 3 324.384 3.037 20 10 DGCDHN COC(=O)C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679360 1099122555 /nfs/dbraw/zinc/12/25/55/1099122555.db2.gz DZDATGSCGFPJMR-CYBMUJFWSA-N 0 3 305.418 3.075 20 10 DGCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679360 1099122558 /nfs/dbraw/zinc/12/25/58/1099122558.db2.gz DZDATGSCGFPJMR-CYBMUJFWSA-N 0 3 305.418 3.075 20 10 DGCDHN CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(O)cc1[O-] ZINC001204277731 1099491017 /nfs/dbraw/zinc/49/10/17/1099491017.db2.gz JLJXCIQYNKRSKK-UHFFFAOYSA-N 0 3 301.386 3.171 20 10 DGCDHN CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(O)cc1[O-] ZINC001204277731 1099491021 /nfs/dbraw/zinc/49/10/21/1099491021.db2.gz JLJXCIQYNKRSKK-UHFFFAOYSA-N 0 3 301.386 3.171 20 10 DGCDHN CCc1ccc(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236783118 1099780397 /nfs/dbraw/zinc/78/03/97/1099780397.db2.gz IFXNKKZNGWUUFI-HNNXBMFYSA-N 0 3 321.417 3.481 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCCN(c3cccnc3)CC2)c([O-])c1 ZINC001236788825 1099785706 /nfs/dbraw/zinc/78/57/06/1099785706.db2.gz QZFADSLXATYKEI-UHFFFAOYSA-N 0 3 311.429 3.062 20 10 DGCDHN CCc1ccc(C[N@H+]2CCCN(c3cccnc3)CC2)c([O-])c1 ZINC001236788825 1099785712 /nfs/dbraw/zinc/78/57/12/1099785712.db2.gz QZFADSLXATYKEI-UHFFFAOYSA-N 0 3 311.429 3.062 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c([O-])c1 ZINC001236788878 1099786048 /nfs/dbraw/zinc/78/60/48/1099786048.db2.gz SBIBIJUCQJDQIJ-KRWDZBQOSA-N 0 3 312.413 3.311 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c([O-])c1 ZINC001236788878 1099786060 /nfs/dbraw/zinc/78/60/60/1099786060.db2.gz SBIBIJUCQJDQIJ-KRWDZBQOSA-N 0 3 312.413 3.311 20 10 DGCDHN CCCN(CCC[NH+](C)C)Cc1c([O-])cc(OC)cc1Cl ZINC001236807769 1099800850 /nfs/dbraw/zinc/80/08/50/1099800850.db2.gz JBZSBNPOJFLEEI-UHFFFAOYSA-N 0 3 314.857 3.218 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC001236817197 1099803092 /nfs/dbraw/zinc/80/30/92/1099803092.db2.gz DASJIXIXFAVKSI-UHFFFAOYSA-N 0 3 314.429 3.407 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC001236817197 1099803097 /nfs/dbraw/zinc/80/30/97/1099803097.db2.gz DASJIXIXFAVKSI-UHFFFAOYSA-N 0 3 314.429 3.407 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001236812337 1099804018 /nfs/dbraw/zinc/80/40/18/1099804018.db2.gz CIPZTHQOOAPDIE-OAHLLOKOSA-N 0 3 312.413 3.484 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001236812337 1099804030 /nfs/dbraw/zinc/80/40/30/1099804030.db2.gz CIPZTHQOOAPDIE-OAHLLOKOSA-N 0 3 312.413 3.484 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC(c3nncn3C)CC2)c([O-])c1 ZINC001237048474 1099943859 /nfs/dbraw/zinc/94/38/59/1099943859.db2.gz GTSFPVNWCLHCLE-UHFFFAOYSA-N 0 3 314.433 3.024 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c([O-])c1 ZINC001237049630 1099944379 /nfs/dbraw/zinc/94/43/79/1099944379.db2.gz QLOXUCZORLEULJ-GASCZTMLSA-N 0 3 311.372 3.229 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c([O-])c1 ZINC001237049630 1099944381 /nfs/dbraw/zinc/94/43/81/1099944381.db2.gz QLOXUCZORLEULJ-GASCZTMLSA-N 0 3 311.372 3.229 20 10 DGCDHN CC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C1CCOCC1 ZINC001237111485 1099976408 /nfs/dbraw/zinc/97/64/08/1099976408.db2.gz PNKKROWWXRGZOC-UHFFFAOYSA-N 0 3 319.323 3.292 20 10 DGCDHN CC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C1CCOCC1 ZINC001237111485 1099976419 /nfs/dbraw/zinc/97/64/19/1099976419.db2.gz PNKKROWWXRGZOC-UHFFFAOYSA-N 0 3 319.323 3.292 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@@H]1O ZINC001237138694 1099988894 /nfs/dbraw/zinc/98/88/94/1099988894.db2.gz XXLLJDWBHNAHDK-MFKMUULPSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@@H]1O ZINC001237138694 1099988904 /nfs/dbraw/zinc/98/89/04/1099988904.db2.gz XXLLJDWBHNAHDK-MFKMUULPSA-N 0 3 303.324 3.004 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237640992 1100199753 /nfs/dbraw/zinc/19/97/53/1100199753.db2.gz JPTBDTXCJIPLNI-WMZOPIPTSA-N 0 3 319.351 3.103 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237640992 1100199756 /nfs/dbraw/zinc/19/97/56/1100199756.db2.gz JPTBDTXCJIPLNI-WMZOPIPTSA-N 0 3 319.351 3.103 20 10 DGCDHN COc1cccc(CN(C)Cc2cc(OC)cc(OC)c2O)c1 ZINC001237677009 1100212789 /nfs/dbraw/zinc/21/27/89/1100212789.db2.gz VNQKVSGJGLEFER-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN Oc1cc(Cl)c(F)cc1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237950600 1100300753 /nfs/dbraw/zinc/30/07/53/1100300753.db2.gz XJBZWVUSTHSJSP-CYBMUJFWSA-N 0 3 321.726 3.185 20 10 DGCDHN Cc1cc(F)cc(CN2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001238062931 1100346548 /nfs/dbraw/zinc/34/65/48/1100346548.db2.gz UVSLOOWMVMTJJH-SFHVURJKSA-N 0 3 314.404 3.328 20 10 DGCDHN CC[C@H](C)COC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001194829824 1101018075 /nfs/dbraw/zinc/01/80/75/1101018075.db2.gz HRGAPVGPRQFZFE-AWEZNQCLSA-N 0 3 320.433 3.129 20 10 DGCDHN CO[C@@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887131 1101413978 /nfs/dbraw/zinc/41/39/78/1101413978.db2.gz FWACKQCCARECAJ-QMTHXVAHSA-N 0 3 311.809 3.248 20 10 DGCDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1[O-] ZINC001274301220 1104347176 /nfs/dbraw/zinc/34/71/76/1104347176.db2.gz NBIXNTPJEHJSKX-IAGOWNOFSA-N 0 3 316.445 3.066 20 10 DGCDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)cccc1[O-] ZINC001274301220 1104347188 /nfs/dbraw/zinc/34/71/88/1104347188.db2.gz NBIXNTPJEHJSKX-IAGOWNOFSA-N 0 3 316.445 3.066 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(-c2noc(C34CC(C3)CN4)n2)cc1 ZINC001247898633 1105009967 /nfs/dbraw/zinc/00/99/67/1105009967.db2.gz WHWZWLQAGMWGKL-UHFFFAOYSA-N 0 3 320.396 3.353 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c([O-])c1 ZINC001249208591 1105247518 /nfs/dbraw/zinc/24/75/18/1105247518.db2.gz XPIKPQRQVXYZGB-KRWDZBQOSA-N 0 3 311.381 3.055 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c([O-])c1 ZINC001249208591 1105247522 /nfs/dbraw/zinc/24/75/22/1105247522.db2.gz XPIKPQRQVXYZGB-KRWDZBQOSA-N 0 3 311.381 3.055 20 10 DGCDHN C[C@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@@H]1O ZINC001249223835 1105249459 /nfs/dbraw/zinc/24/94/59/1105249459.db2.gz OLSZXCCUACEHGO-BBRMVZONSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@@H]1O ZINC001249223835 1105249461 /nfs/dbraw/zinc/24/94/61/1105249461.db2.gz OLSZXCCUACEHGO-BBRMVZONSA-N 0 3 317.429 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3C[C@H]4[C@H](CF)[C@H]4C3)ccc2O1 ZINC001249251934 1105256844 /nfs/dbraw/zinc/25/68/44/1105256844.db2.gz CDEUUWNFCRQVQC-QKDCVEJESA-N 0 3 303.377 3.224 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3C[C@H]4[C@H](CF)[C@H]4C3)ccc2O1 ZINC001249251934 1105256845 /nfs/dbraw/zinc/25/68/45/1105256845.db2.gz CDEUUWNFCRQVQC-QKDCVEJESA-N 0 3 303.377 3.224 20 10 DGCDHN COC[C@@H]1CCC[N@@H+]1Cc1cc(C)c(Br)cc1[O-] ZINC001250120975 1105446560 /nfs/dbraw/zinc/44/65/60/1105446560.db2.gz WYOXNCRRCFAVFU-LBPRGKRZSA-N 0 3 314.223 3.074 20 10 DGCDHN COC[C@@H]1CCC[N@H+]1Cc1cc(C)c(Br)cc1[O-] ZINC001250120975 1105446564 /nfs/dbraw/zinc/44/65/64/1105446564.db2.gz WYOXNCRRCFAVFU-LBPRGKRZSA-N 0 3 314.223 3.074 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC001251247810 1105643979 /nfs/dbraw/zinc/64/39/79/1105643979.db2.gz QKSMXQJOSRSNON-GOSISDBHSA-N 0 3 323.392 3.075 20 10 DGCDHN CCOC(=O)CC1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC001258033839 1106662560 /nfs/dbraw/zinc/66/25/60/1106662560.db2.gz KIUKZFXSSBNXJX-UHFFFAOYSA-N 0 3 305.418 3.336 20 10 DGCDHN CCOC(=O)CC1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001258033839 1106662562 /nfs/dbraw/zinc/66/25/62/1106662562.db2.gz KIUKZFXSSBNXJX-UHFFFAOYSA-N 0 3 305.418 3.336 20 10 DGCDHN CC1(C)COC2(CCC([NH2+]Cc3ccccc3[O-])CC2)OC1 ZINC001258518724 1106795249 /nfs/dbraw/zinc/79/52/49/1106795249.db2.gz YMFLKRKMGSJWET-UHFFFAOYSA-N 0 3 305.418 3.194 20 10 DGCDHN O=C1CC[C@H]([NH2+]Cc2ccccc2[O-])CCN1Cc1ccccc1 ZINC001258569330 1106827443 /nfs/dbraw/zinc/82/74/43/1106827443.db2.gz UBHDAFLWYDPJSK-SFHVURJKSA-N 0 3 324.424 3.063 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1ccc(C)cc1[O-] ZINC001322454778 1107678148 /nfs/dbraw/zinc/67/81/48/1107678148.db2.gz FKJGBCQFCXLRLC-WMZOPIPTSA-N 0 3 321.461 3.167 20 10 DGCDHN COc1ccc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c([O-])c1OC ZINC001262357187 1107686588 /nfs/dbraw/zinc/68/65/88/1107686588.db2.gz BSCHMLKRCRXYGM-QWHCGFSZSA-N 0 3 311.447 3.125 20 10 DGCDHN COc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c([O-])c1OC ZINC001262357187 1107686593 /nfs/dbraw/zinc/68/65/93/1107686593.db2.gz BSCHMLKRCRXYGM-QWHCGFSZSA-N 0 3 311.447 3.125 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1[O-] ZINC001323472634 1107984092 /nfs/dbraw/zinc/98/40/92/1107984092.db2.gz PAFRPOXHVWKMKH-LLVKDONJSA-N 0 3 321.808 3.317 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1[O-] ZINC001323472636 1107984408 /nfs/dbraw/zinc/98/44/08/1107984408.db2.gz PAFRPOXHVWKMKH-NSHDSACASA-N 0 3 321.808 3.317 20 10 DGCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090078 1111165778 /nfs/dbraw/zinc/16/57/78/1111165778.db2.gz XILKWSJLWZRTEL-ZIAGYGMSSA-N 0 3 312.413 3.034 20 10 DGCDHN COCc1csc(C[NH2+]Cc2c(C)cc(OC)cc2[O-])c1 ZINC001308866670 1111486273 /nfs/dbraw/zinc/48/62/73/1111486273.db2.gz GUSKTRLSIWPGSP-UHFFFAOYSA-N 0 3 307.415 3.207 20 10 DGCDHN C[C@H](NCc1cccc(Br)n1)c1ccccc1O ZINC001620504851 1193773276 /nfs/dbraw/zinc/77/32/76/1193773276.db2.gz CUHDLNVAKQQUEE-JTQLQIEISA-N 0 3 307.191 3.401 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000183312582 529671930 /nfs/dbraw/zinc/67/19/30/529671930.db2.gz PTHJQGAVALXIJF-IRXDYDNUSA-N 0 3 310.397 3.238 20 10 DGCDHN C[C@@H](NCC1(C)OCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000179571772 432062831 /nfs/dbraw/zinc/06/28/31/432062831.db2.gz XIZXFUCNPGUVHG-CQSZACIVSA-N 0 3 322.424 3.230 20 10 DGCDHN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1[O-] ZINC000179570290 432063180 /nfs/dbraw/zinc/06/31/80/432063180.db2.gz WNSVMLGMMWJULK-UHFFFAOYSA-N 0 3 312.413 3.116 20 10 DGCDHN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1[O-] ZINC000179570290 432063182 /nfs/dbraw/zinc/06/31/82/432063182.db2.gz WNSVMLGMMWJULK-UHFFFAOYSA-N 0 3 312.413 3.116 20 10 DGCDHN C[C@H](NCC1(C)OCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000179571758 432062610 /nfs/dbraw/zinc/06/26/10/432062610.db2.gz XIZXFUCNPGUVHG-AWEZNQCLSA-N 0 3 322.424 3.230 20 10 DGCDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccccc1O ZINC000179585137 432063552 /nfs/dbraw/zinc/06/35/52/432063552.db2.gz PISXLGGYPIOIFG-ZSEKCTLFSA-N 0 3 303.427 3.323 20 10 DGCDHN CCN(C[C@H]1CC[N@H+](Cc2ccccc2[O-])C1)CC(F)(F)F ZINC000179582410 432063586 /nfs/dbraw/zinc/06/35/86/432063586.db2.gz YXKPLTPXCBBZHD-CYBMUJFWSA-N 0 3 316.367 3.098 20 10 DGCDHN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1)CC(F)(F)F ZINC000179582410 432063589 /nfs/dbraw/zinc/06/35/89/432063589.db2.gz YXKPLTPXCBBZHD-CYBMUJFWSA-N 0 3 316.367 3.098 20 10 DGCDHN Cc1cccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000179703639 432068570 /nfs/dbraw/zinc/06/85/70/432068570.db2.gz NZIGCYKSKVNMCJ-UHFFFAOYSA-N 0 3 320.433 3.190 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000091958680 193132117 /nfs/dbraw/zinc/13/21/17/193132117.db2.gz QQEDAJIBORUFLU-GJZGRUSLSA-N 0 3 317.385 3.082 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000091958680 193132119 /nfs/dbraw/zinc/13/21/19/193132119.db2.gz QQEDAJIBORUFLU-GJZGRUSLSA-N 0 3 317.385 3.082 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000091960314 193132966 /nfs/dbraw/zinc/13/29/66/193132966.db2.gz QQROXWRHXDPXKM-GDBMZVCRSA-N 0 3 315.417 3.071 20 10 DGCDHN CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000091960314 193132968 /nfs/dbraw/zinc/13/29/68/193132968.db2.gz QQROXWRHXDPXKM-GDBMZVCRSA-N 0 3 315.417 3.071 20 10 DGCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OC)c2[O-])C12CCC2 ZINC000092040980 193146251 /nfs/dbraw/zinc/14/62/51/193146251.db2.gz UEIISLANRJOOAC-JKSUJKDBSA-N 0 3 305.418 3.180 20 10 DGCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2[O-])C12CCC2 ZINC000092040980 193146253 /nfs/dbraw/zinc/14/62/53/193146253.db2.gz UEIISLANRJOOAC-JKSUJKDBSA-N 0 3 305.418 3.180 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000268850628 432144553 /nfs/dbraw/zinc/14/45/53/432144553.db2.gz PMZQNXPOMUJZMW-PNHOKKKMSA-N 0 3 310.441 3.452 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000268981702 432148700 /nfs/dbraw/zinc/14/87/00/432148700.db2.gz QWTABCGXQQLVNJ-OAHLLOKOSA-N 0 3 305.418 3.372 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC000297576379 285397615 /nfs/dbraw/zinc/39/76/15/285397615.db2.gz GYGOXMXFGLSOEF-QGZVFWFLSA-N 0 3 300.446 3.376 20 10 DGCDHN C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185314079 533392773 /nfs/dbraw/zinc/39/27/73/533392773.db2.gz IRQFFVCMMNINEF-LLVKDONJSA-N 0 3 312.385 3.049 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc([S@](C)=O)cc1 ZINC000272421155 130028956 /nfs/dbraw/zinc/02/89/56/130028956.db2.gz LZCQUHNYOGHGAQ-FIKIJFGZSA-N 0 3 307.390 3.120 20 10 DGCDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000272659796 130051671 /nfs/dbraw/zinc/05/16/71/130051671.db2.gz RFZCSXFBFXGTMC-UONOGXRCSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000272659796 130051675 /nfs/dbraw/zinc/05/16/75/130051675.db2.gz RFZCSXFBFXGTMC-UONOGXRCSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000273364751 130112523 /nfs/dbraw/zinc/11/25/23/130112523.db2.gz DTRIFRGBBUNJSX-GXTWGEPZSA-N 0 3 321.367 3.172 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c([O-])c1C ZINC000273425697 130120729 /nfs/dbraw/zinc/12/07/29/130120729.db2.gz TZHSJEQHBZFMME-ZDUSSCGKSA-N 0 3 313.401 3.350 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273449165 130123617 /nfs/dbraw/zinc/12/36/17/130123617.db2.gz FONMVEDPLFZMCT-CZUORRHYSA-N 0 3 303.377 3.094 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c([O-])c1C ZINC000273490562 130127526 /nfs/dbraw/zinc/12/75/26/130127526.db2.gz OEOKPXCUMVNUBG-HOTGVXAUSA-N 0 3 311.429 3.334 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c([O-])c1C ZINC000273488127 130128035 /nfs/dbraw/zinc/12/80/35/130128035.db2.gz NRBHQSBHDFAASF-GJZGRUSLSA-N 0 3 305.418 3.345 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c([O-])c1C ZINC000273490556 130128525 /nfs/dbraw/zinc/12/85/25/130128525.db2.gz OEOKPXCUMVNUBG-CVEARBPZSA-N 0 3 311.429 3.334 20 10 DGCDHN Cc1noc(CCC[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)n1 ZINC000273519233 130132103 /nfs/dbraw/zinc/13/21/03/130132103.db2.gz TXNGISXBTTWDPE-GFCCVEGCSA-N 0 3 315.417 3.246 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000273548798 130135383 /nfs/dbraw/zinc/13/53/83/130135383.db2.gz ZXICVYUDXANHBG-BDJLRTHQSA-N 0 3 321.804 3.438 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])[C@]12CCCO2 ZINC000274274088 130223776 /nfs/dbraw/zinc/22/37/76/130223776.db2.gz XDURTXNIISQXKK-BVPBIZIASA-N 0 3 305.418 3.078 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000274736609 130258211 /nfs/dbraw/zinc/25/82/11/130258211.db2.gz DHTWYJNTNPULFB-NVXWUHKLSA-N 0 3 303.377 3.176 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CCO)c1[O-] ZINC000275346224 130307791 /nfs/dbraw/zinc/30/77/91/130307791.db2.gz PSMOSFVAZFJOGW-MWLCHTKSSA-N 0 3 316.239 3.132 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285641532 131188831 /nfs/dbraw/zinc/18/88/31/131188831.db2.gz KZPFKXFEVUPGDS-DXCKQFNASA-N 0 3 304.434 3.045 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)CCOCc2ccccc2)c1[O-] ZINC000288344616 131321388 /nfs/dbraw/zinc/32/13/88/131321388.db2.gz BSMQWICGDPXOIQ-OAHLLOKOSA-N 0 3 315.413 3.486 20 10 DGCDHN COCCCN(Cc1ccncc1)Cc1cccc(C)c1O ZINC000289179801 131364145 /nfs/dbraw/zinc/36/41/45/131364145.db2.gz AHFXIOTXMJGICX-UHFFFAOYSA-N 0 3 300.402 3.134 20 10 DGCDHN COCCC[N@H+](Cc1ccncc1)Cc1cccc(C)c1[O-] ZINC000289179801 131364146 /nfs/dbraw/zinc/36/41/46/131364146.db2.gz AHFXIOTXMJGICX-UHFFFAOYSA-N 0 3 300.402 3.134 20 10 DGCDHN COCCC[N@@H+](Cc1ccncc1)Cc1cccc(C)c1[O-] ZINC000289179801 131364147 /nfs/dbraw/zinc/36/41/47/131364147.db2.gz AHFXIOTXMJGICX-UHFFFAOYSA-N 0 3 300.402 3.134 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000289488371 131390964 /nfs/dbraw/zinc/39/09/64/131390964.db2.gz RHLNZBIHERFCRL-NSHDSACASA-N 0 3 314.360 3.267 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc3c(c1)OCCCO3)CC2 ZINC000297916298 132040504 /nfs/dbraw/zinc/04/05/04/132040504.db2.gz WWRQAXRTAFUEHV-HNNXBMFYSA-N 0 3 311.381 3.331 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NC[C@@H](O)c2ccc(C)o2)cc1 ZINC000268997170 432151476 /nfs/dbraw/zinc/15/14/76/432151476.db2.gz OBDBBVZWHVLOGP-WMLDXEAASA-N 0 3 302.418 3.428 20 10 DGCDHN CC[C@H](NCc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1 ZINC000151154823 432225704 /nfs/dbraw/zinc/22/57/04/432225704.db2.gz SJKYLGUFWHXXIS-SFHVURJKSA-N 0 3 300.450 3.344 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1C ZINC000182093742 228366785 /nfs/dbraw/zinc/36/67/85/228366785.db2.gz CLMPTIMPKHINCH-MRXNPFEDSA-N 0 3 313.445 3.197 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1C ZINC000182093742 228366788 /nfs/dbraw/zinc/36/67/88/228366788.db2.gz CLMPTIMPKHINCH-MRXNPFEDSA-N 0 3 313.445 3.197 20 10 DGCDHN C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183595962 228374061 /nfs/dbraw/zinc/37/40/61/228374061.db2.gz GDMVJPPDWYPCAY-QWHCGFSZSA-N 0 3 308.422 3.346 20 10 DGCDHN C[NH+]1CCC2(CCCN2Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000365266413 277038453 /nfs/dbraw/zinc/03/84/53/277038453.db2.gz WNGMBANNTGWRPS-UHFFFAOYSA-N 0 3 312.816 3.245 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1-n1ccnn1 ZINC000285597881 278357596 /nfs/dbraw/zinc/35/75/96/278357596.db2.gz JPVRZECBQBTAKU-OAHLLOKOSA-N 0 3 321.428 3.184 20 10 DGCDHN C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1[O-] ZINC000154066006 278366651 /nfs/dbraw/zinc/36/66/51/278366651.db2.gz IJOLHODKAIXZIT-QAPCUYQASA-N 0 3 324.424 3.407 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1[O-] ZINC000370373364 278388488 /nfs/dbraw/zinc/38/84/88/278388488.db2.gz JBCBKOOKPVNZDC-PXAZEXFGSA-N 0 3 300.377 3.369 20 10 DGCDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000001461281 431229523 /nfs/dbraw/zinc/22/95/23/431229523.db2.gz QVCOJNSOQPFNPA-HNNXBMFYSA-N 0 3 313.397 3.321 20 10 DGCDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000001461281 431229533 /nfs/dbraw/zinc/22/95/33/431229533.db2.gz QVCOJNSOQPFNPA-HNNXBMFYSA-N 0 3 313.397 3.321 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1ccncc1)C[C@@H]1CCCO1 ZINC000112600310 431287810 /nfs/dbraw/zinc/28/78/10/431287810.db2.gz MOGKVKPDJPIMBF-SFHVURJKSA-N 0 3 312.413 3.011 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1ccncc1)C[C@@H]1CCCO1 ZINC000112600310 431287818 /nfs/dbraw/zinc/28/78/18/431287818.db2.gz MOGKVKPDJPIMBF-SFHVURJKSA-N 0 3 312.413 3.011 20 10 DGCDHN COc1ccc(O)c(CNCc2ccccc2OC(F)F)c1 ZINC000074335795 431415056 /nfs/dbraw/zinc/41/50/56/431415056.db2.gz YUTBNUZHKBKSME-UHFFFAOYSA-N 0 3 309.312 3.292 20 10 DGCDHN O=C(NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)C1CC1 ZINC000029586560 431724109 /nfs/dbraw/zinc/72/41/09/431724109.db2.gz RKWIKADSNVNXLW-UHFFFAOYSA-N 0 3 324.424 3.036 20 10 DGCDHN Cc1ncc([C@@H](C)NCc2ccc3c(c2)CCCN3C)c(C)n1 ZINC000122926879 431848611 /nfs/dbraw/zinc/84/86/11/431848611.db2.gz XJNDNTRVSRXGIL-CYBMUJFWSA-N 0 3 310.445 3.327 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563846 431916074 /nfs/dbraw/zinc/91/60/74/431916074.db2.gz GVUWRNONDFQPRC-MRXNPFEDSA-N 0 3 308.853 3.496 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000183316669 432282416 /nfs/dbraw/zinc/28/24/16/432282416.db2.gz NZTQYPITDRMZCS-YOEHRIQHSA-N 0 3 312.413 3.138 20 10 DGCDHN C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1ccccc1[O-] ZINC000183601420 432307613 /nfs/dbraw/zinc/30/76/13/432307613.db2.gz YBNFWXJWNHVIRD-OAHLLOKOSA-N 0 3 324.424 3.412 20 10 DGCDHN CCc1nc([C@@H](C)N[C@H](CC)c2ccc(N(C)C)cc2)n[nH]1 ZINC000271443596 432397675 /nfs/dbraw/zinc/39/76/75/432397675.db2.gz FKTXFCXTMJXBLY-IUODEOHRSA-N 0 3 301.438 3.235 20 10 DGCDHN CC(=O)N1CCN(Cc2cc(C)ccc2O)CC12CCCCC2 ZINC000271299978 432370791 /nfs/dbraw/zinc/37/07/91/432370791.db2.gz TYTKAELQJKJUST-UHFFFAOYSA-N 0 3 316.445 3.068 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)c1[O-] ZINC000271922355 432428223 /nfs/dbraw/zinc/42/82/23/432428223.db2.gz CGDVXMNWKOMSON-KPZWWZAWSA-N 0 3 319.376 3.406 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)c1[O-] ZINC000271922363 432428380 /nfs/dbraw/zinc/42/83/80/432428380.db2.gz CGDVXMNWKOMSON-SGTLLEGYSA-N 0 3 319.376 3.406 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192922985 432429103 /nfs/dbraw/zinc/42/91/03/432429103.db2.gz XOGVJDVRIZOQAW-INIZCTEOSA-N 0 3 314.404 3.143 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccccc1[O-] ZINC000271689738 432421917 /nfs/dbraw/zinc/42/19/17/432421917.db2.gz KAPLHWMKPCLYFM-WMZOPIPTSA-N 0 3 301.386 3.175 20 10 DGCDHN CC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccccc1[O-] ZINC000271687381 432422013 /nfs/dbraw/zinc/42/20/13/432422013.db2.gz JPVXTESQXJEJHI-MRXNPFEDSA-N 0 3 304.434 3.224 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)CCc2nccs2)c1[O-] ZINC000184701420 432422151 /nfs/dbraw/zinc/42/21/51/432422151.db2.gz SSIUFISABYBYQT-UHFFFAOYSA-N 0 3 312.822 3.185 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCc2nccs2)c1[O-] ZINC000184701420 432422155 /nfs/dbraw/zinc/42/21/55/432422155.db2.gz SSIUFISABYBYQT-UHFFFAOYSA-N 0 3 312.822 3.185 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CSC)c1[O-] ZINC000184700057 432422846 /nfs/dbraw/zinc/42/28/46/432422846.db2.gz BMNSDGJQFSFNBQ-GFCCVEGCSA-N 0 3 301.839 3.382 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CSC)c1[O-] ZINC000184700057 432422850 /nfs/dbraw/zinc/42/28/50/432422850.db2.gz BMNSDGJQFSFNBQ-GFCCVEGCSA-N 0 3 301.839 3.382 20 10 DGCDHN CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185155181 432471388 /nfs/dbraw/zinc/47/13/88/432471388.db2.gz OHRKERBNBXGFNW-ZIAGYGMSSA-N 0 3 318.461 3.226 20 10 DGCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000185206541 432477915 /nfs/dbraw/zinc/47/79/15/432477915.db2.gz JIRXXPYDRIDXPU-KFWWJZLASA-N 0 3 324.440 3.071 20 10 DGCDHN C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1[O-] ZINC000154066116 432469786 /nfs/dbraw/zinc/46/97/86/432469786.db2.gz IJOLHODKAIXZIT-MAUKXSAKSA-N 0 3 324.424 3.407 20 10 DGCDHN CN(C)C(=O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263655736 432562215 /nfs/dbraw/zinc/56/22/15/432562215.db2.gz FVQFRNVQRCIEQG-UHFFFAOYSA-N 0 3 312.413 3.017 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000194619399 432563468 /nfs/dbraw/zinc/56/34/68/432563468.db2.gz ABTCGMNCJTUZNQ-LLVKDONJSA-N 0 3 302.330 3.160 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000185828996 432536633 /nfs/dbraw/zinc/53/66/33/432536633.db2.gz FPMUVUNVJDYFCD-DYVFJYSZSA-N 0 3 307.434 3.383 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000186189808 432566522 /nfs/dbraw/zinc/56/65/22/432566522.db2.gz RZMZDNBRABRPQU-KZULUSFZSA-N 0 3 319.376 3.098 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000186456411 432596841 /nfs/dbraw/zinc/59/68/41/432596841.db2.gz UQKUQMBIUXFFSH-KUHUBIRLSA-N 0 3 314.429 3.182 20 10 DGCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273463302 432602902 /nfs/dbraw/zinc/60/29/02/432602902.db2.gz IMZFUKAJVSFDHZ-YJBOKZPZSA-N 0 3 324.424 3.152 20 10 DGCDHN CCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCOCC1 ZINC000273746472 432630576 /nfs/dbraw/zinc/63/05/76/432630576.db2.gz MURFJCFIARWSKD-UHFFFAOYSA-N 0 3 313.825 3.351 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1Cl ZINC000187246068 432654754 /nfs/dbraw/zinc/65/47/54/432654754.db2.gz AGHQOGBFKGJNPP-INIZCTEOSA-N 0 3 309.768 3.350 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1Cl ZINC000187246068 432654758 /nfs/dbraw/zinc/65/47/58/432654758.db2.gz AGHQOGBFKGJNPP-INIZCTEOSA-N 0 3 309.768 3.350 20 10 DGCDHN CC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187308737 432657142 /nfs/dbraw/zinc/65/71/42/432657142.db2.gz PKLIZWJANLRICO-PWSUYJOCSA-N 0 3 316.239 3.275 20 10 DGCDHN CCOc1cccc(CNCc2ccc(C(C)(C)O)cc2)c1O ZINC000187509640 432666664 /nfs/dbraw/zinc/66/66/64/432666664.db2.gz WLXVUYAOCMHIQM-UHFFFAOYSA-N 0 3 315.413 3.308 20 10 DGCDHN CCOc1cccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1[O-] ZINC000187509640 432666668 /nfs/dbraw/zinc/66/66/68/432666668.db2.gz WLXVUYAOCMHIQM-UHFFFAOYSA-N 0 3 315.413 3.308 20 10 DGCDHN C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000187904711 432692183 /nfs/dbraw/zinc/69/21/83/432692183.db2.gz KZCGWMMDDDTUOU-ACJLOTCBSA-N 0 3 303.377 3.480 20 10 DGCDHN COc1cccc(CN[C@H](C)c2cc(F)ccc2OC)c1O ZINC000237234963 432782427 /nfs/dbraw/zinc/78/24/27/432782427.db2.gz WUFAEYUXGUDTKK-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN O=C1OCCN1c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296331886 432897330 /nfs/dbraw/zinc/89/73/30/432897330.db2.gz GKDZSHGNRAMHHU-MRXNPFEDSA-N 0 3 324.380 3.126 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccc(C)cc2)c1[O-] ZINC000278806299 432903001 /nfs/dbraw/zinc/90/30/01/432903001.db2.gz YFQZQEVZRTWXID-HNNXBMFYSA-N 0 3 321.804 3.186 20 10 DGCDHN C[C@@H](c1cc(F)ccc1[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296473755 432911663 /nfs/dbraw/zinc/91/16/63/432911663.db2.gz NWKCNZQLWZXDSY-STQMWFEESA-N 0 3 322.424 3.206 20 10 DGCDHN C[C@@H](c1cc(F)ccc1[O-])[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296473755 432911667 /nfs/dbraw/zinc/91/16/67/432911667.db2.gz NWKCNZQLWZXDSY-STQMWFEESA-N 0 3 322.424 3.206 20 10 DGCDHN CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])C(C)C ZINC000296538092 432920533 /nfs/dbraw/zinc/92/05/33/432920533.db2.gz QWFSSASGDMZKRG-HOCLYGCPSA-N 0 3 306.450 3.163 20 10 DGCDHN Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1C ZINC000289699145 432970558 /nfs/dbraw/zinc/97/05/58/432970558.db2.gz ONQIFPFUUHOWGF-KBPBESRZSA-N 0 3 317.351 3.002 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1C ZINC000289699145 432970559 /nfs/dbraw/zinc/97/05/59/432970559.db2.gz ONQIFPFUUHOWGF-KBPBESRZSA-N 0 3 317.351 3.002 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1C ZINC000289699145 432970567 /nfs/dbraw/zinc/97/05/67/432970567.db2.gz ONQIFPFUUHOWGF-KBPBESRZSA-N 0 3 317.351 3.002 20 10 DGCDHN CCN(CC)c1ccc(CNCCc2nnc(C)s2)cc1 ZINC000289766341 432975294 /nfs/dbraw/zinc/97/52/94/432975294.db2.gz IOSFNUHXHRUKPJ-UHFFFAOYSA-N 0 3 304.463 3.025 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@H]2c2ccncc2)cc1OC ZINC000289972918 432981270 /nfs/dbraw/zinc/98/12/70/432981270.db2.gz ZFXMYTSVEYKUFT-HNNXBMFYSA-N 0 3 314.385 3.142 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c([O-])c1 ZINC000297250536 432981310 /nfs/dbraw/zinc/98/13/10/432981310.db2.gz JFUXZUCXEZRODB-CZUORRHYSA-N 0 3 303.377 3.094 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1[O-] ZINC000280075811 433002497 /nfs/dbraw/zinc/00/24/97/433002497.db2.gz LKXARXHEJIOJJL-NVXWUHKLSA-N 0 3 311.429 3.415 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000280126261 433004095 /nfs/dbraw/zinc/00/40/95/433004095.db2.gz ORETTXZTZBXNQP-IEBWSBKVSA-N 0 3 315.413 3.484 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccc(C)cc1[O-] ZINC000280258186 433023859 /nfs/dbraw/zinc/02/38/59/433023859.db2.gz XASFRAAAKFZJOR-MRXNPFEDSA-N 0 3 313.401 3.295 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1C[C@H](c3ccccc3F)C1)OCO2 ZINC000280729785 433151452 /nfs/dbraw/zinc/15/14/52/433151452.db2.gz VRNHSZDBGPDYJH-AULYBMBSSA-N 0 3 315.344 3.296 20 10 DGCDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)c([O-])c1 ZINC000373485202 433153298 /nfs/dbraw/zinc/15/32/98/433153298.db2.gz YXHTUCAOONRPKJ-UHFFFAOYSA-N 0 3 323.396 3.389 20 10 DGCDHN C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000280874131 433207226 /nfs/dbraw/zinc/20/72/26/433207226.db2.gz AKRGKDLLYNGSLY-DMZKTXOQSA-N 0 3 321.486 3.223 20 10 DGCDHN COC[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000375096241 433360623 /nfs/dbraw/zinc/36/06/23/433360623.db2.gz DKJGWQIOAHIKLD-GFCCVEGCSA-N 0 3 313.825 3.303 20 10 DGCDHN COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000375096241 433360632 /nfs/dbraw/zinc/36/06/32/433360632.db2.gz DKJGWQIOAHIKLD-GFCCVEGCSA-N 0 3 313.825 3.303 20 10 DGCDHN CCOc1ccc(O)c(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000375298049 433417387 /nfs/dbraw/zinc/41/73/87/433417387.db2.gz QQLZPSASNYVMTP-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000375298049 433417395 /nfs/dbraw/zinc/41/73/95/433417395.db2.gz QQLZPSASNYVMTP-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000375298049 433417405 /nfs/dbraw/zinc/41/74/05/433417405.db2.gz QQLZPSASNYVMTP-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN CCCCN(CC(=O)N1CCCCC1)Cc1ccccc1O ZINC000282501970 433615265 /nfs/dbraw/zinc/61/52/65/433615265.db2.gz QWKGKHJKCOPSOO-UHFFFAOYSA-N 0 3 304.434 3.007 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1C ZINC000284973617 433911839 /nfs/dbraw/zinc/91/18/39/433911839.db2.gz BGVXZOLHVVJXAO-OAHLLOKOSA-N 0 3 317.351 3.288 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1C ZINC000284973617 433911847 /nfs/dbraw/zinc/91/18/47/433911847.db2.gz BGVXZOLHVVJXAO-OAHLLOKOSA-N 0 3 317.351 3.288 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377836165 434013918 /nfs/dbraw/zinc/01/39/18/434013918.db2.gz ZGRTZDRQUNOPCC-HUUCEWRRSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377836165 434013933 /nfs/dbraw/zinc/01/39/33/434013933.db2.gz ZGRTZDRQUNOPCC-HUUCEWRRSA-N 0 3 305.418 3.039 20 10 DGCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000294789032 434147625 /nfs/dbraw/zinc/14/76/25/434147625.db2.gz LTLJENPKHTXRSF-ZMSDIMECSA-N 0 3 324.424 3.124 20 10 DGCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000294789032 434147633 /nfs/dbraw/zinc/14/76/33/434147633.db2.gz LTLJENPKHTXRSF-ZMSDIMECSA-N 0 3 324.424 3.124 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c([O-])c1C ZINC000363870554 434170975 /nfs/dbraw/zinc/17/09/75/434170975.db2.gz XSUZVUGLSXWQGQ-CJNGLKHVSA-N 0 3 311.429 3.316 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccccc1[O-] ZINC000295105756 434202730 /nfs/dbraw/zinc/20/27/30/434202730.db2.gz KZIZMQCHZODWBQ-WBVHZDCISA-N 0 3 303.377 3.176 20 10 DGCDHN COc1ccc(O)c(CNCc2ccnc(C(F)(F)F)c2)c1 ZINC000295104795 434205230 /nfs/dbraw/zinc/20/52/30/434205230.db2.gz UCJFCLDXAQBMKH-UHFFFAOYSA-N 0 3 312.291 3.104 20 10 DGCDHN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000295207032 434254331 /nfs/dbraw/zinc/25/43/31/434254331.db2.gz ZLXXLTJRBDPCQZ-CYBMUJFWSA-N 0 3 305.340 3.456 20 10 DGCDHN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000295207033 434255124 /nfs/dbraw/zinc/25/51/24/434255124.db2.gz ZLXXLTJRBDPCQZ-ZDUSSCGKSA-N 0 3 305.340 3.456 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cccc(Cn3cccn3)c1)CC2 ZINC000295845079 434439838 /nfs/dbraw/zinc/43/98/38/434439838.db2.gz FUNNJONTOUHGRP-GOSISDBHSA-N 0 3 319.408 3.414 20 10 DGCDHN Cc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000527536343 435013082 /nfs/dbraw/zinc/01/30/82/435013082.db2.gz WRQDCIRQHPJACG-GOSISDBHSA-N 0 3 312.413 3.277 20 10 DGCDHN COc1cccc([C@@H](C[NH2+]Cc2cc(F)ccc2[O-])OC)c1 ZINC000529640725 435038761 /nfs/dbraw/zinc/03/87/61/435038761.db2.gz XOTKYYKEXBGCKP-QGZVFWFLSA-N 0 3 305.349 3.017 20 10 DGCDHN COc1ccc(CC[NH2+]Cc2cc(Cl)cc(C)c2[O-])cn1 ZINC000529661982 435039319 /nfs/dbraw/zinc/03/93/19/435039319.db2.gz MDDOCDCDIMTXCS-UHFFFAOYSA-N 0 3 306.793 3.090 20 10 DGCDHN O=C(c1cccc2c1CCNC2)N1CCc2ccc(Cl)cc21 ZINC000662548506 436361390 /nfs/dbraw/zinc/36/13/90/436361390.db2.gz GVNHWKHWBJLAKD-UHFFFAOYSA-N 0 3 312.800 3.189 20 10 DGCDHN O=C(c1cccc2c1CCNC2)N1CC2(CC2)c2ccccc21 ZINC000662611916 436369041 /nfs/dbraw/zinc/36/90/41/436369041.db2.gz IUTIFBZEQCIEAX-UHFFFAOYSA-N 0 3 304.393 3.024 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1 ZINC000363859276 301654145 /nfs/dbraw/zinc/65/41/45/301654145.db2.gz FJTZEVFPAXLDKD-CQSZACIVSA-N 0 3 308.385 3.132 20 10 DGCDHN CC(C)Oc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1 ZINC000662809093 436390143 /nfs/dbraw/zinc/39/01/43/436390143.db2.gz DQGBTOQVICWMIA-UHFFFAOYSA-N 0 3 324.424 3.396 20 10 DGCDHN C[C@@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCCC1 ZINC000530109163 313321128 /nfs/dbraw/zinc/32/11/28/313321128.db2.gz WTVOKDWRFHKUPO-UGSOOPFHSA-N 0 3 319.445 3.466 20 10 DGCDHN C[C@@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCCC1 ZINC000530109163 313321131 /nfs/dbraw/zinc/32/11/31/313321131.db2.gz WTVOKDWRFHKUPO-UGSOOPFHSA-N 0 3 319.445 3.466 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000293661202 335114726 /nfs/dbraw/zinc/11/47/26/335114726.db2.gz IQEKYGJSYZZLIF-ZFWWWQNUSA-N 0 3 307.434 3.240 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2)c1 ZINC000185183922 333205247 /nfs/dbraw/zinc/20/52/47/333205247.db2.gz UNQKZDKGQYJESV-HUUCEWRRSA-N 0 3 312.413 3.056 20 10 DGCDHN COc1ccc([C@H](CCO)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296865836 335146949 /nfs/dbraw/zinc/14/69/49/335146949.db2.gz NTEGVVCYVKQPAQ-IRXDYDNUSA-N 0 3 313.397 3.101 20 10 DGCDHN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000289846545 334168556 /nfs/dbraw/zinc/16/85/56/334168556.db2.gz QEWVNDGLWGECRD-IXDGSTSKSA-N 0 3 315.388 3.348 20 10 DGCDHN C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000289846537 334168699 /nfs/dbraw/zinc/16/86/99/334168699.db2.gz QEWVNDGLWGECRD-IRWQIABSSA-N 0 3 315.388 3.348 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)c([O-])c1 ZINC000265877529 520366177 /nfs/dbraw/zinc/36/61/77/520366177.db2.gz NNPCFTXYPBDWAF-QGZVFWFLSA-N 0 3 321.442 3.240 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000265117442 520367304 /nfs/dbraw/zinc/36/73/04/520367304.db2.gz DMENTFKDFZAGQW-LJQANCHMSA-N 0 3 315.413 3.178 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2[O-])[C@]12CCCO2 ZINC000364338593 520433892 /nfs/dbraw/zinc/43/38/92/520433892.db2.gz BDAVBMJSUJENQV-DZJNRPSUSA-N 0 3 305.418 3.160 20 10 DGCDHN CCN(CC)[C@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccco1 ZINC000180542120 520866580 /nfs/dbraw/zinc/86/65/80/520866580.db2.gz YRVHKICMUIEWKS-OAHLLOKOSA-N 0 3 306.381 3.297 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000267156846 521155542 /nfs/dbraw/zinc/15/55/42/521155542.db2.gz DSUYCDUQTLLURH-XIKOKIGWSA-N 0 3 319.376 3.142 20 10 DGCDHN CCOc1cccc(C[NH2+][C@](C)(CO)C2CCCCC2)c1[O-] ZINC000265760644 521376334 /nfs/dbraw/zinc/37/63/34/521376334.db2.gz JRUHUPJTSVZWTL-GOSISDBHSA-N 0 3 307.434 3.212 20 10 DGCDHN CCSCC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000180670812 521711923 /nfs/dbraw/zinc/71/19/23/521711923.db2.gz PNWKHMZQXDWBPR-GFCCVEGCSA-N 0 3 313.463 3.373 20 10 DGCDHN CCSCC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000180670812 521711926 /nfs/dbraw/zinc/71/19/26/521711926.db2.gz PNWKHMZQXDWBPR-GFCCVEGCSA-N 0 3 313.463 3.373 20 10 DGCDHN CC[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccccc1[O-] ZINC000155504008 522576270 /nfs/dbraw/zinc/57/62/70/522576270.db2.gz FCHFCVQNFZRVNF-INIZCTEOSA-N 0 3 304.434 3.226 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000121091327 522629627 /nfs/dbraw/zinc/62/96/27/522629627.db2.gz GVVDJHLHXZTNDB-WMZOPIPTSA-N 0 3 301.386 3.175 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@H](SC)C2)cc1OC ZINC000180763370 522772109 /nfs/dbraw/zinc/77/21/09/522772109.db2.gz LGGRHUZMDXFCBO-ZDUSSCGKSA-N 0 3 311.447 3.127 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@H](SC)C2)cc1OC ZINC000180763370 522772119 /nfs/dbraw/zinc/77/21/19/522772119.db2.gz LGGRHUZMDXFCBO-ZDUSSCGKSA-N 0 3 311.447 3.127 20 10 DGCDHN Cn1cc(-c2ccccc2CNCc2ccc3c(c2)CCO3)cn1 ZINC000362674353 534718369 /nfs/dbraw/zinc/71/83/69/534718369.db2.gz DGQKRKZVGHUAPN-UHFFFAOYSA-N 0 3 319.408 3.312 20 10 DGCDHN COc1ccc(CN[C@H](C)[C@H](O)c2cccc(F)c2)cc1C ZINC000267168869 524089431 /nfs/dbraw/zinc/08/94/31/524089431.db2.gz HLMTUDGOTNCWJF-ACJLOTCBSA-N 0 3 303.377 3.354 20 10 DGCDHN COc1ccc(COCC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000179879689 524113988 /nfs/dbraw/zinc/11/39/88/524113988.db2.gz PYFWMVNFRIRTGW-AWEZNQCLSA-N 0 3 301.386 3.268 20 10 DGCDHN Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1[O-] ZINC000180765582 524402298 /nfs/dbraw/zinc/40/22/98/524402298.db2.gz QQMLAXWETUJOLO-CRAIPNDOSA-N 0 3 300.446 3.149 20 10 DGCDHN Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1[O-] ZINC000180765582 524402305 /nfs/dbraw/zinc/40/23/05/524402305.db2.gz QQMLAXWETUJOLO-CRAIPNDOSA-N 0 3 300.446 3.149 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2OC)c1 ZINC000182409382 524762304 /nfs/dbraw/zinc/76/23/04/524762304.db2.gz BJNGWGIHSWUXLY-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1 ZINC000182392208 524764708 /nfs/dbraw/zinc/76/47/08/524764708.db2.gz DMFRLUNHPCCALU-AUUYWEPGSA-N 0 3 315.413 3.402 20 10 DGCDHN Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000179875679 524977178 /nfs/dbraw/zinc/97/71/78/524977178.db2.gz UMNDPUDODBTSCB-YOEHRIQHSA-N 0 3 310.397 3.157 20 10 DGCDHN Cc1cc(O)c(CN[C@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000182107723 525323327 /nfs/dbraw/zinc/32/33/27/525323327.db2.gz VVDVMTDZKVEYRT-VGOFRKELSA-N 0 3 317.454 3.218 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000186136686 525749756 /nfs/dbraw/zinc/74/97/56/525749756.db2.gz YHTOZPGJOFFGBG-JKIFEVAISA-N 0 3 307.459 3.406 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180271202 526349658 /nfs/dbraw/zinc/34/96/58/526349658.db2.gz ZNMDLUJMBGSTGE-GDBMZVCRSA-N 0 3 305.349 3.212 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180271202 526349661 /nfs/dbraw/zinc/34/96/61/526349661.db2.gz ZNMDLUJMBGSTGE-GDBMZVCRSA-N 0 3 305.349 3.212 20 10 DGCDHN c1cc2cccc(CNCc3ccc(N4CCOCC4)cc3)c2[nH]1 ZINC000236704576 526450376 /nfs/dbraw/zinc/45/03/76/526450376.db2.gz ZVDHUCMHYCRWAG-UHFFFAOYSA-N 0 3 321.424 3.294 20 10 DGCDHN COc1ccc(CC[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000119929794 536838902 /nfs/dbraw/zinc/83/89/02/536838902.db2.gz MDNUOBKHBBOOPM-ZDUSSCGKSA-N 0 3 301.386 3.303 20 10 DGCDHN O=C(c1cccc2c1CCNC2)N1CCCCc2ccccc21 ZINC000322295338 546473900 /nfs/dbraw/zinc/47/39/00/546473900.db2.gz SHCIKLHBVBZRHN-UHFFFAOYSA-N 0 3 306.409 3.315 20 10 DGCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000730273325 574523588 /nfs/dbraw/zinc/52/35/88/574523588.db2.gz PXJBKZISXDCWCU-GOSISDBHSA-N 0 3 319.493 3.077 20 10 DGCDHN CN1CCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000731041543 574541932 /nfs/dbraw/zinc/54/19/32/574541932.db2.gz FYQLMYCJYFCCND-MRXNPFEDSA-N 0 3 310.441 3.491 20 10 DGCDHN Cc1cc(C)n(CCN(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000731751868 574558227 /nfs/dbraw/zinc/55/82/27/574558227.db2.gz HLYSTQPNBSZMBE-UHFFFAOYSA-N 0 3 312.461 3.231 20 10 DGCDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccccc1O ZINC000735855986 574718281 /nfs/dbraw/zinc/71/82/81/574718281.db2.gz AIQLKDCXHCQTSU-UHFFFAOYSA-N 0 3 324.380 3.130 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1F ZINC000741262808 574954494 /nfs/dbraw/zinc/95/44/94/574954494.db2.gz WOLWVMNZQVMWJF-QGZVFWFLSA-N 0 3 320.408 3.397 20 10 DGCDHN CCc1cccc(NC(=O)CNCc2cc(C)c(C)cc2O)c1 ZINC000742370788 574993015 /nfs/dbraw/zinc/99/30/15/574993015.db2.gz MWBZGEMAUBFEBF-UHFFFAOYSA-N 0 3 312.413 3.300 20 10 DGCDHN CC(C)(C)c1cc(O)c([O-])c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749799942 575679471 /nfs/dbraw/zinc/67/94/71/575679471.db2.gz PZUYCYIFTWIBMD-KGLIPLIRSA-N 0 3 319.445 3.254 20 10 DGCDHN CC(C)(C)c1cc(O)c([O-])c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749799942 575679473 /nfs/dbraw/zinc/67/94/73/575679473.db2.gz PZUYCYIFTWIBMD-KGLIPLIRSA-N 0 3 319.445 3.254 20 10 DGCDHN CCN(CC)[C@@H](C[NH2+]Cc1c([O-])cccc1OC)c1ccco1 ZINC000725849740 575931718 /nfs/dbraw/zinc/93/17/18/575931718.db2.gz WIWFANSYEVKDCC-HNNXBMFYSA-N 0 3 318.417 3.167 20 10 DGCDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000728301171 576174418 /nfs/dbraw/zinc/17/44/18/576174418.db2.gz KDIZKRDZIYSUFI-CQSZACIVSA-N 0 3 324.424 3.373 20 10 DGCDHN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c1CNC2 ZINC000852789663 620649107 /nfs/dbraw/zinc/64/91/07/620649107.db2.gz CUPCFPBNEYYHSE-UHFFFAOYSA-N 0 3 307.397 3.142 20 10 DGCDHN CN(Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1O ZINC000111235149 620685178 /nfs/dbraw/zinc/68/51/78/620685178.db2.gz BXONSPQFEUMICI-UHFFFAOYSA-N 0 3 319.788 3.449 20 10 DGCDHN C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000111235149 620685179 /nfs/dbraw/zinc/68/51/79/620685179.db2.gz BXONSPQFEUMICI-UHFFFAOYSA-N 0 3 319.788 3.449 20 10 DGCDHN C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000111235149 620685180 /nfs/dbraw/zinc/68/51/80/620685180.db2.gz BXONSPQFEUMICI-UHFFFAOYSA-N 0 3 319.788 3.449 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4COC[C@]4(C)C3)c2c1 ZINC000853567106 620710075 /nfs/dbraw/zinc/71/00/75/620710075.db2.gz SYBGUUKHKPWYGG-LIRRHRJNSA-N 0 3 313.397 3.022 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4COC[C@]4(C)C3)c2c1 ZINC000853567106 620710078 /nfs/dbraw/zinc/71/00/78/620710078.db2.gz SYBGUUKHKPWYGG-LIRRHRJNSA-N 0 3 313.397 3.022 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000806167706 617647404 /nfs/dbraw/zinc/64/74/04/617647404.db2.gz GFLUYATTWWXVJS-NOLJZWGESA-N 0 3 315.388 3.273 20 10 DGCDHN CCN(Cc1cn2ccnc2s1)Cc1ccc(N(C)C)cc1 ZINC000891435358 617798274 /nfs/dbraw/zinc/79/82/74/617798274.db2.gz AHLAZAHRUWZIRO-UHFFFAOYSA-N 0 3 314.458 3.484 20 10 DGCDHN CCN(Cc1cnn(C)c1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000891436814 617798794 /nfs/dbraw/zinc/79/87/94/617798794.db2.gz QAWGFHHKOAQNDU-UHFFFAOYSA-N 0 3 312.461 3.386 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)cc1)c1ccncc1CO ZINC000891603509 617849846 /nfs/dbraw/zinc/84/98/46/617849846.db2.gz WQRYCLIKYCUSLI-UHFFFAOYSA-N 0 3 311.429 3.201 20 10 DGCDHN COc1ccc(CN2CCC[C@H]2c2ccccn2)c(O)c1OC ZINC000891630137 617856526 /nfs/dbraw/zinc/85/65/26/617856526.db2.gz LOFUMKUQZBMVOR-HNNXBMFYSA-N 0 3 314.385 3.142 20 10 DGCDHN Cc1nn(C(C)C)c(C)c1CNCc1ccc(N(C)C)cc1 ZINC000892474744 618075301 /nfs/dbraw/zinc/07/53/01/618075301.db2.gz AIUGBXVWSWELIJ-UHFFFAOYSA-N 0 3 300.450 3.437 20 10 DGCDHN Cc1nccn1C[C@@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840891953 618147814 /nfs/dbraw/zinc/14/78/14/618147814.db2.gz GQUXUQQHQBNSRE-LBPRGKRZSA-N 0 3 307.825 3.285 20 10 DGCDHN Cc1cc([C@@H](C)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nn1C ZINC000840894170 618325890 /nfs/dbraw/zinc/32/58/90/618325890.db2.gz PMRBZZJMHGIMHV-GOEBONIOSA-N 0 3 314.477 3.385 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000840896631 618405204 /nfs/dbraw/zinc/40/52/04/618405204.db2.gz JIVRHIGSBZXXPD-ZFWWWQNUSA-N 0 3 300.377 3.461 20 10 DGCDHN CSc1cc(CNCc2ccc(N(C)C)cc2C)ccn1 ZINC000840935930 618610361 /nfs/dbraw/zinc/61/03/61/618610361.db2.gz DWNPZYCXIXOZHE-UHFFFAOYSA-N 0 3 301.459 3.468 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000840970355 618646422 /nfs/dbraw/zinc/64/64/22/618646422.db2.gz PWVBQPIRAZDRMB-QGZVFWFLSA-N 0 3 305.418 3.038 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000840970355 618646423 /nfs/dbraw/zinc/64/64/23/618646423.db2.gz PWVBQPIRAZDRMB-QGZVFWFLSA-N 0 3 305.418 3.038 20 10 DGCDHN C[C@@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 ZINC000925855832 618647276 /nfs/dbraw/zinc/64/72/76/618647276.db2.gz IFDXQPUQLIDSTE-DOMZBBRYSA-N 0 3 315.383 3.088 20 10 DGCDHN COc1cccc(O)c1CN(Cc1ccccn1)CC(C)C ZINC000896665234 618943728 /nfs/dbraw/zinc/94/37/28/618943728.db2.gz PYCDKLQNICTEIQ-UHFFFAOYSA-N 0 3 300.402 3.454 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC000896824017 618965445 /nfs/dbraw/zinc/96/54/45/618965445.db2.gz RAJVPERWBGJDOL-TZMCWYRMSA-N 0 3 303.324 3.290 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c1[O-] ZINC000897507928 619141015 /nfs/dbraw/zinc/14/10/15/619141015.db2.gz HRKCJSJCGFYTRM-KGLIPLIRSA-N 0 3 311.809 3.101 20 10 DGCDHN CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000897522973 619144948 /nfs/dbraw/zinc/14/49/48/619144948.db2.gz QUOVGSSXSRTMAK-CYBMUJFWSA-N 0 3 309.303 3.105 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCOC23CCCCC3)c([O-])c1 ZINC000897729718 619179611 /nfs/dbraw/zinc/17/96/11/619179611.db2.gz YHZYJJVECTXTID-KRWDZBQOSA-N 0 3 305.418 3.372 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000898102685 619217427 /nfs/dbraw/zinc/21/74/27/619217427.db2.gz XWHYDJLKAGOYIG-CTYIDZIISA-N 0 3 320.433 3.094 20 10 DGCDHN Cc1cc(CCN[C@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1 ZINC000902731198 619667274 /nfs/dbraw/zinc/66/72/74/619667274.db2.gz WHZXPVAEMFAKPI-OAHLLOKOSA-N 0 3 323.444 3.116 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(C)cc1[O-] ZINC000903389493 619770510 /nfs/dbraw/zinc/77/05/10/619770510.db2.gz LZOMCCUCHAFSSC-DOTOQJQBSA-N 0 3 305.418 3.079 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000903389896 619770942 /nfs/dbraw/zinc/77/09/42/619770942.db2.gz PBFNDRJYBGBFJW-OSAQELSMSA-N 0 3 321.392 3.007 20 10 DGCDHN C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1[O-] ZINC000154037426 620633701 /nfs/dbraw/zinc/63/37/01/620633701.db2.gz UHEWHIVUINEKDD-OAHLLOKOSA-N 0 3 307.397 3.488 20 10 DGCDHN COC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000112962181 620867649 /nfs/dbraw/zinc/86/76/49/620867649.db2.gz AUANQZSQICSSDV-CQSZACIVSA-N 0 3 315.413 3.412 20 10 DGCDHN COC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000112962181 620867654 /nfs/dbraw/zinc/86/76/54/620867654.db2.gz AUANQZSQICSSDV-CQSZACIVSA-N 0 3 315.413 3.412 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1cccc2[nH]c(=O)oc21 ZINC000921747031 620944094 /nfs/dbraw/zinc/94/40/94/620944094.db2.gz LADPGXINEKMEDC-UHFFFAOYSA-N 0 3 311.385 3.198 20 10 DGCDHN COc1cc(O)c(CN2CC(C)(c3ccccc3)C2)cc1OC ZINC000857059035 621052631 /nfs/dbraw/zinc/05/26/31/621052631.db2.gz YOZDBXIHLMAYEM-UHFFFAOYSA-N 0 3 313.397 3.183 20 10 DGCDHN Cc1cc(CO)cc(C)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000922561304 621055836 /nfs/dbraw/zinc/05/58/36/621055836.db2.gz OWSBURPVPDWGNF-UHFFFAOYSA-N 0 3 316.420 3.291 20 10 DGCDHN COc1ccc(CNCc2ccc(N(C)C)cc2C)cc1O ZINC000115629504 621119148 /nfs/dbraw/zinc/11/91/48/621119148.db2.gz AKSWUAPZTFUTIL-UHFFFAOYSA-N 0 3 300.402 3.065 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c([O-])c1 ZINC000115629261 621119181 /nfs/dbraw/zinc/11/91/81/621119181.db2.gz IBMOOLUZFMMQPA-UHFFFAOYSA-N 0 3 300.402 3.065 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000922959886 621136983 /nfs/dbraw/zinc/13/69/83/621136983.db2.gz HXXMJWYXJHPKHA-IBGZPJMESA-N 0 3 313.397 3.196 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000922963259 621140181 /nfs/dbraw/zinc/14/01/81/621140181.db2.gz LITOKTSHEGEFKP-IBGZPJMESA-N 0 3 313.397 3.195 20 10 DGCDHN O[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000922989164 621144497 /nfs/dbraw/zinc/14/44/97/621144497.db2.gz DFZZEXSCUMHXJS-QUCCMNQESA-N 0 3 309.409 3.150 20 10 DGCDHN CO[C@](C)([C@@H](C)NCc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000858177296 621161699 /nfs/dbraw/zinc/16/16/99/621161699.db2.gz OBSQOWVHXHHDSW-PIGZYNQJSA-N 0 3 312.404 3.324 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@@H](C2CC2)[C@H]2CCCCO2)cc1F ZINC000858186092 621162469 /nfs/dbraw/zinc/16/24/69/621162469.db2.gz QJBITCUVFHWASS-MSOLQXFVSA-N 0 3 324.415 3.468 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2COc3cccc(C)c3C2)c([O-])c1 ZINC000858215177 621165394 /nfs/dbraw/zinc/16/53/94/621165394.db2.gz BBPNEGPQKJDFGP-OAHLLOKOSA-N 0 3 313.397 3.193 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000858214197 621165405 /nfs/dbraw/zinc/16/54/05/621165405.db2.gz LXUNPZGDLJSDBL-JEBQAFNWSA-N 0 3 315.800 3.482 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000858214199 621165416 /nfs/dbraw/zinc/16/54/16/621165416.db2.gz LXUNPZGDLJSDBL-MORSLUCNSA-N 0 3 315.800 3.482 20 10 DGCDHN Cc1ccc([C@H](C)NCc2c(C(F)(F)F)cnn2C)c(O)c1 ZINC000858453712 621192945 /nfs/dbraw/zinc/19/29/45/621192945.db2.gz YGZIRFXVZGJXEA-JTQLQIEISA-N 0 3 313.323 3.304 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccccc1[O-] ZINC000858535985 621202586 /nfs/dbraw/zinc/20/25/86/621202586.db2.gz DAQBGLBZBJUGMK-RKVPGOIHSA-N 0 3 314.385 3.064 20 10 DGCDHN C[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccccc1[O-] ZINC000859189145 621258436 /nfs/dbraw/zinc/25/84/36/621258436.db2.gz NMIWNSRBUBTUOZ-UHFFFAOYSA-N 0 3 320.433 3.081 20 10 DGCDHN C[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccccc1[O-] ZINC000859189145 621258438 /nfs/dbraw/zinc/25/84/38/621258438.db2.gz NMIWNSRBUBTUOZ-UHFFFAOYSA-N 0 3 320.433 3.081 20 10 DGCDHN CC(C)(C)C1CN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000839143791 621340865 /nfs/dbraw/zinc/34/08/65/621340865.db2.gz CCVNJGSWHHLGCL-UHFFFAOYSA-N 0 3 306.425 3.140 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CC[C@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000754070158 621484811 /nfs/dbraw/zinc/48/48/11/621484811.db2.gz WVQKHSUGRJFTFD-MSOLQXFVSA-N 0 3 319.445 3.332 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CC[C@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000754070158 621484813 /nfs/dbraw/zinc/48/48/13/621484813.db2.gz WVQKHSUGRJFTFD-MSOLQXFVSA-N 0 3 319.445 3.332 20 10 DGCDHN Cc1nccn1CCCN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862367424 621580124 /nfs/dbraw/zinc/58/01/24/621580124.db2.gz IKERQOCUQTYSJY-UHFFFAOYSA-N 0 3 322.403 3.058 20 10 DGCDHN C[C@@H]1CC2(CN1Cc1cc(F)c(N(C)C)cc1F)CCOCC2 ZINC000862400023 621585081 /nfs/dbraw/zinc/58/50/81/621585081.db2.gz KRNXQDSTUCYBDP-CYBMUJFWSA-N 0 3 324.415 3.422 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1[O-] ZINC000756342778 621629208 /nfs/dbraw/zinc/62/92/08/621629208.db2.gz LDMAQFXVIHADTD-WMLDXEAASA-N 0 3 316.420 3.355 20 10 DGCDHN C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756362540 621631593 /nfs/dbraw/zinc/63/15/93/621631593.db2.gz JVCMWVUWMFLSKY-LLVKDONJSA-N 0 3 321.421 3.260 20 10 DGCDHN COc1ccccc1OCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000756374074 621632713 /nfs/dbraw/zinc/63/27/13/621632713.db2.gz XSPRNAOUJSAUDB-AWEZNQCLSA-N 0 3 301.386 3.439 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cn1 ZINC000756380246 621633371 /nfs/dbraw/zinc/63/33/71/621633371.db2.gz FQGRODMLDPITKY-GWCFXTLKSA-N 0 3 302.349 3.273 20 10 DGCDHN COc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)ccn1 ZINC000756402768 621635468 /nfs/dbraw/zinc/63/54/68/621635468.db2.gz YKGBQBNQSJKSHG-MFKMUULPSA-N 0 3 302.349 3.273 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)c2c1c(F)ccc2[O-] ZINC000756403752 621636085 /nfs/dbraw/zinc/63/60/85/621636085.db2.gz QYQKQIFGOPJZOY-HONMWMINSA-N 0 3 315.392 3.480 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N(C)C)c2c1c(F)ccc2[O-] ZINC000756411427 621636350 /nfs/dbraw/zinc/63/63/50/621636350.db2.gz PWYABHGDRARBPF-RISCZKNCSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N(C)C)c2c1c(F)ccc2[O-] ZINC000756411423 621636379 /nfs/dbraw/zinc/63/63/79/621636379.db2.gz PWYABHGDRARBPF-BXUZGUMPSA-N 0 3 315.392 3.330 20 10 DGCDHN CCN(CC)C(=O)CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756415883 621636802 /nfs/dbraw/zinc/63/68/02/621636802.db2.gz LTNUOLDRJOCPGU-JSGCOSHPSA-N 0 3 322.424 3.318 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756434032 621638149 /nfs/dbraw/zinc/63/81/49/621638149.db2.gz HTJUVRBXVIIDHA-UONOGXRCSA-N 0 3 321.421 3.073 20 10 DGCDHN COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756549521 621647020 /nfs/dbraw/zinc/64/70/20/621647020.db2.gz FYVQKLKICAKPCH-ZDUSSCGKSA-N 0 3 324.440 3.071 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)c2c1c(F)ccc2[O-] ZINC000756547329 621647288 /nfs/dbraw/zinc/64/72/88/621647288.db2.gz AVSUZJJKXFHLLN-NHYWBVRUSA-N 0 3 301.361 3.362 20 10 DGCDHN C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000756561607 621649183 /nfs/dbraw/zinc/64/91/83/621649183.db2.gz FQOAMSYGNNAMGC-ORAYPTAESA-N 0 3 315.388 3.406 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756586277 621651388 /nfs/dbraw/zinc/65/13/88/621651388.db2.gz QDPRQKHYKWTPDS-XPKDYRNWSA-N 0 3 315.388 3.273 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756606991 621652354 /nfs/dbraw/zinc/65/23/54/621652354.db2.gz LPTYKOQGTVYNRC-PWSUYJOCSA-N 0 3 309.381 3.401 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756632991 621654650 /nfs/dbraw/zinc/65/46/50/621654650.db2.gz GKGHMPKXOXYLFR-INWMFGNUSA-N 0 3 315.388 3.445 20 10 DGCDHN CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756708344 621659679 /nfs/dbraw/zinc/65/96/79/621659679.db2.gz OSYUBZVSQCOBSV-LBPRGKRZSA-N 0 3 324.396 3.191 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1[O-] ZINC000756763281 621662967 /nfs/dbraw/zinc/66/29/67/621662967.db2.gz WRSKDWFKQCFSLS-MLGOLLRUSA-N 0 3 320.408 3.116 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCOc2ncccc2F)c2c1c(F)ccc2[O-] ZINC000756761889 621662981 /nfs/dbraw/zinc/66/29/81/621662981.db2.gz RQZOUXDYTWPEIJ-GXFFZTMASA-N 0 3 320.339 3.282 20 10 DGCDHN CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000863543344 621682286 /nfs/dbraw/zinc/68/22/86/621682286.db2.gz MTOSVRNWGKWRGT-TVYUQYBPSA-N 0 3 302.340 3.202 20 10 DGCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)Cc2ccccc21 ZINC000758374492 621778457 /nfs/dbraw/zinc/77/84/57/621778457.db2.gz CNZJVAWISJZMLH-UHFFFAOYSA-N 0 3 311.381 3.414 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000758630753 621792703 /nfs/dbraw/zinc/79/27/03/621792703.db2.gz JBBMLEAWIWRWMQ-CQSZACIVSA-N 0 3 311.303 3.234 20 10 DGCDHN CN(C)c1ccc(CNCc2cc(F)ccc2N(C)C)cc1 ZINC000865404429 621910983 /nfs/dbraw/zinc/91/09/83/621910983.db2.gz KFMKGOLRBMEPLM-UHFFFAOYSA-N 0 3 301.409 3.248 20 10 DGCDHN COCCc1ncc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000865531060 621944979 /nfs/dbraw/zinc/94/49/79/621944979.db2.gz FRQIHWLZVRVVQX-ZDUSSCGKSA-N 0 3 319.474 3.249 20 10 DGCDHN COc1cc(Cl)cc(CN2C[C@H](C)S[C@@H](C)C2)c1O ZINC000761195882 621993081 /nfs/dbraw/zinc/99/30/81/621993081.db2.gz QIKCJRNHEDFSJU-UWVGGRQHSA-N 0 3 301.839 3.380 20 10 DGCDHN COCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CCCC1 ZINC000761192235 621993195 /nfs/dbraw/zinc/99/31/95/621993195.db2.gz IBOVRMNGSUBCFA-UHFFFAOYSA-N 0 3 313.825 3.445 20 10 DGCDHN COCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CCCC1 ZINC000761192235 621993197 /nfs/dbraw/zinc/99/31/97/621993197.db2.gz IBOVRMNGSUBCFA-UHFFFAOYSA-N 0 3 313.825 3.445 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c1[O-] ZINC000761206552 621994313 /nfs/dbraw/zinc/99/43/13/621994313.db2.gz KWCNJZHLKWFZFC-CZUORRHYSA-N 0 3 313.825 3.347 20 10 DGCDHN CN(C)c1ccc(CNCc2cc3c([nH]c2=O)CCCC3)cc1 ZINC000865878802 622014725 /nfs/dbraw/zinc/01/47/25/622014725.db2.gz BEAORMNJKXYTLX-UHFFFAOYSA-N 0 3 311.429 3.022 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c2c1c(F)ccc2[O-] ZINC000866447134 622120055 /nfs/dbraw/zinc/12/00/55/622120055.db2.gz ZDBLWWZOVMRZPC-BDLPKMALSA-N 0 3 303.377 3.093 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000866465208 622122698 /nfs/dbraw/zinc/12/26/98/622122698.db2.gz PQIQMOAMOVPCGM-COPLHBTASA-N 0 3 304.356 3.105 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccccc1[O-] ZINC000866533740 622133960 /nfs/dbraw/zinc/13/39/60/622133960.db2.gz VAHWVORBKSNPDO-GOEBONIOSA-N 0 3 305.418 3.019 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1[O-] ZINC000763477166 622147495 /nfs/dbraw/zinc/14/74/95/622147495.db2.gz DGVWCWVCBDBEFQ-AWEZNQCLSA-N 0 3 303.789 3.317 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nccc32)c2c1c(F)ccc2[O-] ZINC000866634498 622150899 /nfs/dbraw/zinc/15/08/99/622150899.db2.gz ROYHNIAZFLXLCE-RAIGVLPGSA-N 0 3 301.365 3.401 20 10 DGCDHN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000765359774 622260900 /nfs/dbraw/zinc/26/09/00/622260900.db2.gz YLHPMEQQQWLXMV-NVXWUHKLSA-N 0 3 323.440 3.209 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000767927125 622428828 /nfs/dbraw/zinc/42/88/28/622428828.db2.gz ORZQPXCFPLKZLX-HNNXBMFYSA-N 0 3 305.418 3.372 20 10 DGCDHN CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000789778211 625565614 /nfs/dbraw/zinc/56/56/14/625565614.db2.gz GNZDGCZSYGOTEJ-MSOLQXFVSA-N 0 3 303.377 3.379 20 10 DGCDHN CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)c1ccccc1 ZINC000789778213 625566265 /nfs/dbraw/zinc/56/62/65/625566265.db2.gz GNZDGCZSYGOTEJ-QZTJIDSGSA-N 0 3 303.377 3.379 20 10 DGCDHN COc1cccc(CN(C)Cc2ccc(OC)c(OC)c2)c1O ZINC000768168296 622443057 /nfs/dbraw/zinc/44/30/57/622443057.db2.gz IBZSMIJVZMQXKY-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN COc1cccc(O)c1CN1CCN(c2ccccc2C)CC1 ZINC000768192896 622444414 /nfs/dbraw/zinc/44/44/14/622444414.db2.gz VJHMEHNNUIGGKS-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccs1)[C@H](O)CO2 ZINC000768442099 622456042 /nfs/dbraw/zinc/45/60/42/622456042.db2.gz OUXNDXDYGKQGSR-UKRRQHHQSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccs1)[C@H](O)CO2 ZINC000768442099 622456043 /nfs/dbraw/zinc/45/60/43/622456043.db2.gz OUXNDXDYGKQGSR-UKRRQHHQSA-N 0 3 317.410 3.217 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@@H]2c2ccccn2)cc1OC ZINC000768443850 622456048 /nfs/dbraw/zinc/45/60/48/622456048.db2.gz VEJQRPGWTHXWPJ-OAHLLOKOSA-N 0 3 314.385 3.142 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768441430 622456150 /nfs/dbraw/zinc/45/61/50/622456150.db2.gz LNUKAKRRNSFNSB-AEFFLSMTSA-N 0 3 311.381 3.155 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768441430 622456151 /nfs/dbraw/zinc/45/61/51/622456151.db2.gz LNUKAKRRNSFNSB-AEFFLSMTSA-N 0 3 311.381 3.155 20 10 DGCDHN CC[N@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441152 622456434 /nfs/dbraw/zinc/45/64/34/622456434.db2.gz WHRLZWZBJQTWOU-GOSISDBHSA-N 0 3 313.397 3.149 20 10 DGCDHN CC[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441152 622456436 /nfs/dbraw/zinc/45/64/36/622456436.db2.gz WHRLZWZBJQTWOU-GOSISDBHSA-N 0 3 313.397 3.149 20 10 DGCDHN COc1ccccc1[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769472667 622531250 /nfs/dbraw/zinc/53/12/50/622531250.db2.gz HVXDVQMGZHQLCY-CQSZACIVSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccccc1[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769472667 622531253 /nfs/dbraw/zinc/53/12/53/622531253.db2.gz HVXDVQMGZHQLCY-CQSZACIVSA-N 0 3 313.397 3.399 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c([O-])c1 ZINC000769484028 622533114 /nfs/dbraw/zinc/53/31/14/622533114.db2.gz JKQGENZKEOTSKE-GOSISDBHSA-N 0 3 305.418 3.184 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c([O-])c1 ZINC000769484028 622533115 /nfs/dbraw/zinc/53/31/15/622533115.db2.gz JKQGENZKEOTSKE-GOSISDBHSA-N 0 3 305.418 3.184 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC(OCC3CC3)CC2)c([O-])c1 ZINC000769502058 622535001 /nfs/dbraw/zinc/53/50/01/622535001.db2.gz TVMCATKZXLQIJR-UHFFFAOYSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770319737 622621274 /nfs/dbraw/zinc/62/12/74/622621274.db2.gz BGCYEBNKSIWDPJ-CZUORRHYSA-N 0 3 317.385 3.082 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770319737 622621279 /nfs/dbraw/zinc/62/12/79/622621279.db2.gz BGCYEBNKSIWDPJ-CZUORRHYSA-N 0 3 317.385 3.082 20 10 DGCDHN Fc1cc(CN2CCCC3(CC3)C2)ccc1N1CCOCC1 ZINC000770674769 622659618 /nfs/dbraw/zinc/65/96/18/622659618.db2.gz MAYNUFBPVVPYIY-UHFFFAOYSA-N 0 3 304.409 3.038 20 10 DGCDHN CC[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000872110204 622812695 /nfs/dbraw/zinc/81/26/95/622812695.db2.gz WSAFDSKHWQCVLU-GFCCVEGCSA-N 0 3 313.323 3.348 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1[O-] ZINC000872111278 622813485 /nfs/dbraw/zinc/81/34/85/622813485.db2.gz CAXZNUJAUDJVSI-NEPJUHHUSA-N 0 3 311.809 3.348 20 10 DGCDHN CCCOc1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1C ZINC000873119010 623040071 /nfs/dbraw/zinc/04/00/71/623040071.db2.gz AYRSVWTZYJJQSA-UHFFFAOYSA-N 0 3 318.461 3.274 20 10 DGCDHN CCN(C)c1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000773757966 623069244 /nfs/dbraw/zinc/06/92/44/623069244.db2.gz SPOUCSZEJCBGNZ-HUUCEWRRSA-N 0 3 316.367 3.030 20 10 DGCDHN CCN(C)c1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000773757963 623069288 /nfs/dbraw/zinc/06/92/88/623069288.db2.gz SPOUCSZEJCBGNZ-CABCVRRESA-N 0 3 316.367 3.030 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1[O-] ZINC000775128395 623233944 /nfs/dbraw/zinc/23/39/44/623233944.db2.gz ASEAHWLHCRWWMA-ZNMIVQPWSA-N 0 3 324.424 3.409 20 10 DGCDHN CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000775412717 623272027 /nfs/dbraw/zinc/27/20/27/623272027.db2.gz OJMHSYKNWLHQFM-MRXNPFEDSA-N 0 3 316.357 3.420 20 10 DGCDHN CC[C@@H]([NH2+]CCCN(C)CCOC)c1cc(Cl)ccc1[O-] ZINC000775491624 623280162 /nfs/dbraw/zinc/28/01/62/623280162.db2.gz GFWBLTQLPXPSFH-OAHLLOKOSA-N 0 3 314.857 3.055 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]CCOC2CCC2)c1[O-] ZINC000776223129 623399787 /nfs/dbraw/zinc/39/97/87/623399787.db2.gz QVJZCVFJSXBLSZ-UHFFFAOYSA-N 0 3 314.223 3.122 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]CCc2cnc(C3CC3)nc2)c1[O-] ZINC000776252669 623401774 /nfs/dbraw/zinc/40/17/74/623401774.db2.gz FJZBEGFFQORHAK-UHFFFAOYSA-N 0 3 317.820 3.354 20 10 DGCDHN CCC1(CC)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000776771655 623461769 /nfs/dbraw/zinc/46/17/69/623461769.db2.gz LPHLURXJYXLNTM-INIZCTEOSA-N 0 3 305.418 3.220 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000777222783 623507067 /nfs/dbraw/zinc/50/70/67/623507067.db2.gz SRZJQZLHNQSSGR-GOSISDBHSA-N 0 3 320.396 3.098 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000777222783 623507070 /nfs/dbraw/zinc/50/70/70/623507070.db2.gz SRZJQZLHNQSSGR-GOSISDBHSA-N 0 3 320.396 3.098 20 10 DGCDHN C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccc(N(C)C)cc1 ZINC000777574056 623543424 /nfs/dbraw/zinc/54/34/24/623543424.db2.gz FSLGHETYPKCDKK-AWEZNQCLSA-N 0 3 321.428 3.389 20 10 DGCDHN C[C@H](NCc1nnc(-c2ccccc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000777574056 623543427 /nfs/dbraw/zinc/54/34/27/623543427.db2.gz FSLGHETYPKCDKK-AWEZNQCLSA-N 0 3 321.428 3.389 20 10 DGCDHN CC[C@@](C)(C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC000876531421 623635676 /nfs/dbraw/zinc/63/56/76/623635676.db2.gz FXPVABHACSTLKH-WMZOPIPTSA-N 0 3 307.434 3.188 20 10 DGCDHN CC[C@@](C)(C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)OC ZINC000876531421 623635678 /nfs/dbraw/zinc/63/56/78/623635678.db2.gz FXPVABHACSTLKH-WMZOPIPTSA-N 0 3 307.434 3.188 20 10 DGCDHN [O-]c1c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811589 623714248 /nfs/dbraw/zinc/71/42/48/623714248.db2.gz LNODRYMGUBTMHH-MLGOLLRUSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811589 623714250 /nfs/dbraw/zinc/71/42/50/623714250.db2.gz LNODRYMGUBTMHH-MLGOLLRUSA-N 0 3 322.399 3.119 20 10 DGCDHN COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000779106326 623730112 /nfs/dbraw/zinc/73/01/12/623730112.db2.gz NLQTVVRNXMLRAA-KPZWWZAWSA-N 0 3 319.376 3.406 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c([O-])c1 ZINC000876883815 623735283 /nfs/dbraw/zinc/73/52/83/623735283.db2.gz BZSCHRRDYAGAMD-QGZVFWFLSA-N 0 3 302.393 3.232 20 10 DGCDHN Cc1ccc(CN[C@@H](CN2CCCC2=O)c2ccccc2)c(O)c1 ZINC000876940285 623750697 /nfs/dbraw/zinc/75/06/97/623750697.db2.gz TVVWDAUSRVGPCV-SFHVURJKSA-N 0 3 324.424 3.154 20 10 DGCDHN COc1ccc(CNCc2c(C)cccc2O)c(OC)c1OC ZINC000876943697 623751615 /nfs/dbraw/zinc/75/16/15/623751615.db2.gz HLTOZMFYDDJWIJ-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN COc1ccc(CCC[NH2+]Cc2c(C)cccc2[O-])cc1OC ZINC000876985953 623759945 /nfs/dbraw/zinc/75/99/45/623759945.db2.gz XZCMDIQTTVNFES-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN CCOP(=O)(CCC[NH2+]Cc1ccccc1[O-])OCC ZINC000876996565 623762673 /nfs/dbraw/zinc/76/26/73/623762673.db2.gz ZVRZHWAEJHIOKG-UHFFFAOYSA-N 0 3 301.323 3.138 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c([O-])c1 ZINC000877005752 623764337 /nfs/dbraw/zinc/76/43/37/623764337.db2.gz ANZFSFGWDCMHCB-CYBMUJFWSA-N 0 3 310.397 3.070 20 10 DGCDHN Cc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000877018373 623767382 /nfs/dbraw/zinc/76/73/82/623767382.db2.gz VJTBQSOPIBESOX-UHFFFAOYSA-N 0 3 320.433 3.190 20 10 DGCDHN COc1ccccc1N1CC[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877083934 623787292 /nfs/dbraw/zinc/78/72/92/623787292.db2.gz IDDRNEXVCPIAEU-OAHLLOKOSA-N 0 3 312.413 3.078 20 10 DGCDHN COC(=O)c1csc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000877416456 623875005 /nfs/dbraw/zinc/87/50/05/623875005.db2.gz NAXGKIKQXHZNCQ-GFCCVEGCSA-N 0 3 318.442 3.452 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000877460262 623893022 /nfs/dbraw/zinc/89/30/22/623893022.db2.gz RZOICYULMLINGS-IUODEOHRSA-N 0 3 317.351 3.274 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000877542550 623934812 /nfs/dbraw/zinc/93/48/12/623934812.db2.gz TVZGTEALHSMEOK-OAHLLOKOSA-N 0 3 314.404 3.456 20 10 DGCDHN [O-]c1ccccc1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000780519584 623943191 /nfs/dbraw/zinc/94/31/91/623943191.db2.gz KDGKVEWEBWXUEQ-UHFFFAOYSA-N 0 3 311.360 3.066 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780788943 623985512 /nfs/dbraw/zinc/98/55/12/623985512.db2.gz DWHROFUTAQMBTE-OAHLLOKOSA-N 0 3 313.397 3.302 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780788943 623985515 /nfs/dbraw/zinc/98/55/15/623985515.db2.gz DWHROFUTAQMBTE-OAHLLOKOSA-N 0 3 313.397 3.302 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@@H]1C ZINC000877757056 624023252 /nfs/dbraw/zinc/02/32/52/624023252.db2.gz CZOWFVNGMCHQJQ-ZQDZILKHSA-N 0 3 305.418 3.411 20 10 DGCDHN Cc1cc(Br)c(O)c(CN2CCSCC2)c1 ZINC000781898235 624166692 /nfs/dbraw/zinc/16/66/92/624166692.db2.gz VYNVQTPLGRLBRU-UHFFFAOYSA-N 0 3 302.237 3.012 20 10 DGCDHN C[C@H]1OCC[C@@H]1C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000878240775 624224218 /nfs/dbraw/zinc/22/42/18/624224218.db2.gz KUELRRIMHBBOSV-HUUCEWRRSA-N 0 3 301.386 3.412 20 10 DGCDHN C[C@H]1OCC[C@@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000878240775 624224220 /nfs/dbraw/zinc/22/42/20/624224220.db2.gz KUELRRIMHBBOSV-HUUCEWRRSA-N 0 3 301.386 3.412 20 10 DGCDHN CC(C)[C@@H](O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000878241244 624225061 /nfs/dbraw/zinc/22/50/61/624225061.db2.gz SJOCPLQGBPZQIT-KRWDZBQOSA-N 0 3 303.402 3.394 20 10 DGCDHN COc1cc(C)cc(CN2Cc3ccccc3OC[C@@H]2C)c1O ZINC000782286040 624232890 /nfs/dbraw/zinc/23/28/90/624232890.db2.gz BPXGKVOGYFGZFT-AWEZNQCLSA-N 0 3 313.397 3.492 20 10 DGCDHN COCCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783503456 624359160 /nfs/dbraw/zinc/35/91/60/624359160.db2.gz DRTFGQIOHUSEOP-AWEZNQCLSA-N 0 3 301.386 3.268 20 10 DGCDHN C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000783504771 624360085 /nfs/dbraw/zinc/36/00/85/624360085.db2.gz KROLCOLFVPZQDF-GFCCVEGCSA-N 0 3 318.804 3.126 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC1CCC(C)CC1 ZINC000879649735 624622915 /nfs/dbraw/zinc/62/29/15/624622915.db2.gz TXJZJNACSMVBOR-PIOWNMBXSA-N 0 3 304.434 3.126 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000879651550 624624164 /nfs/dbraw/zinc/62/41/64/624624164.db2.gz ASEAHWLHCRWWMA-QLFBSQMISA-N 0 3 324.424 3.409 20 10 DGCDHN COC(=O)c1oc([C@H](C)N[C@@H](C)c2ccccc2O)cc1C ZINC000879650615 624624407 /nfs/dbraw/zinc/62/44/07/624624407.db2.gz JRJRIKJVAKZZKV-RYUDHWBXSA-N 0 3 303.358 3.492 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1[O-] ZINC000879651558 624624531 /nfs/dbraw/zinc/62/45/31/624624531.db2.gz AVFSRFOQBLUHCT-HNNXBMFYSA-N 0 3 324.424 3.234 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(Cl)cn1 ZINC000879650973 624624653 /nfs/dbraw/zinc/62/46/53/624624653.db2.gz AOTGOOWKNDMBML-QWRGUYRKSA-N 0 3 319.792 3.118 20 10 DGCDHN C[C@H]([NH2+]CCC(=O)NCC1CCCCC1)c1ccccc1[O-] ZINC000879651198 624624685 /nfs/dbraw/zinc/62/46/85/624624685.db2.gz MGBZXVVMSONLHT-AWEZNQCLSA-N 0 3 304.434 3.129 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000879653992 624626215 /nfs/dbraw/zinc/62/62/15/624626215.db2.gz ZXCQMSJMXKTYFX-XGUBFFRZSA-N 0 3 304.434 3.221 20 10 DGCDHN C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000879652389 624626540 /nfs/dbraw/zinc/62/65/40/624626540.db2.gz ZZKLODPQNGQYRZ-LBPRGKRZSA-N 0 3 302.330 3.030 20 10 DGCDHN Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000786578733 624925404 /nfs/dbraw/zinc/92/54/04/624925404.db2.gz IDBHCXQQYAVWAI-KRWDZBQOSA-N 0 3 319.832 3.356 20 10 DGCDHN C[C@H](CNCc1c([O-])ccc(Cl)c1F)C[NH+]1CCCCC1 ZINC000790947910 625721037 /nfs/dbraw/zinc/72/10/37/625721037.db2.gz CQIDJRUTHBELAK-GFCCVEGCSA-N 0 3 314.832 3.396 20 10 DGCDHN CCN(C)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000790992262 625733272 /nfs/dbraw/zinc/73/32/72/625733272.db2.gz WBJAIFOXLWVIHT-HNNXBMFYSA-N 0 3 312.461 3.455 20 10 DGCDHN CC[C@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1ccc(C)cc1[O-] ZINC000797094799 626112704 /nfs/dbraw/zinc/11/27/04/626112704.db2.gz YOUMGCIRPSOVDL-INIZCTEOSA-N 0 3 320.433 3.220 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2[O-])C1 ZINC000798003965 626188792 /nfs/dbraw/zinc/18/87/92/626188792.db2.gz UJCLRCSGLWNJLQ-YCPHGPKFSA-N 0 3 305.418 3.473 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1cnc(OC)nc1C ZINC000801596335 626411215 /nfs/dbraw/zinc/41/12/15/626411215.db2.gz VNQSAMSHDQXFHL-UHFFFAOYSA-N 0 3 315.417 3.302 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1cnc(OC)nc1C ZINC000801596335 626411217 /nfs/dbraw/zinc/41/12/17/626411217.db2.gz VNQSAMSHDQXFHL-UHFFFAOYSA-N 0 3 315.417 3.302 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CC2)C(=O)O1 ZINC000801595192 626411336 /nfs/dbraw/zinc/41/13/36/626411336.db2.gz IXYMDULUAXZSLA-HNNXBMFYSA-N 0 3 303.402 3.090 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CC2)C(=O)O1 ZINC000801595192 626411337 /nfs/dbraw/zinc/41/13/37/626411337.db2.gz IXYMDULUAXZSLA-HNNXBMFYSA-N 0 3 303.402 3.090 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCCCC1 ZINC000801598631 626411909 /nfs/dbraw/zinc/41/19/09/626411909.db2.gz DHIVXQMAWYXCEU-MRXNPFEDSA-N 0 3 318.461 3.395 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCCCC1 ZINC000801598631 626411910 /nfs/dbraw/zinc/41/19/10/626411910.db2.gz DHIVXQMAWYXCEU-MRXNPFEDSA-N 0 3 318.461 3.395 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000883263427 626628882 /nfs/dbraw/zinc/62/88/82/626628882.db2.gz SKCYKFLMAYHCRJ-HZPDHXFCSA-N 0 3 319.445 3.327 20 10 DGCDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([O-])cs1)[NH+](C)C ZINC000807491711 626759042 /nfs/dbraw/zinc/75/90/42/626759042.db2.gz ADSRFQUZTUABJE-LRDDRELGSA-N 0 3 318.442 3.183 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)c1[O-] ZINC000808677519 626848291 /nfs/dbraw/zinc/84/82/91/626848291.db2.gz BGBMILPXQHZWCH-CYBMUJFWSA-N 0 3 324.852 3.407 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)c1[O-] ZINC000808683410 626849547 /nfs/dbraw/zinc/84/95/47/626849547.db2.gz FPUCSVFKHVHZOW-VXGBXAGGSA-N 0 3 305.809 3.426 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1[O-] ZINC000808706554 626852001 /nfs/dbraw/zinc/85/20/01/626852001.db2.gz MRSOKLBOHNJPGW-VDYMJLGFSA-N 0 3 322.836 3.014 20 10 DGCDHN COCCn1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808717458 626853124 /nfs/dbraw/zinc/85/31/24/626853124.db2.gz IYMTZADZSKSUNG-GFCCVEGCSA-N 0 3 323.824 3.048 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2C)c([O-])c1 ZINC000809658043 626933639 /nfs/dbraw/zinc/93/36/39/626933639.db2.gz BGQQJOSIYPOOFF-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN CCCN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809700397 626938840 /nfs/dbraw/zinc/93/88/40/626938840.db2.gz GEJGBZWSOAVCOZ-UHFFFAOYSA-N 0 3 314.832 3.493 20 10 DGCDHN CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809749138 626946388 /nfs/dbraw/zinc/94/63/88/626946388.db2.gz KJQMFWSSYPCRKG-LBPRGKRZSA-N 0 3 309.381 3.085 20 10 DGCDHN CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809749138 626946391 /nfs/dbraw/zinc/94/63/91/626946391.db2.gz KJQMFWSSYPCRKG-LBPRGKRZSA-N 0 3 309.381 3.085 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC000809758692 626948277 /nfs/dbraw/zinc/94/82/77/626948277.db2.gz TXVYTQMQRBFDGZ-JKSUJKDBSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([O-])c1 ZINC000809758692 626948281 /nfs/dbraw/zinc/94/82/81/626948281.db2.gz TXVYTQMQRBFDGZ-JKSUJKDBSA-N 0 3 319.445 3.430 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1ccccc1[O-] ZINC000886771135 627202957 /nfs/dbraw/zinc/20/29/57/627202957.db2.gz CRBNQHLPGZWRBU-PYOGLGTISA-N 0 3 305.418 3.015 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512617 627285190 /nfs/dbraw/zinc/28/51/90/627285190.db2.gz HEYJKAJGRRSXCB-MRXNPFEDSA-N 0 3 324.424 3.038 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512617 627285193 /nfs/dbraw/zinc/28/51/93/627285193.db2.gz HEYJKAJGRRSXCB-MRXNPFEDSA-N 0 3 324.424 3.038 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CCCCF)c1[O-] ZINC000812773760 627418953 /nfs/dbraw/zinc/41/89/53/627418953.db2.gz QMIDHDHSWYBGDJ-UHFFFAOYSA-N 0 3 306.175 3.003 20 10 DGCDHN c1nnc([C@H](NCc2ccc3c(c2)CCO3)C2CCCCC2)[nH]1 ZINC000813857496 627516062 /nfs/dbraw/zinc/51/60/62/627516062.db2.gz VSCFXQSMXBURJP-QGZVFWFLSA-N 0 3 312.417 3.151 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c([O-])c1 ZINC000814178420 627547414 /nfs/dbraw/zinc/54/74/14/627547414.db2.gz PFEQURBYZAFBTR-MRXNPFEDSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c([O-])c1 ZINC000814178420 627547415 /nfs/dbraw/zinc/54/74/15/627547415.db2.gz PFEQURBYZAFBTR-MRXNPFEDSA-N 0 3 305.418 3.039 20 10 DGCDHN CN1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815576536 627686468 /nfs/dbraw/zinc/68/64/68/627686468.db2.gz SHYCMXCRKFBHHF-MJGOQNOKSA-N 0 3 310.441 3.360 20 10 DGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(CO)CC1 ZINC000815585411 627687991 /nfs/dbraw/zinc/68/79/91/627687991.db2.gz HCRNRJYMQRPVBS-GOSISDBHSA-N 0 3 311.425 3.428 20 10 DGCDHN CC(C)[NH+](CCNCc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816528686 627802116 /nfs/dbraw/zinc/80/21/16/627802116.db2.gz NKXCMZXPWCXCCP-UHFFFAOYSA-N 0 3 302.821 3.393 20 10 DGCDHN CCN1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816543519 627805040 /nfs/dbraw/zinc/80/50/40/627805040.db2.gz DMYALFKQYSXFOH-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN CC(C)N1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816548366 627805544 /nfs/dbraw/zinc/80/55/44/627805544.db2.gz FLWQCTCVCVGBEW-LBPRGKRZSA-N 0 3 314.832 3.395 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccccc2-c2ccnn2C)c([O-])c1 ZINC000816597461 627812733 /nfs/dbraw/zinc/81/27/33/627812733.db2.gz SFWZGSRFLSKSKC-UHFFFAOYSA-N 0 3 323.396 3.091 20 10 DGCDHN CC[C@@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccc(C)cc1[O-] ZINC000817587286 627926614 /nfs/dbraw/zinc/92/66/14/627926614.db2.gz DKVOSHCBOAAZSB-GDBMZVCRSA-N 0 3 307.434 3.325 20 10 DGCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cnccc2N)cc1F ZINC000817903341 627957347 /nfs/dbraw/zinc/95/73/47/627957347.db2.gz NPEJWSRMRJFGOL-ZDUSSCGKSA-N 0 3 316.424 3.330 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCCCN1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817950307 627972763 /nfs/dbraw/zinc/97/27/63/627972763.db2.gz SJVPYWCPUKNSDU-ZJUUUORDSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817950307 627972766 /nfs/dbraw/zinc/97/27/66/627972766.db2.gz SJVPYWCPUKNSDU-ZJUUUORDSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000817954048 627973585 /nfs/dbraw/zinc/97/35/85/627973585.db2.gz AQXNPEUONVZDKW-UGFHNGPFSA-N 0 3 300.377 3.369 20 10 DGCDHN CC(C)C[C@H](CN)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000817958982 627974882 /nfs/dbraw/zinc/97/48/82/627974882.db2.gz NXWHBGMXNOMAQD-ZYHUDNBSSA-N 0 3 315.255 3.179 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000817969928 627978514 /nfs/dbraw/zinc/97/85/14/627978514.db2.gz IIMHSOVRTIMHRF-NRUUGDAUSA-N 0 3 302.340 3.060 20 10 DGCDHN C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984318 627983475 /nfs/dbraw/zinc/98/34/75/627983475.db2.gz QJUSUAYEBBCWJN-NXEZZACHSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCCCNC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984318 627983480 /nfs/dbraw/zinc/98/34/80/627983480.db2.gz QJUSUAYEBBCWJN-NXEZZACHSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1cc(F)ccc1[O-] ZINC000926930098 627983975 /nfs/dbraw/zinc/98/39/75/627983975.db2.gz FWDGUOSZHRXBML-JTQLQIEISA-N 0 3 306.406 3.370 20 10 DGCDHN CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)n1 ZINC000927046737 628002216 /nfs/dbraw/zinc/00/22/16/628002216.db2.gz BJYKZSYCEGCEQA-LOWVWBTDSA-N 0 3 319.380 3.464 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOC2CCOCC2)c1[O-] ZINC000927077041 628008926 /nfs/dbraw/zinc/00/89/26/628008926.db2.gz QTVIUKIENCCSRR-GFCCVEGCSA-N 0 3 313.825 3.200 20 10 DGCDHN C[C@@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000927142361 628025732 /nfs/dbraw/zinc/02/57/32/628025732.db2.gz KPTVTJZVUPHJNH-XMCHAPAWSA-N 0 3 310.441 3.452 20 10 DGCDHN CCOc1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000822515435 628460320 /nfs/dbraw/zinc/46/03/20/628460320.db2.gz ASJCITGQSSKMOB-LJQANCHMSA-N 0 3 315.413 3.130 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000822515435 628460323 /nfs/dbraw/zinc/46/03/23/628460323.db2.gz ASJCITGQSSKMOB-LJQANCHMSA-N 0 3 315.413 3.130 20 10 DGCDHN Cc1cnccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823729393 628591177 /nfs/dbraw/zinc/59/11/77/628591177.db2.gz FMIJDTWJORZIPJ-INIZCTEOSA-N 0 3 311.429 3.077 20 10 DGCDHN Fc1cc(CNCCCSc2nccs2)c(F)cn1 ZINC000823938366 628611787 /nfs/dbraw/zinc/61/17/87/628611787.db2.gz XWWKSCLUJXKRBV-UHFFFAOYSA-N 0 3 301.387 3.088 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]CC2(CF)CCOCC2)c1[O-] ZINC000824795435 628694665 /nfs/dbraw/zinc/69/46/65/628694665.db2.gz ZGEHPYVFJCOTGV-UHFFFAOYSA-N 0 3 301.789 3.210 20 10 DGCDHN Cc1ccncc1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824909539 628704880 /nfs/dbraw/zinc/70/48/80/628704880.db2.gz OQOMUGOERSEILL-UHFFFAOYSA-N 0 3 321.218 3.456 20 10 DGCDHN CCOCc1cc(CNCc2cnccc2C)ccc1OC ZINC000824909511 628705130 /nfs/dbraw/zinc/70/51/30/628705130.db2.gz NSNWWIAQZPVCEX-UHFFFAOYSA-N 0 3 300.402 3.225 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1ccccc1[O-] ZINC000825045747 628720447 /nfs/dbraw/zinc/72/04/47/628720447.db2.gz KPLOMUULWROGLE-QIIPPGSGSA-N 0 3 315.417 3.087 20 10 DGCDHN CCOc1ccc(O)c(CN2CCc3cc(OC)ccc3C2)c1 ZINC000827304817 628947299 /nfs/dbraw/zinc/94/72/99/628947299.db2.gz GRFXJDNGROGPCP-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000827377066 628954063 /nfs/dbraw/zinc/95/40/63/628954063.db2.gz OOTWAYUAZDXYFA-WMLDXEAASA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000827377066 628954065 /nfs/dbraw/zinc/95/40/65/628954065.db2.gz OOTWAYUAZDXYFA-WMLDXEAASA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c1[O-] ZINC000827515449 628967099 /nfs/dbraw/zinc/96/70/99/628967099.db2.gz HVBYKTYMDAICIW-NSHDSACASA-N 0 3 305.752 3.435 20 10 DGCDHN COc1cccc(O)c1CN[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000827526141 628967948 /nfs/dbraw/zinc/96/79/48/628967948.db2.gz HKXBEHODUBRKQR-RBUKOAKNSA-N 0 3 315.413 3.249 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000827526141 628967952 /nfs/dbraw/zinc/96/79/52/628967952.db2.gz HKXBEHODUBRKQR-RBUKOAKNSA-N 0 3 315.413 3.249 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1[O-] ZINC000827856801 628997579 /nfs/dbraw/zinc/99/75/79/628997579.db2.gz SAIALNOWIMLRSX-BZNIZROVSA-N 0 3 321.804 3.266 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)c1[O-] ZINC000827856803 628997776 /nfs/dbraw/zinc/99/77/76/628997776.db2.gz SAIALNOWIMLRSX-ZBEGNZNMSA-N 0 3 321.804 3.266 20 10 DGCDHN Cc1cc(CN(CC(N)=O)C(C)(C)C)ccc1N1CCCCC1 ZINC000828090856 629021938 /nfs/dbraw/zinc/02/19/38/629021938.db2.gz HEELEIXNDXLONX-UHFFFAOYSA-N 0 3 317.477 3.071 20 10 DGCDHN C[C@H](c1ccccc1)N(CC[S@](C)=O)Cc1ccccc1O ZINC000828564202 629068293 /nfs/dbraw/zinc/06/82/93/629068293.db2.gz NNOQTXXVHWDKCI-QRQCRPRQSA-N 0 3 317.454 3.334 20 10 DGCDHN Cc1cc(CN(C)[C@H](C)C[S@@](C)=O)ccc1N1CCCCC1 ZINC000828785150 629092122 /nfs/dbraw/zinc/09/21/22/629092122.db2.gz CLMKNTQHTFUVHB-OPAMFIHVSA-N 0 3 322.518 3.184 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cccc(Cn3ccnc3)c1)CC2 ZINC000834507709 629718937 /nfs/dbraw/zinc/71/89/37/629718937.db2.gz CNKCXWSMMFXVIL-GOSISDBHSA-N 0 3 319.408 3.414 20 10 DGCDHN COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834602812 629739097 /nfs/dbraw/zinc/73/90/97/629739097.db2.gz VDAVMMYTIMYCQM-CXAGYDPISA-N 0 3 313.397 3.445 20 10 DGCDHN CN(C)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)Cc2ccccc2C1 ZINC000834602079 629739177 /nfs/dbraw/zinc/73/91/77/629739177.db2.gz ISLDIVLSSROHDG-GOSISDBHSA-N 0 3 322.452 3.068 20 10 DGCDHN Cn1c2ccc(F)cc2nc1CN[C@H]1CCc2cccc(O)c21 ZINC000834654546 629748526 /nfs/dbraw/zinc/74/85/26/629748526.db2.gz OZIQRULYOBEMNS-ZDUSSCGKSA-N 0 3 311.360 3.195 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)CC2 ZINC000834668804 629752551 /nfs/dbraw/zinc/75/25/51/629752551.db2.gz OBXMJKXZIBPUNL-GDBMZVCRSA-N 0 3 303.789 3.356 20 10 DGCDHN Cc1cnc(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cn1 ZINC000834908688 629806143 /nfs/dbraw/zinc/80/61/43/629806143.db2.gz LGYCYWDQSMMROV-HZMBPMFUSA-N 0 3 301.365 3.010 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c([O-])c1 ZINC000834910964 629806527 /nfs/dbraw/zinc/80/65/27/629806527.db2.gz HADDUTGDVOWPSY-ZQIUZPCESA-N 0 3 315.417 3.005 20 10 DGCDHN COc1ccc(CNC/C=C/c2ccc(N(C)C)cc2)cc1O ZINC000835037701 629831064 /nfs/dbraw/zinc/83/10/64/629831064.db2.gz SDYBMIQKWVVACS-SNAWJCMRSA-N 0 3 312.413 3.270 20 10 DGCDHN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 ZINC000835040385 629831959 /nfs/dbraw/zinc/83/19/59/629831959.db2.gz OWCRUTFBDFXWAJ-WAVCKPEOSA-N 0 3 323.440 3.383 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000835040908 629832021 /nfs/dbraw/zinc/83/20/21/629832021.db2.gz VYXJHSXHJURGKF-GNAXCBTBSA-N 0 3 314.404 3.228 20 10 DGCDHN Cc1ccccc1[C@H](CO)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835042082 629832770 /nfs/dbraw/zinc/83/27/70/629832770.db2.gz GPWCQXMRAYUWFH-IEJURRBGSA-N 0 3 310.441 3.397 20 10 DGCDHN C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1ccccc1[O-] ZINC000840862785 630369066 /nfs/dbraw/zinc/36/90/66/630369066.db2.gz IEXGTHVADSGDEB-ZFWWWQNUSA-N 0 3 314.385 3.163 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000840895035 630373926 /nfs/dbraw/zinc/37/39/26/630373926.db2.gz UXDAOZGPAHJPGV-GJZGRUSLSA-N 0 3 300.450 3.076 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000840895421 630374415 /nfs/dbraw/zinc/37/44/15/630374415.db2.gz LRNBEAAHXAZSIL-JJRVBVJISA-N 0 3 303.446 3.473 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000840913868 630377245 /nfs/dbraw/zinc/37/72/45/630377245.db2.gz KFDZLVATXKNRLC-CQSZACIVSA-N 0 3 308.853 3.414 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN1CC=C(c2ccnn2C)CC1 ZINC000840947796 630382448 /nfs/dbraw/zinc/38/24/48/630382448.db2.gz GBTFSLUVHIGVPJ-UHFFFAOYSA-N 0 3 310.445 3.084 20 10 DGCDHN Cc1cc([O-])c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(Cl)c1 ZINC000840948012 630382617 /nfs/dbraw/zinc/38/26/17/630382617.db2.gz JIXYPYLQJQYIJB-UONOGXRCSA-N 0 3 308.853 3.413 20 10 DGCDHN CCN(CC)c1ccc(CN2CCCc3c(cnn3C)C2)cc1 ZINC000840954964 630384165 /nfs/dbraw/zinc/38/41/65/630384165.db2.gz OAZBFMNQTWCRED-UHFFFAOYSA-N 0 3 312.461 3.215 20 10 DGCDHN Cn1ncc2c1CCCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC000840953892 630384258 /nfs/dbraw/zinc/38/42/58/630384258.db2.gz CCFIVZLBVKOATM-UHFFFAOYSA-N 0 3 324.472 3.359 20 10 DGCDHN C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000841296684 630424447 /nfs/dbraw/zinc/42/44/47/630424447.db2.gz XEKVRXUIDHCAAQ-DYVFJYSZSA-N 0 3 312.417 3.082 20 10 DGCDHN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000841296685 630424536 /nfs/dbraw/zinc/42/45/36/630424536.db2.gz XEKVRXUIDHCAAQ-GUYCJALGSA-N 0 3 312.417 3.082 20 10 DGCDHN COc1cc(Cl)cc(CN[C@@H]2COCc3ccccc32)c1O ZINC000841891771 630473612 /nfs/dbraw/zinc/47/36/12/630473612.db2.gz UOFNLSXWOIMLIA-OAHLLOKOSA-N 0 3 319.788 3.415 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](CO)CC2CCCCC2)c([O-])c1 ZINC000841893082 630474324 /nfs/dbraw/zinc/47/43/24/630474324.db2.gz DSELCACQYFMVHE-INIZCTEOSA-N 0 3 307.434 3.212 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000842729138 630568809 /nfs/dbraw/zinc/56/88/09/630568809.db2.gz GZQYWHSPQPRTIT-AWEZNQCLSA-N 0 3 301.411 3.425 20 10 DGCDHN CCOCc1cc(CNCc2ccc(CO)cc2)ccc1OC ZINC000842732558 630569172 /nfs/dbraw/zinc/56/91/72/630569172.db2.gz RJHSVDNZYKVZPF-UHFFFAOYSA-N 0 3 315.413 3.014 20 10 DGCDHN C[NH2+]CCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000843057119 630609575 /nfs/dbraw/zinc/60/95/75/630609575.db2.gz BWADMGFSBIGAPN-UHFFFAOYSA-N 0 3 300.805 3.006 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000843417078 630654326 /nfs/dbraw/zinc/65/43/26/630654326.db2.gz OWYDAMCQMQWXSM-DOTOQJQBSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000843417078 630654328 /nfs/dbraw/zinc/65/43/28/630654328.db2.gz OWYDAMCQMQWXSM-DOTOQJQBSA-N 0 3 305.418 3.182 20 10 DGCDHN CCCC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000843426141 630657075 /nfs/dbraw/zinc/65/70/75/630657075.db2.gz OKPVTTXWTXFMMO-OAHLLOKOSA-N 0 3 301.814 3.085 20 10 DGCDHN CCOc1ncccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846139042 631211346 /nfs/dbraw/zinc/21/13/46/631211346.db2.gz OQTQUFDIZZVJKF-GFCCVEGCSA-N 0 3 302.374 3.045 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CC1CCCC1)[C@H](O)CO2 ZINC000848505341 631671130 /nfs/dbraw/zinc/67/11/30/631671130.db2.gz IWISAMYOHHWDMJ-CRAIPNDOSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CC1CCCC1)[C@H](O)CO2 ZINC000848505341 631671135 /nfs/dbraw/zinc/67/11/35/631671135.db2.gz IWISAMYOHHWDMJ-CRAIPNDOSA-N 0 3 317.429 3.363 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1[O-] ZINC000848526954 631678253 /nfs/dbraw/zinc/67/82/53/631678253.db2.gz MXEVIKPKYFJZPP-GUBZILKMSA-N 0 3 314.223 3.470 20 10 DGCDHN CCc1cccc(CN2CCC[C@@H](OCC(F)(F)F)C2)c1O ZINC000848882620 631769422 /nfs/dbraw/zinc/76/94/22/631769422.db2.gz VZLCDWQNYNHVLU-CQSZACIVSA-N 0 3 317.351 3.498 20 10 DGCDHN CCc1cccc(CNCC(=O)Nc2c(C)cccc2C)c1O ZINC000848899166 631778973 /nfs/dbraw/zinc/77/89/73/631778973.db2.gz DGHZKXLWBBXICD-UHFFFAOYSA-N 0 3 312.413 3.300 20 10 DGCDHN CCc1cccc(CN[C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000848920064 631787754 /nfs/dbraw/zinc/78/77/54/631787754.db2.gz WSOFSLPQOUEKCD-PXAZEXFGSA-N 0 3 303.377 3.305 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c([O-])c1 ZINC000848924975 631789730 /nfs/dbraw/zinc/78/97/30/631789730.db2.gz JFGUJHPQPSLOTN-QGZVFWFLSA-N 0 3 305.418 3.324 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c([O-])c1 ZINC000848924975 631789736 /nfs/dbraw/zinc/78/97/36/631789736.db2.gz JFGUJHPQPSLOTN-QGZVFWFLSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1ccc(O)c(CN2C[C@@H](C)OC3(CCCCC3)C2)c1 ZINC000848929303 631792632 /nfs/dbraw/zinc/79/26/32/631792632.db2.gz VOAYPKHNWNUSPB-CQSZACIVSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1cc(CNCc2cc(C)nn2C)c(O)c(C(C)(C)C)c1 ZINC000850287551 632104413 /nfs/dbraw/zinc/10/44/13/632104413.db2.gz ADUNNEWDMTZDBA-UHFFFAOYSA-N 0 3 317.433 3.030 20 10 DGCDHN Cc1nc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)[nH]c1C ZINC000850326754 632114233 /nfs/dbraw/zinc/11/42/33/632114233.db2.gz CRKPTSDXWDTHRL-ZDUSSCGKSA-N 0 3 300.450 3.122 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000850355882 632123984 /nfs/dbraw/zinc/12/39/84/632123984.db2.gz MGKKNLZTBRKAGF-AWEZNQCLSA-N 0 3 303.324 3.372 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000850382345 632133922 /nfs/dbraw/zinc/13/39/22/632133922.db2.gz SGIHSRZVCUKVDD-LBPRGKRZSA-N 0 3 314.223 3.442 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@@]2(C)CC2(C)C)c1[O-] ZINC000850400128 632139904 /nfs/dbraw/zinc/13/99/04/632139904.db2.gz ZVHAMVZLMXLWSX-AWEZNQCLSA-N 0 3 314.223 3.442 20 10 DGCDHN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000850415374 632145854 /nfs/dbraw/zinc/14/58/54/632145854.db2.gz VBQXOXKNWPVVPL-QZTJIDSGSA-N 0 3 324.424 3.223 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1ccccc1[O-] ZINC000850484024 632165974 /nfs/dbraw/zinc/16/59/74/632165974.db2.gz ASNYBICVLXWGEX-SFHVURJKSA-N 0 3 312.413 3.269 20 10 DGCDHN C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(F)ccc1[O-] ZINC000850485359 632166863 /nfs/dbraw/zinc/16/68/63/632166863.db2.gz GHNUQGZIPGADPL-MRVPVSSYSA-N 0 3 315.270 3.191 20 10 DGCDHN COC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccc(OC)c1 ZINC000850515176 632176461 /nfs/dbraw/zinc/17/64/61/632176461.db2.gz UBCCMHJETZWKAD-CXAGYDPISA-N 0 3 301.386 3.439 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)c2c1c(F)ccc2[O-] ZINC000850535600 632185341 /nfs/dbraw/zinc/18/53/41/632185341.db2.gz XRRHKDLLUYEDOC-QMTHXVAHSA-N 0 3 315.392 3.480 20 10 DGCDHN C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1[O-] ZINC000850536647 632186140 /nfs/dbraw/zinc/18/61/40/632186140.db2.gz IPGLNOJVUOKXQZ-QMTHXVAHSA-N 0 3 305.324 3.325 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000850557944 632192749 /nfs/dbraw/zinc/19/27/49/632192749.db2.gz ORZLOYSSXWENSJ-HOCLYGCPSA-N 0 3 318.461 3.388 20 10 DGCDHN CC1(C)OC[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000851771619 632489435 /nfs/dbraw/zinc/48/94/35/632489435.db2.gz KJGXLNLSNBPEHX-MRXNPFEDSA-N 0 3 305.418 3.288 20 10 DGCDHN CC1(C)OC[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000851771619 632489439 /nfs/dbraw/zinc/48/94/39/632489439.db2.gz KJGXLNLSNBPEHX-MRXNPFEDSA-N 0 3 305.418 3.288 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000851792101 632495024 /nfs/dbraw/zinc/49/50/24/632495024.db2.gz KTMVVQTVYVHIRJ-DJIMGWMZSA-N 0 3 316.445 3.052 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000851792101 632495029 /nfs/dbraw/zinc/49/50/29/632495029.db2.gz KTMVVQTVYVHIRJ-DJIMGWMZSA-N 0 3 316.445 3.052 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1[O-] ZINC000186134807 660269907 /nfs/dbraw/zinc/26/99/07/660269907.db2.gz OLDZWANXHZWIQG-YOEHRIQHSA-N 0 3 310.397 3.238 20 10 DGCDHN C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000701914417 660691532 /nfs/dbraw/zinc/69/15/32/660691532.db2.gz FPVZLLLBCOQPSA-TZMCWYRMSA-N 0 3 320.433 3.225 20 10 DGCDHN CCC[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OCC ZINC000705354922 660837457 /nfs/dbraw/zinc/83/74/57/660837457.db2.gz YVKBHLOLYLVFCD-CYBMUJFWSA-N 0 3 301.814 3.349 20 10 DGCDHN COC[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792824627 660987136 /nfs/dbraw/zinc/98/71/36/660987136.db2.gz OEPAQNBSMWMCJF-GFCCVEGCSA-N 0 3 316.367 3.240 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2CCc3ccc(OC)cc3C2)c([O-])c1 ZINC000793386560 661029177 /nfs/dbraw/zinc/02/91/77/661029177.db2.gz WNDOJXCLHBVKJF-INIZCTEOSA-N 0 3 313.397 3.057 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)c([O-])c1 ZINC000793386411 661029335 /nfs/dbraw/zinc/02/93/35/661029335.db2.gz PGEMPDZYXXCZDP-OAHLLOKOSA-N 0 3 313.397 3.057 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c([O-])c1 ZINC000793389094 661029343 /nfs/dbraw/zinc/02/93/43/661029343.db2.gz VMJIBHYLUNJJHU-UHFFFAOYSA-N 0 3 322.748 3.252 20 10 DGCDHN COc1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c(O)c1 ZINC000793389094 661029345 /nfs/dbraw/zinc/02/93/45/661029345.db2.gz VMJIBHYLUNJJHU-UHFFFAOYSA-N 0 3 322.748 3.252 20 10 DGCDHN CC[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(C)cc1[O-] ZINC000794797867 661105716 /nfs/dbraw/zinc/10/57/16/661105716.db2.gz QNCIAEFSXDGYHU-QGZVFWFLSA-N 0 3 316.445 3.142 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794810553 661106525 /nfs/dbraw/zinc/10/65/25/661106525.db2.gz LUVWSAZWJZNEKO-YOEHRIQHSA-N 0 3 303.402 3.186 20 10 DGCDHN C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000794833472 661107989 /nfs/dbraw/zinc/10/79/89/661107989.db2.gz DZOSDGKQYPQXKG-XGNXJENSSA-N 0 3 310.388 3.338 20 10 DGCDHN C[C@H](NC1CC([NH+]2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000794833472 661107990 /nfs/dbraw/zinc/10/79/90/661107990.db2.gz DZOSDGKQYPQXKG-XGNXJENSSA-N 0 3 310.388 3.338 20 10 DGCDHN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)CNC2 ZINC000261825681 655675388 /nfs/dbraw/zinc/67/53/88/655675388.db2.gz HQQPRGLJGJZCLP-UHFFFAOYSA-N 0 3 307.397 3.142 20 10 DGCDHN CC1=C(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000796018152 661185701 /nfs/dbraw/zinc/18/57/01/661185701.db2.gz OIXZNGNCSRORJA-UHFFFAOYSA-N 0 3 304.409 3.204 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000715146623 661208583 /nfs/dbraw/zinc/20/85/83/661208583.db2.gz OKWIASASWIMLBA-MCIONIFRSA-N 0 3 320.433 3.346 20 10 DGCDHN c1cnn(-c2ccccc2CNCc2ccc3c(c2)CCO3)c1 ZINC000236600071 655995470 /nfs/dbraw/zinc/99/54/70/655995470.db2.gz KOHRUNROIZPQJS-UHFFFAOYSA-N 0 3 305.381 3.097 20 10 DGCDHN CO[C@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000179749487 656087439 /nfs/dbraw/zinc/08/74/39/656087439.db2.gz STKGHUWMGOQUKX-ZDUSSCGKSA-N 0 3 314.223 3.074 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cccc3c2OCCO3)c1 ZINC000182412005 656105785 /nfs/dbraw/zinc/10/57/85/656105785.db2.gz IHHLZPWEPCKXQW-LBPRGKRZSA-N 0 3 315.369 3.023 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1[O-] ZINC000186134789 656130634 /nfs/dbraw/zinc/13/06/34/656130634.db2.gz OLDZWANXHZWIQG-RHSMWYFYSA-N 0 3 310.397 3.238 20 10 DGCDHN CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2ccccc2[O-])CC1 ZINC000189999424 656158682 /nfs/dbraw/zinc/15/86/82/656158682.db2.gz IEWLMGLTPDEOCL-UHFFFAOYSA-N 0 3 320.433 3.271 20 10 DGCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1(CC)CC ZINC000236975752 657028134 /nfs/dbraw/zinc/02/81/34/657028134.db2.gz SQAQWNGWIIWHPU-SJORKVTESA-N 0 3 307.434 3.474 20 10 DGCDHN CCCN(CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccccc1O ZINC000303129820 657666870 /nfs/dbraw/zinc/66/68/70/657666870.db2.gz BSGGWCYJNCWPKT-INIZCTEOSA-N 0 3 320.477 3.497 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321328301 658165051 /nfs/dbraw/zinc/16/50/51/658165051.db2.gz JBNHCRWPDACELV-NXEZZACHSA-N 0 3 315.348 3.113 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCS2)c1[O-] ZINC000228677837 659203162 /nfs/dbraw/zinc/20/31/62/659203162.db2.gz FXTVVIYKBGMGTK-GFCCVEGCSA-N 0 3 301.839 3.430 20 10 DGCDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000180024791 659949551 /nfs/dbraw/zinc/94/95/51/659949551.db2.gz CKOVFPBNSALMLV-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000180024791 659949553 /nfs/dbraw/zinc/94/95/53/659949553.db2.gz CKOVFPBNSALMLV-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN CCN(CC[NH2+][C@H](C)c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000183484693 660117883 /nfs/dbraw/zinc/11/78/83/660117883.db2.gz XCBMHTLYKQOAMK-CYBMUJFWSA-N 0 3 308.422 3.300 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](OC)C3)c2c1 ZINC000076266333 661976296 /nfs/dbraw/zinc/97/62/96/661976296.db2.gz OTTGFRXTDBBSQE-OAHLLOKOSA-N 0 3 301.386 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](OC)C3)c2c1 ZINC000076266333 661976299 /nfs/dbraw/zinc/97/62/99/661976299.db2.gz OTTGFRXTDBBSQE-OAHLLOKOSA-N 0 3 301.386 3.165 20 10 DGCDHN CCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OC ZINC000091974668 662325979 /nfs/dbraw/zinc/32/59/79/662325979.db2.gz XEUIDGAZFSDXBQ-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OC ZINC000091974668 662325981 /nfs/dbraw/zinc/32/59/81/662325981.db2.gz XEUIDGAZFSDXBQ-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN COc1ccc(N2CCCN(Cc3scnc3C)CC2)cc1 ZINC000092380839 662329980 /nfs/dbraw/zinc/32/99/80/662329980.db2.gz QSJYISRNTPFKMZ-UHFFFAOYSA-N 0 3 317.458 3.172 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000248587922 662354541 /nfs/dbraw/zinc/35/45/41/662354541.db2.gz YKEAGHYJPYNDDQ-ZOBUZTSGSA-N 0 3 320.477 3.321 20 10 DGCDHN CN(CCC[NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)OC(C)(C)C ZINC000381774188 685159547 /nfs/dbraw/zinc/15/95/47/685159547.db2.gz UVQDKOLNMMMCPP-CQSZACIVSA-N 0 3 320.433 3.226 20 10 DGCDHN CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000387691115 685185109 /nfs/dbraw/zinc/18/51/09/685185109.db2.gz VFJGMFUHHPDQMK-CYBMUJFWSA-N 0 3 308.422 3.127 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2cnn3ccccc23)cc1 ZINC001620932525 1192628804 /nfs/dbraw/zinc/62/88/04/1192628804.db2.gz MYMISCWIQRJVRJ-WAYWQWQTSA-N 0 3 306.413 3.203 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC001331056753 1178125711 /nfs/dbraw/zinc/12/57/11/1178125711.db2.gz ADQPAAQMBWRKAZ-HKUYNNGSSA-N 0 3 314.404 3.375 20 10 DGCDHN CCOc1ccc(N2CCN(CCC[C@@H]3CCOC3)CC2)cc1 ZINC001345764474 1179603327 /nfs/dbraw/zinc/60/33/27/1179603327.db2.gz UWIHHYDAYVSUKN-QGZVFWFLSA-N 0 3 318.461 3.024 20 10 DGCDHN CO[C@@]1(C(F)(F)F)CCN(Cc2cc(C)c(C)cc2O)C1 ZINC001353197878 1180491757 /nfs/dbraw/zinc/49/17/57/1180491757.db2.gz ATUPIIKJMKDRID-AWEZNQCLSA-N 0 3 303.324 3.162 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001474596800 1181593914 /nfs/dbraw/zinc/59/39/14/1181593914.db2.gz BKNSWJLEPNJMRY-KGLIPLIRSA-N 0 3 322.449 3.482 20 10 DGCDHN [O-]c1cccc(F)c1C[NH2+]Cc1ccc(Br)o1 ZINC001462597185 1182974043 /nfs/dbraw/zinc/97/40/43/1182974043.db2.gz XYFMDHOJSIPIKG-UHFFFAOYSA-N 0 3 300.127 3.177 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)c([O-])c1 ZINC001462670070 1182983221 /nfs/dbraw/zinc/98/32/21/1182983221.db2.gz VGOQFCLRSPZJTI-KRWDZBQOSA-N 0 3 307.434 3.346 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)c([O-])c1 ZINC001462670070 1182983225 /nfs/dbraw/zinc/98/32/25/1182983225.db2.gz VGOQFCLRSPZJTI-KRWDZBQOSA-N 0 3 307.434 3.346 20 10 DGCDHN COC[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C(C)C ZINC001473262354 1183737109 /nfs/dbraw/zinc/73/71/09/1183737109.db2.gz WSWTUWVQTAUJFO-QZTJIDSGSA-N 0 3 321.461 3.292 20 10 DGCDHN COC[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C(C)C ZINC001473262354 1183737112 /nfs/dbraw/zinc/73/71/12/1183737112.db2.gz WSWTUWVQTAUJFO-QZTJIDSGSA-N 0 3 321.461 3.292 20 10 DGCDHN CN(C)c1cc(F)c(CNCCOc2ccc(F)cc2)cc1F ZINC001473930007 1183831330 /nfs/dbraw/zinc/83/13/30/1183831330.db2.gz XAKTYJYGRXMGSP-UHFFFAOYSA-N 0 3 324.346 3.339 20 10 DGCDHN CO[C@H](CNCc1cc(F)c(N(C)C)cc1F)CC(C)C ZINC001474185695 1183878924 /nfs/dbraw/zinc/87/89/24/1183878924.db2.gz XPGPZWAIZMCUGO-ZDUSSCGKSA-N 0 3 300.393 3.182 20 10 DGCDHN C[C@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)c1ccccc1[O-] ZINC001474253128 1183890702 /nfs/dbraw/zinc/89/07/02/1183890702.db2.gz KQKPLHRDMJYKBC-ZDUSSCGKSA-N 0 3 308.385 3.039 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@@H](CCO)c2ccccc2)c([O-])c1 ZINC001474326051 1183905124 /nfs/dbraw/zinc/90/51/24/1183905124.db2.gz SZKCYMCESWTWPZ-SFHVURJKSA-N 0 3 315.413 3.265 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c([O-])c1 ZINC001474326051 1183905126 /nfs/dbraw/zinc/90/51/26/1183905126.db2.gz SZKCYMCESWTWPZ-SFHVURJKSA-N 0 3 315.413 3.265 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c([O-])c1 ZINC001474631086 1183952344 /nfs/dbraw/zinc/95/23/44/1183952344.db2.gz WTJPEHKDOUNBID-KXBFYZLASA-N 0 3 319.445 3.490 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c([O-])c1 ZINC001474631086 1183952347 /nfs/dbraw/zinc/95/23/47/1183952347.db2.gz WTJPEHKDOUNBID-KXBFYZLASA-N 0 3 319.445 3.490 20 10 DGCDHN COc1ccc(CNC2(CNC(=O)CC(C)(C)C)CC2)cc1C ZINC001499161275 1185621772 /nfs/dbraw/zinc/62/17/72/1185621772.db2.gz MQTXGHYMIZLWIH-UHFFFAOYSA-N 0 3 318.461 3.178 20 10 DGCDHN Cc1c2ccccc2n(C)c1CNCc1ccc2nonc2c1 ZINC001560612305 1189347896 /nfs/dbraw/zinc/34/78/96/1189347896.db2.gz HACFKBHSTCAJLF-UHFFFAOYSA-N 0 3 306.369 3.313 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC001560697041 1189362397 /nfs/dbraw/zinc/36/23/97/1189362397.db2.gz KWQGQTBLLKKOPK-CQSZACIVSA-N 0 3 315.413 3.478 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC001560697041 1189362400 /nfs/dbraw/zinc/36/24/00/1189362400.db2.gz KWQGQTBLLKKOPK-CQSZACIVSA-N 0 3 315.413 3.478 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC001560749250 1189374618 /nfs/dbraw/zinc/37/46/18/1189374618.db2.gz DHFXHZRXYPNANJ-ZFWWWQNUSA-N 0 3 306.425 3.274 20 10 DGCDHN Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(F)ccc3[O-])C2)cc1 ZINC001621490377 1193849387 /nfs/dbraw/zinc/84/93/87/1193849387.db2.gz ZIOGWIPGMUDCNL-SFHVURJKSA-N 0 3 314.404 3.204 20 10 DGCDHN CN(C)c1cc(F)c(CN(C)[C@H](CO)CC(C)(C)C)cc1F ZINC001652474877 1195604217 /nfs/dbraw/zinc/60/42/17/1195604217.db2.gz PSUIIZROBCXTTF-ZDUSSCGKSA-N 0 3 314.420 3.260 20 10 DGCDHN COc1cc(C)c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([O-])c1 ZINC001652885318 1195666436 /nfs/dbraw/zinc/66/64/36/1195666436.db2.gz JUCKDPSLIMNHHJ-KDURUIRLSA-N 0 3 317.429 3.102 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([O-])c1 ZINC001652885318 1195666442 /nfs/dbraw/zinc/66/64/42/1195666442.db2.gz JUCKDPSLIMNHHJ-KDURUIRLSA-N 0 3 317.429 3.102 20 10 DGCDHN C[C@H](NCc1sc(N(C)C)nc1Cl)c1ccccc1O ZINC001652969126 1195675722 /nfs/dbraw/zinc/67/57/22/1195675722.db2.gz SQWXYDGYKDTUJQ-VIFPVBQESA-N 0 3 311.838 3.419 20 10 DGCDHN COC(=O)c1ccc(CN[C@@H](C)c2ccccc2O)c(F)c1 ZINC001654532167 1195813760 /nfs/dbraw/zinc/81/37/60/1195813760.db2.gz JKRSXYZGTYPMFZ-NSHDSACASA-N 0 3 303.333 3.169 20 10 DGCDHN CN1CCCc2cc(CNCc3cccc4c3OCC4)ccc21 ZINC001655446511 1195918285 /nfs/dbraw/zinc/91/82/85/1195918285.db2.gz XKWLZZXJCIXNRV-UHFFFAOYSA-N 0 3 308.425 3.294 20 10 DGCDHN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC001657228496 1196120655 /nfs/dbraw/zinc/12/06/55/1196120655.db2.gz AKKNGVHGXDRTMM-GUYCJALGSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC001657228496 1196120657 /nfs/dbraw/zinc/12/06/57/1196120657.db2.gz AKKNGVHGXDRTMM-GUYCJALGSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC001657228497 1196121126 /nfs/dbraw/zinc/12/11/26/1196121126.db2.gz AKKNGVHGXDRTMM-SUMWQHHRSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC001657228497 1196121127 /nfs/dbraw/zinc/12/11/27/1196121127.db2.gz AKKNGVHGXDRTMM-SUMWQHHRSA-N 0 3 320.864 3.494 20 10 DGCDHN CC(C)c1ccc(O)c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC001657921109 1196193738 /nfs/dbraw/zinc/19/37/38/1196193738.db2.gz PDBDKSHZDRKEGH-HNAYVOBHSA-N 0 3 319.445 3.286 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2cccc3c2OCC3)cc1 ZINC001658052063 1196206855 /nfs/dbraw/zinc/20/68/55/1196206855.db2.gz ZLZWXUUSBMZEQX-SNAWJCMRSA-N 0 3 308.425 3.491 20 10 DGCDHN C[N@@H+]1CCN(Cc2cc(F)c(F)cc2[O-])c2ccccc2C1 ZINC001658173424 1196220875 /nfs/dbraw/zinc/22/08/75/1196220875.db2.gz GTCIMAPEULOTTB-UHFFFAOYSA-N 0 3 304.340 3.122 20 10 DGCDHN C[N@H+]1CCN(Cc2cc(F)c(F)cc2[O-])c2ccccc2C1 ZINC001658173424 1196220880 /nfs/dbraw/zinc/22/08/80/1196220880.db2.gz GTCIMAPEULOTTB-UHFFFAOYSA-N 0 3 304.340 3.122 20 10 DGCDHN CN1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC001658777794 1196299582 /nfs/dbraw/zinc/29/95/82/1196299582.db2.gz IZBMUWBGERSACK-BHYNMZESSA-N 0 3 315.244 3.129 20 10 DGCDHN CCN1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)[C@H](C)C1 ZINC001659766204 1196413214 /nfs/dbraw/zinc/41/32/14/1196413214.db2.gz PMISHDASNQHBDK-CQSZACIVSA-N 0 3 320.477 3.224 20 10 DGCDHN COC(=O)c1ccc(F)c(CN[C@@H](C)c2ccccc2O)c1 ZINC001659815666 1196417614 /nfs/dbraw/zinc/41/76/14/1196417614.db2.gz PZAFOABXKSMLHU-NSHDSACASA-N 0 3 303.333 3.169 20 10 DGCDHN COc1ccc(N2CCN(CCC3CCC3)CC2)c(OC)c1 ZINC001659861071 1196423033 /nfs/dbraw/zinc/42/30/33/1196423033.db2.gz JZVFPGGLFATMBZ-UHFFFAOYSA-N 0 3 304.434 3.016 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c([O-])c1 ZINC001660648544 1196508046 /nfs/dbraw/zinc/50/80/46/1196508046.db2.gz HREKYUBKUFQQBY-AWEZNQCLSA-N 0 3 303.324 3.484 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c([O-])c1 ZINC001660648544 1196508049 /nfs/dbraw/zinc/50/80/49/1196508049.db2.gz HREKYUBKUFQQBY-AWEZNQCLSA-N 0 3 303.324 3.484 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@H]2CC(=O)N(CC)C2)cc1 ZINC001662503058 1196726017 /nfs/dbraw/zinc/72/60/17/1196726017.db2.gz RCMPXVNLHCFHIT-KRWDZBQOSA-N 0 3 317.477 3.023 20 10 DGCDHN CCCOc1ccc(CN[C@@H]2CCCC23OCCO3)cc1C ZINC001662967099 1196778104 /nfs/dbraw/zinc/77/81/04/1196778104.db2.gz YSUCTTUOBGUCQL-QGZVFWFLSA-N 0 3 305.418 3.169 20 10 DGCDHN CC/C=C(/C)C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001668731771 1197427478 /nfs/dbraw/zinc/42/74/78/1197427478.db2.gz LPKDKTAEECZWBW-RRLYPUMESA-N 0 3 316.445 3.122 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+](C)C2CCOCC2)c1[O-] ZINC000124556146 1200355360 /nfs/dbraw/zinc/35/53/60/1200355360.db2.gz FRRHPUCIKDHVAI-UHFFFAOYSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+](C)C2CCOCC2)c1[O-] ZINC000124556146 1200355367 /nfs/dbraw/zinc/35/53/67/1200355367.db2.gz FRRHPUCIKDHVAI-UHFFFAOYSA-N 0 3 314.223 3.074 20 10 DGCDHN COc1ccc(CNC/C=C\CNC(=O)CC(C)(C)C)cc1C ZINC001699233123 1201766047 /nfs/dbraw/zinc/76/60/47/1201766047.db2.gz PDLLVWXGKIXIDL-SREVYHEPSA-N 0 3 318.461 3.202 20 10 DGCDHN Nc1ccc2c(c1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC000144069773 1202566206 /nfs/dbraw/zinc/56/62/06/1202566206.db2.gz FNQZESHTULINGA-UHFFFAOYSA-N 0 3 307.441 3.427 20 10 DGCDHN CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000226650971 1202589479 /nfs/dbraw/zinc/58/94/79/1202589479.db2.gz CPNYZUDXNIGWEV-HNNXBMFYSA-N 0 3 320.433 3.271 20 10 DGCDHN CC/C(C)=C/C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001716291169 1203457625 /nfs/dbraw/zinc/45/76/25/1203457625.db2.gz LBIHXQIDHVPDQY-SIKOUFMJSA-N 0 3 316.445 3.122 20 10 DGCDHN CN1CCCC[C@H]1c1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001169993275 1081804924 /nfs/dbraw/zinc/80/49/24/1081804924.db2.gz QVZSRFPHNYPYDR-HNNXBMFYSA-N 0 3 313.401 3.262 20 10 DGCDHN CN(C)c1ccc(CN2CC(N3CCCCC3)C2)c(Cl)c1 ZINC001140924046 1083186643 /nfs/dbraw/zinc/18/66/43/1083186643.db2.gz BQNOHBWYBIENFJ-UHFFFAOYSA-N 0 3 307.869 3.076 20 10 DGCDHN C[N@H+](CCc1cccc2c1OC(F)(F)O2)Cc1ccccc1[O-] ZINC001167733678 1083311753 /nfs/dbraw/zinc/31/17/53/1083311753.db2.gz AZOQIKGZWZGYRU-UHFFFAOYSA-N 0 3 321.323 3.388 20 10 DGCDHN C[N@@H+](CCc1cccc2c1OC(F)(F)O2)Cc1ccccc1[O-] ZINC001167733678 1083311757 /nfs/dbraw/zinc/31/17/57/1083311757.db2.gz AZOQIKGZWZGYRU-UHFFFAOYSA-N 0 3 321.323 3.388 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001183686845 1083997982 /nfs/dbraw/zinc/99/79/82/1083997982.db2.gz TWFNBRGYZMVICX-BGYRXZFFSA-N 0 3 310.441 3.201 20 10 DGCDHN Cc1cc(C[N@@H+](CCCO)C(C)C)c([O-])cc1Br ZINC001250129113 1084021253 /nfs/dbraw/zinc/02/12/53/1084021253.db2.gz XWSYTFFSMJVMFT-UHFFFAOYSA-N 0 3 316.239 3.056 20 10 DGCDHN Cc1cc(C[N@H+](CCCO)C(C)C)c([O-])cc1Br ZINC001250129113 1084021264 /nfs/dbraw/zinc/02/12/64/1084021264.db2.gz XWSYTFFSMJVMFT-UHFFFAOYSA-N 0 3 316.239 3.056 20 10 DGCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/C(C)(C)C)N(C)C)cc1 ZINC001158718422 1087989023 /nfs/dbraw/zinc/98/90/23/1087989023.db2.gz XRRZHGJDXWOLKH-GZKZCVOOSA-N 0 3 317.477 3.074 20 10 DGCDHN CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272619350 1088324637 /nfs/dbraw/zinc/32/46/37/1088324637.db2.gz VBMAPABMYPHLPN-BEFAXECRSA-N 0 3 316.445 3.148 20 10 DGCDHN CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272619350 1088324650 /nfs/dbraw/zinc/32/46/50/1088324650.db2.gz VBMAPABMYPHLPN-BEFAXECRSA-N 0 3 316.445 3.148 20 10 DGCDHN CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214131 1088710116 /nfs/dbraw/zinc/71/01/16/1088710116.db2.gz QJICGBZQINHIKP-STQMWFEESA-N 0 3 303.233 3.401 20 10 DGCDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550275 1090753503 /nfs/dbraw/zinc/75/35/03/1090753503.db2.gz PJFRYYKYKQIYKM-AWEZNQCLSA-N 0 3 320.433 3.081 20 10 DGCDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550275 1090753505 /nfs/dbraw/zinc/75/35/05/1090753505.db2.gz PJFRYYKYKQIYKM-AWEZNQCLSA-N 0 3 320.433 3.081 20 10 DGCDHN CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])O1 ZINC001203552770 1090754591 /nfs/dbraw/zinc/75/45/91/1090754591.db2.gz SOJAFIGSGVHWPN-ZHALLVOQSA-N 0 3 319.445 3.187 20 10 DGCDHN CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])O1 ZINC001203552770 1090754594 /nfs/dbraw/zinc/75/45/94/1090754594.db2.gz SOJAFIGSGVHWPN-ZHALLVOQSA-N 0 3 319.445 3.187 20 10 DGCDHN COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC001203556453 1090755721 /nfs/dbraw/zinc/75/57/21/1090755721.db2.gz QKMXIVHSUWDOMI-GOSISDBHSA-N 0 3 313.397 3.444 20 10 DGCDHN COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC001203556453 1090755723 /nfs/dbraw/zinc/75/57/23/1090755723.db2.gz QKMXIVHSUWDOMI-GOSISDBHSA-N 0 3 313.397 3.444 20 10 DGCDHN C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1 ZINC001203562340 1090757746 /nfs/dbraw/zinc/75/77/46/1090757746.db2.gz IQBKWPHCJYTLJY-HNNXBMFYSA-N 0 3 314.404 3.410 20 10 DGCDHN CC[N@H+](CCc1ccc(OC)cc1)Cc1cccc(OC)c1[O-] ZINC001203599479 1090764453 /nfs/dbraw/zinc/76/44/53/1090764453.db2.gz FTYRRUDKZFAJOS-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN CC[N@@H+](CCc1ccc(OC)cc1)Cc1cccc(OC)c1[O-] ZINC001203599479 1090764457 /nfs/dbraw/zinc/76/44/57/1090764457.db2.gz FTYRRUDKZFAJOS-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN COc1cccc(CC[N@H+](C)Cc2ccc(OC)cc2[O-])c1 ZINC001203628076 1090769043 /nfs/dbraw/zinc/76/90/43/1090769043.db2.gz YPZIIBFCEDUREA-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COc1cccc(CC[N@@H+](C)Cc2ccc(OC)cc2[O-])c1 ZINC001203628076 1090769047 /nfs/dbraw/zinc/76/90/47/1090769047.db2.gz YPZIIBFCEDUREA-UHFFFAOYSA-N 0 3 301.386 3.084 20 10 DGCDHN COc1cccc([C@@H]2CC[N@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203634502 1090769965 /nfs/dbraw/zinc/76/99/65/1090769965.db2.gz JHJKZXKBLHDFTK-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203634502 1090769970 /nfs/dbraw/zinc/76/99/70/1090769970.db2.gz JHJKZXKBLHDFTK-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c([O-])c1 ZINC001203634597 1090770171 /nfs/dbraw/zinc/77/01/71/1090770171.db2.gz NAJOXRMKNNNOPE-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN COc1ccc(O)c(CN2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001203670757 1090776846 /nfs/dbraw/zinc/77/68/46/1090776846.db2.gz ZPNWMEPSVFXCQM-ZDUSSCGKSA-N 0 3 307.287 3.125 20 10 DGCDHN CCc1nnc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)o1 ZINC001203936268 1090844589 /nfs/dbraw/zinc/84/45/89/1090844589.db2.gz BWDANEIFYRVYTK-UHFFFAOYSA-N 0 3 314.433 3.078 20 10 DGCDHN CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1[O-] ZINC001204125549 1090905351 /nfs/dbraw/zinc/90/53/51/1090905351.db2.gz QDAZSLATXGWOKX-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN CC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1[O-] ZINC001204125549 1090905357 /nfs/dbraw/zinc/90/53/57/1090905357.db2.gz QDAZSLATXGWOKX-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204274995 1090938240 /nfs/dbraw/zinc/93/82/40/1090938240.db2.gz KKRBMFZBRRZBHN-GOSISDBHSA-N 0 3 313.397 3.450 20 10 DGCDHN Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204274995 1090938242 /nfs/dbraw/zinc/93/82/42/1090938242.db2.gz KKRBMFZBRRZBHN-GOSISDBHSA-N 0 3 313.397 3.450 20 10 DGCDHN COc1cc(CN(C)CCc2ccccc2Cl)cc(O)c1O ZINC001204345765 1090952543 /nfs/dbraw/zinc/95/25/43/1090952543.db2.gz WZOVYSFZRBRZSR-UHFFFAOYSA-N 0 3 321.804 3.434 20 10 DGCDHN CN1CCCc2cc(CN3CCc4cc(O)ccc4C3)ccc21 ZINC001138355060 1091150459 /nfs/dbraw/zinc/15/04/59/1091150459.db2.gz FEDMGUXMWBCWHF-UHFFFAOYSA-N 0 3 308.425 3.333 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](OC)C2)c(OC)c1 ZINC001138388507 1091163785 /nfs/dbraw/zinc/16/37/85/1091163785.db2.gz WFDXXXKNEGIUHD-QGZVFWFLSA-N 0 3 306.450 3.152 20 10 DGCDHN CCN(CC)c1ccc(CN2CCN(CC)[C@H](C)C2)c(OC)c1 ZINC001138392085 1091165798 /nfs/dbraw/zinc/16/57/98/1091165798.db2.gz PDSOPBWOLNXVFD-MRXNPFEDSA-N 0 3 319.493 3.067 20 10 DGCDHN C[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]1C[NH3+] ZINC001205314552 1091180638 /nfs/dbraw/zinc/18/06/38/1091180638.db2.gz BRPWNWKAFLBRRZ-ONGXEEELSA-N 0 3 303.233 3.116 20 10 DGCDHN Cc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1N(C)C ZINC001139670402 1091638140 /nfs/dbraw/zinc/63/81/40/1091638140.db2.gz MHBQOSLGZLFFBD-UHFFFAOYSA-N 0 3 323.484 3.379 20 10 DGCDHN C[C@H]1CC[C@H](C[NH3+])CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001206810559 1091749863 /nfs/dbraw/zinc/74/98/63/1091749863.db2.gz NYFFQMSYQRGLKF-VHSXEESVSA-N 0 3 303.233 3.258 20 10 DGCDHN Cc1ccc(C2(O)CC[NH+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC001140053090 1091750389 /nfs/dbraw/zinc/75/03/89/1091750389.db2.gz OHMRKSYWBDDACL-UHFFFAOYSA-N 0 3 315.388 3.323 20 10 DGCDHN COc1ccccc1O[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055643 1091751337 /nfs/dbraw/zinc/75/13/37/1091751337.db2.gz NWPOXUKQTKHBJI-HNNXBMFYSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055643 1091751343 /nfs/dbraw/zinc/75/13/43/1091751343.db2.gz NWPOXUKQTKHBJI-HNNXBMFYSA-N 0 3 317.360 3.193 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001140056026 1091751545 /nfs/dbraw/zinc/75/15/45/1091751545.db2.gz DXUPETVGPKDKGW-UHFFFAOYSA-N 0 3 320.339 3.109 20 10 DGCDHN Cc1cccnc1O[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060495 1091754976 /nfs/dbraw/zinc/75/49/76/1091754976.db2.gz YMZWJDJXUPEVSR-INIZCTEOSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140060495 1091754982 /nfs/dbraw/zinc/75/49/82/1091754982.db2.gz YMZWJDJXUPEVSR-INIZCTEOSA-N 0 3 316.376 3.278 20 10 DGCDHN CCN1CCN(c2ccc(CN3CCCC(F)(F)C3)cc2)CC1 ZINC001140299591 1091819104 /nfs/dbraw/zinc/81/91/04/1091819104.db2.gz AZYPFAPWIXUAII-UHFFFAOYSA-N 0 3 323.431 3.060 20 10 DGCDHN Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(C)cc3[O-])C2)cc1 ZINC001207232875 1091893818 /nfs/dbraw/zinc/89/38/18/1091893818.db2.gz ARISSVFRXWYDKU-IBGZPJMESA-N 0 3 310.441 3.373 20 10 DGCDHN COC(CN(Cc1ccccc1)Cc1cc(C)ccc1O)OC ZINC001140617549 1091933577 /nfs/dbraw/zinc/93/35/77/1091933577.db2.gz TUHVGOWEBJGHCI-UHFFFAOYSA-N 0 3 315.413 3.322 20 10 DGCDHN Fc1cc(N2CCOCC2)ccc1CN1CCCCC12CC2 ZINC001140663519 1091950942 /nfs/dbraw/zinc/95/09/42/1091950942.db2.gz HUMWKRCBFKOTPF-UHFFFAOYSA-N 0 3 304.409 3.181 20 10 DGCDHN Cc1c(O)ccc(CN2CCOC[C@@H]2C2CCCCC2)c1O ZINC001140749705 1091984988 /nfs/dbraw/zinc/98/49/88/1091984988.db2.gz JYAYDVBVOCMNOL-MRXNPFEDSA-N 0 3 305.418 3.187 20 10 DGCDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924708 1092065198 /nfs/dbraw/zinc/06/51/98/1092065198.db2.gz NIYHPGHEZGKGBW-QGZVFWFLSA-N 0 3 324.852 3.181 20 10 DGCDHN CN1CCOc2cc(CN3CCC(F)(F)C(C)(C)C3)ccc21 ZINC001141140075 1092149174 /nfs/dbraw/zinc/14/91/74/1092149174.db2.gz IBAZTOUQRZWBOC-UHFFFAOYSA-N 0 3 310.388 3.382 20 10 DGCDHN CC(C)(C)c1cccc(CN2CCC(F)(F)[C@@H](CO)C2)c1O ZINC001143103486 1092614856 /nfs/dbraw/zinc/61/48/56/1092614856.db2.gz DQVLTDSCHGDPLL-CYBMUJFWSA-N 0 3 313.388 3.139 20 10 DGCDHN CNc1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)ccn1 ZINC001216333122 1094176735 /nfs/dbraw/zinc/17/67/35/1094176735.db2.gz HRPNKWPUWPRGJP-STMMAZFDSA-N 0 3 319.372 3.391 20 10 DGCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2CCCOCC2)C1 ZINC001170828101 1094593055 /nfs/dbraw/zinc/59/30/55/1094593055.db2.gz SWGMSEIZSXAPNS-AWEZNQCLSA-N 0 3 314.429 3.114 20 10 DGCDHN C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1[O-] ZINC000315868147 1095140632 /nfs/dbraw/zinc/14/06/32/1095140632.db2.gz NAJRFSGWANYCKT-ZDUSSCGKSA-N 0 3 304.434 3.080 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171103854 1095375004 /nfs/dbraw/zinc/37/50/04/1095375004.db2.gz CVNBCNAUNPSAEA-HNNXBMFYSA-N 0 3 303.789 3.398 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)c1[O-] ZINC001116583656 1095607442 /nfs/dbraw/zinc/60/74/42/1095607442.db2.gz NDZMJHLLLGQKAG-KBPBESRZSA-N 0 3 312.841 3.017 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1c[nH]c3nc(Cl)ccc13)CC2 ZINC001144416593 1095649041 /nfs/dbraw/zinc/64/90/41/1095649041.db2.gz NJOGDHROWIGQEW-UHFFFAOYSA-N 0 3 313.788 3.480 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1c[nH]c3nc(Cl)ccc13)CC2 ZINC001144416593 1095649046 /nfs/dbraw/zinc/64/90/46/1095649046.db2.gz NJOGDHROWIGQEW-UHFFFAOYSA-N 0 3 313.788 3.480 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC001137760340 1095733495 /nfs/dbraw/zinc/73/34/95/1095733495.db2.gz JUYBWRZIKUHAPG-UHFFFAOYSA-N 0 3 305.381 3.136 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC001137760340 1095733509 /nfs/dbraw/zinc/73/35/09/1095733509.db2.gz JUYBWRZIKUHAPG-UHFFFAOYSA-N 0 3 305.381 3.136 20 10 DGCDHN CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC001277441201 1097434178 /nfs/dbraw/zinc/43/41/78/1097434178.db2.gz IWKZYPLKORAKKM-MJGOQNOKSA-N 0 3 324.424 3.044 20 10 DGCDHN CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC001277441201 1097434181 /nfs/dbraw/zinc/43/41/81/1097434181.db2.gz IWKZYPLKORAKKM-MJGOQNOKSA-N 0 3 324.424 3.044 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](C1Cc3cc(F)c(F)cc3C1)CC2 ZINC001173481913 1097446983 /nfs/dbraw/zinc/44/69/83/1097446983.db2.gz AHDVVJYRKQVLHU-UHFFFAOYSA-N 0 3 301.336 3.196 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](C1Cc3cc(F)c(F)cc3C1)CC2 ZINC001173481913 1097446986 /nfs/dbraw/zinc/44/69/86/1097446986.db2.gz AHDVVJYRKQVLHU-UHFFFAOYSA-N 0 3 301.336 3.196 20 10 DGCDHN CN1C(=O)CCC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231589613 1097785760 /nfs/dbraw/zinc/78/57/60/1097785760.db2.gz MTYOYLRQVZHFQO-UHFFFAOYSA-N 0 3 324.424 3.132 20 10 DGCDHN Clc1cc(CN2CCCC23CC3)ccc1N1CCOCC1 ZINC001232196662 1097962274 /nfs/dbraw/zinc/96/22/74/1097962274.db2.gz DVJIKBCOUWNXKX-UHFFFAOYSA-N 0 3 306.837 3.305 20 10 DGCDHN COC(=O)c1c(CN2CCC23CCCC3)c2ccccc2n1C ZINC001232402325 1098028343 /nfs/dbraw/zinc/02/83/43/1098028343.db2.gz LQHZLVQZZPLSDJ-UHFFFAOYSA-N 0 3 312.413 3.483 20 10 DGCDHN Oc1cccc2c1CN(Cc1c[nH]c3nccc(Cl)c13)CC2 ZINC001232463067 1098043622 /nfs/dbraw/zinc/04/36/22/1098043622.db2.gz FLRBAAXHTGLROS-UHFFFAOYSA-N 0 3 313.788 3.480 20 10 DGCDHN C[C@@H]1C(=O)CCN(Cc2ccc(N(C)C)cc2O)C12CCCC2 ZINC001232841676 1098150441 /nfs/dbraw/zinc/15/04/41/1098150441.db2.gz OCNXNJQLGDMESA-CQSZACIVSA-N 0 3 316.445 3.182 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1[O-] ZINC001233287677 1098278036 /nfs/dbraw/zinc/27/80/36/1098278036.db2.gz CASBEPOUECGWID-ZBEGNZNMSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1[O-] ZINC001233287677 1098278040 /nfs/dbraw/zinc/27/80/40/1098278040.db2.gz CASBEPOUECGWID-ZBEGNZNMSA-N 0 3 313.825 3.037 20 10 DGCDHN CN1CCN(Cc2c(O)ccc(F)c2F)[C@H](c2ccccc2)C1 ZINC001233331609 1098292477 /nfs/dbraw/zinc/29/24/77/1098292477.db2.gz DBIZBAYFKBQBSY-INIZCTEOSA-N 0 3 318.367 3.159 20 10 DGCDHN [O-]c1c(C[N@@H+]2CC[C@@]3(CCCO3)C2)cccc1OC(F)(F)F ZINC001233736686 1098419405 /nfs/dbraw/zinc/41/94/05/1098419405.db2.gz PROICRGQBHASLQ-AWEZNQCLSA-N 0 3 317.307 3.046 20 10 DGCDHN [O-]c1c(C[N@H+]2CC[C@@]3(CCCO3)C2)cccc1OC(F)(F)F ZINC001233736686 1098419410 /nfs/dbraw/zinc/41/94/10/1098419410.db2.gz PROICRGQBHASLQ-AWEZNQCLSA-N 0 3 317.307 3.046 20 10 DGCDHN CC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761249 1098425025 /nfs/dbraw/zinc/42/50/25/1098425025.db2.gz QQCZEIWYUGSPSY-NSHDSACASA-N 0 3 317.307 3.092 20 10 DGCDHN CC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761249 1098425026 /nfs/dbraw/zinc/42/50/26/1098425026.db2.gz QQCZEIWYUGSPSY-NSHDSACASA-N 0 3 317.307 3.092 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4[C@H](CF)[C@H]4C3)c2c1 ZINC001234561861 1098600766 /nfs/dbraw/zinc/60/07/66/1098600766.db2.gz DMYKKWZMYPTEOY-PHZGNYQRSA-N 0 3 301.361 3.201 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4[C@H](CF)[C@H]4C3)c2c1 ZINC001234561861 1098600769 /nfs/dbraw/zinc/60/07/69/1098600769.db2.gz DMYKKWZMYPTEOY-PHZGNYQRSA-N 0 3 301.361 3.201 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)c2c1 ZINC001234562444 1098602618 /nfs/dbraw/zinc/60/26/18/1098602618.db2.gz NTXWNFCQXRKLQS-DCGLDWPTSA-N 0 3 301.361 3.486 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)c2c1 ZINC001234562444 1098602622 /nfs/dbraw/zinc/60/26/22/1098602622.db2.gz NTXWNFCQXRKLQS-DCGLDWPTSA-N 0 3 301.361 3.486 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3CC4(CSC4)C3)c2c1 ZINC001234569087 1098603463 /nfs/dbraw/zinc/60/34/63/1098603463.db2.gz JJJJZXQYJFGTTO-UHFFFAOYSA-N 0 3 301.411 3.103 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H]3CC=C(OC)CC3)cc2)CC1 ZINC001234660972 1098636027 /nfs/dbraw/zinc/63/60/27/1098636027.db2.gz NTIDMPFNQHTUED-LJQANCHMSA-N 0 3 316.445 3.290 20 10 DGCDHN Cn1cc2c(n1)CCN(Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234997207 1098741502 /nfs/dbraw/zinc/74/15/02/1098741502.db2.gz VFAJVKDXDKVVNN-UHFFFAOYSA-N 0 3 319.408 3.351 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001235258987 1098931396 /nfs/dbraw/zinc/93/13/96/1098931396.db2.gz UKLMBFSOCHLDOZ-DOMZBBRYSA-N 0 3 308.853 3.137 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CCC[C@H]3[NH2+]C[C@@H]32)cc1Cl ZINC001235308233 1098953325 /nfs/dbraw/zinc/95/33/25/1098953325.db2.gz WHXGUJZJZWLUQO-CABCVRRESA-N 0 3 308.853 3.279 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CCC[C@@H]3[NH2+]C[C@@H]32)cc1Cl ZINC001235308237 1098953355 /nfs/dbraw/zinc/95/33/55/1098953355.db2.gz WHXGUJZJZWLUQO-GJZGRUSLSA-N 0 3 308.853 3.279 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c([O-])c1 ZINC001235674985 1099117854 /nfs/dbraw/zinc/11/78/54/1099117854.db2.gz KUDKLSSCKWBEDP-SFHVURJKSA-N 0 3 309.425 3.376 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](O)(CF)CC2)c([O-])c1 ZINC001235674985 1099117859 /nfs/dbraw/zinc/11/78/59/1099117859.db2.gz KUDKLSSCKWBEDP-SFHVURJKSA-N 0 3 309.425 3.376 20 10 DGCDHN [O-]c1c(F)cccc1C[N@@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235794668 1099183513 /nfs/dbraw/zinc/18/35/13/1099183513.db2.gz VQBOZJWTYGYNQG-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN [O-]c1c(F)cccc1C[N@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235794668 1099183515 /nfs/dbraw/zinc/18/35/15/1099183515.db2.gz VQBOZJWTYGYNQG-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@@H]([NH3+])[C@@H](F)C2)cc1Cl ZINC001235910597 1099252693 /nfs/dbraw/zinc/25/26/93/1099252693.db2.gz WLIFCSQEIHOIDD-UONOGXRCSA-N 0 3 314.832 3.214 20 10 DGCDHN COc1cc(C)c(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c([O-])c1 ZINC001180249069 1099357420 /nfs/dbraw/zinc/35/74/20/1099357420.db2.gz BRJDZPCWGTYLNK-OAHLLOKOSA-N 0 3 315.413 3.092 20 10 DGCDHN COc1cc(C)c(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c([O-])c1 ZINC001180249069 1099357432 /nfs/dbraw/zinc/35/74/32/1099357432.db2.gz BRJDZPCWGTYLNK-OAHLLOKOSA-N 0 3 315.413 3.092 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCc3ccc(N)cc3C2)c1O ZINC001236233463 1099487797 /nfs/dbraw/zinc/48/77/97/1099487797.db2.gz JAOQCWNAYZWXCN-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCc3ccc(N)cc3C2)c1[O-] ZINC001236233463 1099487805 /nfs/dbraw/zinc/48/78/05/1099487805.db2.gz JAOQCWNAYZWXCN-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCc3ccc(N)cc3C2)c1[O-] ZINC001236233463 1099487809 /nfs/dbraw/zinc/48/78/09/1099487809.db2.gz JAOQCWNAYZWXCN-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN COc1cc(C)c(CN2CCc3cc(F)ccc3C2)c(O)c1 ZINC001180786905 1099502032 /nfs/dbraw/zinc/50/20/32/1099502032.db2.gz JVSRLBONESJMCU-UHFFFAOYSA-N 0 3 301.361 3.407 20 10 DGCDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])CC1CCCC1 ZINC001236771354 1099776803 /nfs/dbraw/zinc/77/68/03/1099776803.db2.gz PJRJXHQVXWMVCT-UHFFFAOYSA-N 0 3 314.223 3.482 20 10 DGCDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])CC1CCCC1 ZINC001236771354 1099776813 /nfs/dbraw/zinc/77/68/13/1099776813.db2.gz PJRJXHQVXWMVCT-UHFFFAOYSA-N 0 3 314.223 3.482 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC001236782298 1099779831 /nfs/dbraw/zinc/77/98/31/1099779831.db2.gz AFQAUOWQXDCUEF-OAHLLOKOSA-N 0 3 301.390 3.026 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC001236782298 1099779839 /nfs/dbraw/zinc/77/98/39/1099779839.db2.gz AFQAUOWQXDCUEF-OAHLLOKOSA-N 0 3 301.390 3.026 20 10 DGCDHN COC(=O)c1cc(Cl)cc(CN(C)Cc2ccccc2O)c1 ZINC001236779055 1099781160 /nfs/dbraw/zinc/78/11/60/1099781160.db2.gz TVTDSRSNKBPYDQ-UHFFFAOYSA-N 0 3 319.788 3.464 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001236787018 1099782561 /nfs/dbraw/zinc/78/25/61/1099782561.db2.gz GTFRYXGIXBIHBG-QGZVFWFLSA-N 0 3 312.413 3.311 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c([O-])c1 ZINC001236787018 1099782568 /nfs/dbraw/zinc/78/25/68/1099782568.db2.gz GTFRYXGIXBIHBG-QGZVFWFLSA-N 0 3 312.413 3.311 20 10 DGCDHN CCc1ccc(CN(CCC(=O)OC)Cc2ccco2)c(O)c1 ZINC001236789708 1099785322 /nfs/dbraw/zinc/78/53/22/1099785322.db2.gz QNSQZOPTRZUXRJ-UHFFFAOYSA-N 0 3 317.385 3.113 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001236827917 1099811956 /nfs/dbraw/zinc/81/19/56/1099811956.db2.gz WOVLEAXLJOOCEM-HNNXBMFYSA-N 0 3 311.303 3.045 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001236827917 1099811967 /nfs/dbraw/zinc/81/19/67/1099811967.db2.gz WOVLEAXLJOOCEM-HNNXBMFYSA-N 0 3 311.303 3.045 20 10 DGCDHN Clc1cc(N2CCOCC2)ccc1CN1CCCC12CC2 ZINC001236929120 1099880267 /nfs/dbraw/zinc/88/02/67/1099880267.db2.gz OJDGTLICKSOAQJ-UHFFFAOYSA-N 0 3 306.837 3.305 20 10 DGCDHN CC(C)c1ccc(CN2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001237050232 1099944059 /nfs/dbraw/zinc/94/40/59/1099944059.db2.gz ZQDNTUGRARCFLG-UHFFFAOYSA-N 0 3 306.425 3.134 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c([O-])c1 ZINC001237054506 1099947105 /nfs/dbraw/zinc/94/71/05/1099947105.db2.gz AWJYUVNRZMTJQL-UHFFFAOYSA-N 0 3 303.402 3.045 20 10 DGCDHN Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C2)n1 ZINC001237054705 1099947195 /nfs/dbraw/zinc/94/71/95/1099947195.db2.gz DTOCVAFSPTYYAM-OAHLLOKOSA-N 0 3 301.390 3.197 20 10 DGCDHN Cc1noc([C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C2)n1 ZINC001237054705 1099947207 /nfs/dbraw/zinc/94/72/07/1099947207.db2.gz DTOCVAFSPTYYAM-OAHLLOKOSA-N 0 3 301.390 3.197 20 10 DGCDHN COc1ccc(C[NH+]2CCC3(Cc4ccccc4N3)CC2)c([O-])c1 ZINC001237332529 1100080718 /nfs/dbraw/zinc/08/07/18/1100080718.db2.gz DORMBQJKGIALRZ-UHFFFAOYSA-N 0 3 324.424 3.404 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001237484568 1100139218 /nfs/dbraw/zinc/13/92/18/1100139218.db2.gz FYUXUBDOFISDSM-IUODEOHRSA-N 0 3 317.351 3.226 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001237484568 1100139220 /nfs/dbraw/zinc/13/92/20/1100139220.db2.gz FYUXUBDOFISDSM-IUODEOHRSA-N 0 3 317.351 3.226 20 10 DGCDHN CCc1noc([C@@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237487753 1100140956 /nfs/dbraw/zinc/14/09/56/1100140956.db2.gz MUKNHMYYGZUQEJ-CYBMUJFWSA-N 0 3 301.390 3.026 20 10 DGCDHN CCc1noc([C@@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237487753 1100140960 /nfs/dbraw/zinc/14/09/60/1100140960.db2.gz MUKNHMYYGZUQEJ-CYBMUJFWSA-N 0 3 301.390 3.026 20 10 DGCDHN OC[C@@H]1C[C@@H](F)CN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641728 1100199490 /nfs/dbraw/zinc/19/94/90/1100199490.db2.gz WKARLDDBTVOYEW-SJORKVTESA-N 0 3 319.351 3.103 20 10 DGCDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237686800 1100214168 /nfs/dbraw/zinc/21/41/68/1100214168.db2.gz ONOYAPYXDINZIG-GFCCVEGCSA-N 0 3 311.809 3.129 20 10 DGCDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237686800 1100214174 /nfs/dbraw/zinc/21/41/74/1100214174.db2.gz ONOYAPYXDINZIG-GFCCVEGCSA-N 0 3 311.809 3.129 20 10 DGCDHN CC(=O)N1CC[C@@H]([N@@H+](Cc2cc(Cl)cc(C)c2[O-])C(C)C)C1 ZINC001237688085 1100215203 /nfs/dbraw/zinc/21/52/03/1100215203.db2.gz FPEMOGBYAAZPCU-MRXNPFEDSA-N 0 3 324.852 3.185 20 10 DGCDHN CC(=O)N1CC[C@@H]([N@H+](Cc2cc(Cl)cc(C)c2[O-])C(C)C)C1 ZINC001237688085 1100215209 /nfs/dbraw/zinc/21/52/09/1100215209.db2.gz FPEMOGBYAAZPCU-MRXNPFEDSA-N 0 3 324.852 3.185 20 10 DGCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c1[O-] ZINC001238061331 1100345341 /nfs/dbraw/zinc/34/53/41/1100345341.db2.gz GRLMLPANMINZKU-KRWDZBQOSA-N 0 3 300.377 3.442 20 10 DGCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1[O-] ZINC001238061331 1100345350 /nfs/dbraw/zinc/34/53/50/1100345350.db2.gz GRLMLPANMINZKU-KRWDZBQOSA-N 0 3 300.377 3.442 20 10 DGCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1[O-] ZINC001238063505 1100348801 /nfs/dbraw/zinc/34/88/01/1100348801.db2.gz XNNLOSKTBOAWBC-QGZVFWFLSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1[O-] ZINC001238063505 1100348810 /nfs/dbraw/zinc/34/88/10/1100348810.db2.gz XNNLOSKTBOAWBC-QGZVFWFLSA-N 0 3 301.361 3.493 20 10 DGCDHN CCc1noc([C@@H]2CCC[N@H+](Cc3cc(F)cc(C)c3[O-])C2)n1 ZINC001238070945 1100351301 /nfs/dbraw/zinc/35/13/01/1100351301.db2.gz QIWBOMBCUYGHIB-GFCCVEGCSA-N 0 3 319.380 3.165 20 10 DGCDHN CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(C)c3[O-])C2)n1 ZINC001238070945 1100351310 /nfs/dbraw/zinc/35/13/10/1100351310.db2.gz QIWBOMBCUYGHIB-GFCCVEGCSA-N 0 3 319.380 3.165 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c([O-])c1 ZINC001205890468 1102350655 /nfs/dbraw/zinc/35/06/55/1102350655.db2.gz RZYPZXYRVJRDII-WMZOPIPTSA-N 0 3 309.450 3.088 20 10 DGCDHN COC(=O)c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1 ZINC001327419928 1103638487 /nfs/dbraw/zinc/63/84/87/1103638487.db2.gz LPLFDXPOLWVJHZ-UHFFFAOYSA-N 0 3 324.424 3.363 20 10 DGCDHN C[C@@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)[C@H]1CO ZINC001249223611 1105249817 /nfs/dbraw/zinc/24/98/17/1105249817.db2.gz JRGGNYVHBDPGNV-CJNGLKHVSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)[C@H]1CO ZINC001249223611 1105249822 /nfs/dbraw/zinc/24/98/22/1105249822.db2.gz JRGGNYVHBDPGNV-CJNGLKHVSA-N 0 3 317.429 3.169 20 10 DGCDHN CO[C@@H](C)C1C[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249258623 1105258605 /nfs/dbraw/zinc/25/86/05/1105258605.db2.gz KXDUCAJCCROGIL-LBPRGKRZSA-N 0 3 303.402 3.043 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@H+](C)[C@H](C)CC)c([O-])c1 ZINC001249731030 1105368619 /nfs/dbraw/zinc/36/86/19/1105368619.db2.gz PCNGYWRGSKIKHV-CQSZACIVSA-N 0 3 323.433 3.345 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@@H+](C)[C@H](C)CC)c([O-])c1 ZINC001249731030 1105368626 /nfs/dbraw/zinc/36/86/26/1105368626.db2.gz PCNGYWRGSKIKHV-CQSZACIVSA-N 0 3 323.433 3.345 20 10 DGCDHN Cc1cc(C[N@@H+](C)C2CCOCC2)c([O-])cc1Br ZINC001250120769 1105446582 /nfs/dbraw/zinc/44/65/82/1105446582.db2.gz PVRIOHJVGLKSFW-UHFFFAOYSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc(C[N@H+](C)C2CCOCC2)c([O-])cc1Br ZINC001250120769 1105446584 /nfs/dbraw/zinc/44/65/84/1105446584.db2.gz PVRIOHJVGLKSFW-UHFFFAOYSA-N 0 3 314.223 3.074 20 10 DGCDHN CCOC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC001257147392 1106544462 /nfs/dbraw/zinc/54/44/62/1106544462.db2.gz UOCTYJIKXMMCAR-CQSZACIVSA-N 0 3 313.397 3.290 20 10 DGCDHN COc1ccc(N2CCN([C@H]3CCCSC3)CC2)c(C)c1 ZINC001257680628 1106620695 /nfs/dbraw/zinc/62/06/95/1106620695.db2.gz CBJXOFWLGVZDTA-HNNXBMFYSA-N 0 3 306.475 3.021 20 10 DGCDHN C[C@@H](C[C@@H](O)c1ccco1)NCc1cc(F)c(N(C)C)cc1F ZINC001261787871 1107528719 /nfs/dbraw/zinc/52/87/19/1107528719.db2.gz DMPUJWJGDMFDGD-MEDUHNTESA-N 0 3 324.371 3.226 20 10 DGCDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cccc(N(C)C)n1 ZINC001323830041 1108097381 /nfs/dbraw/zinc/09/73/81/1108097381.db2.gz PAWIVVOFIHGLMD-UKRRQHHQSA-N 0 3 311.429 3.500 20 10 DGCDHN CO[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC001324541366 1108333383 /nfs/dbraw/zinc/33/33/83/1108333383.db2.gz JYLQWXBMHXNUKM-NVXWUHKLSA-N 0 3 301.361 3.496 20 10 DGCDHN COc1cc(O)c(CN2CC(c3ccc(F)cc3)C2)cc1OC ZINC001325012726 1108557313 /nfs/dbraw/zinc/55/73/13/1108557313.db2.gz IXTXRTLJXOEXTP-UHFFFAOYSA-N 0 3 317.360 3.148 20 10 DGCDHN FC1(F)[C@@H]2CCCO[C@@]21CNCc1ccc(N2CCCC2)cc1 ZINC001308468992 1111431945 /nfs/dbraw/zinc/43/19/45/1111431945.db2.gz YEWHHMGKNHPAFL-SJORKVTESA-N 0 3 322.399 3.191 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)C[C@@H](C)c2nccs2)c([O-])c1 ZINC001308636099 1111454518 /nfs/dbraw/zinc/45/45/18/1111454518.db2.gz YKTVJWXYKTXBIC-GFCCVEGCSA-N 0 3 306.431 3.401 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)C[C@@H](C)c2nccs2)c([O-])c1 ZINC001308636099 1111454521 /nfs/dbraw/zinc/45/45/21/1111454521.db2.gz YKTVJWXYKTXBIC-GFCCVEGCSA-N 0 3 306.431 3.401 20 10 DGCDHN COc1ccc(O)c(CNCc2cc(Cl)cc3c2OCC3)c1 ZINC001308673504 1111459033 /nfs/dbraw/zinc/45/90/33/1111459033.db2.gz WPOGHFDFALDDAQ-UHFFFAOYSA-N 0 3 319.788 3.279 20 10 DGCDHN CCCCN(CCCO)Cc1cc(F)c(N(C)C)cc1F ZINC001308745208 1111469303 /nfs/dbraw/zinc/46/93/03/1111469303.db2.gz RYYLJHRIEDLVBR-UHFFFAOYSA-N 0 3 300.393 3.015 20 10 DGCDHN CCN(CC)c1ncc(CNCc2ccc(N(C)C)cc2)s1 ZINC000079076919 185154400 /nfs/dbraw/zinc/15/44/00/185154400.db2.gz APGKRHLFSIXXHV-UHFFFAOYSA-N 0 3 318.490 3.345 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000103855039 432013251 /nfs/dbraw/zinc/01/32/51/432013251.db2.gz RTJCIMOPNCIWFT-UHFFFAOYSA-N 0 3 310.397 3.117 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179560342 432062846 /nfs/dbraw/zinc/06/28/46/432062846.db2.gz JSPHXBLQRHJAEJ-UHFFFAOYSA-N 0 3 320.433 3.224 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179560342 432062850 /nfs/dbraw/zinc/06/28/50/432062850.db2.gz JSPHXBLQRHJAEJ-UHFFFAOYSA-N 0 3 320.433 3.224 20 10 DGCDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccccc1O ZINC000179585161 432064020 /nfs/dbraw/zinc/06/40/20/432064020.db2.gz PISXLGGYPIOIFG-YEJXKQKISA-N 0 3 303.427 3.323 20 10 DGCDHN CCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000268569374 432104733 /nfs/dbraw/zinc/10/47/33/432104733.db2.gz PZPUEAUVMUKOMM-SFHVURJKSA-N 0 3 324.424 3.160 20 10 DGCDHN CCOc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1OC ZINC000091956746 193132221 /nfs/dbraw/zinc/13/22/21/193132221.db2.gz PJWROGJUTQXSRQ-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CCOc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1OC ZINC000091956746 193132222 /nfs/dbraw/zinc/13/22/22/193132222.db2.gz PJWROGJUTQXSRQ-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(OC)c2[O-])C12CCC2 ZINC000092040981 193145494 /nfs/dbraw/zinc/14/54/94/193145494.db2.gz UEIISLANRJOOAC-HOTGVXAUSA-N 0 3 305.418 3.180 20 10 DGCDHN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2[O-])C12CCC2 ZINC000092040981 193145495 /nfs/dbraw/zinc/14/54/95/193145495.db2.gz UEIISLANRJOOAC-HOTGVXAUSA-N 0 3 305.418 3.180 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000092066889 193152558 /nfs/dbraw/zinc/15/25/58/193152558.db2.gz IHJVOQNQAQSWPK-CRAIPNDOSA-N 0 3 300.446 3.149 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000092066889 193152559 /nfs/dbraw/zinc/15/25/59/193152559.db2.gz IHJVOQNQAQSWPK-CRAIPNDOSA-N 0 3 300.446 3.149 20 10 DGCDHN CCCN1CCC([N@H+](C)Cc2cccc(OCC)c2[O-])CC1 ZINC000092165523 193169977 /nfs/dbraw/zinc/16/99/77/193169977.db2.gz FTYIJDPIIWSGQX-UHFFFAOYSA-N 0 3 306.450 3.097 20 10 DGCDHN CCCN1CCC([N@@H+](C)Cc2cccc(OCC)c2[O-])CC1 ZINC000092165523 193169979 /nfs/dbraw/zinc/16/99/79/193169979.db2.gz FTYIJDPIIWSGQX-UHFFFAOYSA-N 0 3 306.450 3.097 20 10 DGCDHN C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273490346 296114741 /nfs/dbraw/zinc/11/47/41/296114741.db2.gz OBXFXWPJEMLHCM-GFCCVEGCSA-N 0 3 321.421 3.214 20 10 DGCDHN Cc1cccnc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000093193165 193213182 /nfs/dbraw/zinc/21/31/82/193213182.db2.gz OEFXRBODIFSOPD-KRWDZBQOSA-N 0 3 312.413 3.277 20 10 DGCDHN CCOc1cccc(CNCc2ccc(OC)c(OC)c2)c1O ZINC000040477128 183075260 /nfs/dbraw/zinc/07/52/60/183075260.db2.gz HBURTVNNXVUFRL-UHFFFAOYSA-N 0 3 317.385 3.098 20 10 DGCDHN CC[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000271585207 129937916 /nfs/dbraw/zinc/93/79/16/129937916.db2.gz XLBRLIFFENRVPS-UONOGXRCSA-N 0 3 304.356 3.107 20 10 DGCDHN CCOCc1cc(CNCC2([C@@H](O)C(C)C)CC2)ccc1OC ZINC000272107438 130000029 /nfs/dbraw/zinc/00/00/29/130000029.db2.gz WYZDLMKFEALJTH-SFHVURJKSA-N 0 3 321.461 3.118 20 10 DGCDHN CCOc1cccc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)OC)c1[O-] ZINC000272370596 130023890 /nfs/dbraw/zinc/02/38/90/130023890.db2.gz BNWFXNZRIGWSIQ-RDTXWAMCSA-N 0 3 321.417 3.002 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)c1 ZINC000272378534 130024353 /nfs/dbraw/zinc/02/43/53/130024353.db2.gz DGEGLXYOKCUWKB-KZULUSFZSA-N 0 3 319.376 3.406 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1 ZINC000273297312 130103923 /nfs/dbraw/zinc/10/39/23/130103923.db2.gz AKABCRSSKRIWLK-WBMJQRKESA-N 0 3 320.458 3.416 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c([O-])c1C ZINC000273411165 130118584 /nfs/dbraw/zinc/11/85/84/130118584.db2.gz PRAAEHSBJFXYMW-HOTGVXAUSA-N 0 3 307.434 3.245 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ncccc2F)c([O-])c1C ZINC000273528076 130132178 /nfs/dbraw/zinc/13/21/78/130132178.db2.gz VREHLHGGPTXYCK-CYBMUJFWSA-N 0 3 304.365 3.273 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCOC2)c1[O-] ZINC000275272369 130300580 /nfs/dbraw/zinc/30/05/80/130300580.db2.gz CFYLEILCWKQULO-GHMZBOCLSA-N 0 3 314.223 3.150 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C(C)C)c1[O-] ZINC000275368107 130307421 /nfs/dbraw/zinc/30/74/21/130307421.db2.gz UZQXQBGZTLBYDF-GXFFZTMASA-N 0 3 316.239 3.131 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c1[O-] ZINC000275387124 130312877 /nfs/dbraw/zinc/31/28/77/130312877.db2.gz YJDYPGVQLWNVIF-GHMZBOCLSA-N 0 3 315.255 3.064 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1 ZINC000284770480 131110008 /nfs/dbraw/zinc/11/00/08/131110008.db2.gz PQGXOTRZHPPKBZ-YJBOKZPZSA-N 0 3 315.417 3.098 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c([O-])c1 ZINC000284972330 131127402 /nfs/dbraw/zinc/12/74/02/131127402.db2.gz FVHYROQYVRECDL-HOTGVXAUSA-N 0 3 311.429 3.334 20 10 DGCDHN OC[C@@]1(F)CCCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000289379521 131381027 /nfs/dbraw/zinc/38/10/27/131381027.db2.gz BRHKQNUOSUMIES-LJQANCHMSA-N 0 3 315.388 3.356 20 10 DGCDHN COc1cccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c1[O-] ZINC000289431289 131385430 /nfs/dbraw/zinc/38/54/30/131385430.db2.gz KSQBAICHYWFMKX-CYBMUJFWSA-N 0 3 308.381 3.139 20 10 DGCDHN COc1ccccc1O[C@@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297794780 132034471 /nfs/dbraw/zinc/03/44/71/132034471.db2.gz QBWDNFVCKAGABT-DZGCQCFKSA-N 0 3 313.397 3.445 20 10 DGCDHN CN(C)c1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000298720578 132074872 /nfs/dbraw/zinc/07/48/72/132074872.db2.gz OKUDKEFWRWVMGD-UHFFFAOYSA-N 0 3 323.440 3.016 20 10 DGCDHN Oc1ccccc1CN(CCC(F)(F)F)C[C@@H]1CCCO1 ZINC000072952798 400419219 /nfs/dbraw/zinc/41/92/19/400419219.db2.gz OETDRDFRELJCQN-ZDUSSCGKSA-N 0 3 303.324 3.326 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686627 292165880 /nfs/dbraw/zinc/16/58/80/292165880.db2.gz LDKLFHWNESRZHN-KGLIPLIRSA-N 0 3 315.392 3.164 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000136691061 227050712 /nfs/dbraw/zinc/05/07/12/227050712.db2.gz IFJHXBBWCLWVJX-OAHLLOKOSA-N 0 3 305.418 3.372 20 10 DGCDHN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-] ZINC000176986352 228322843 /nfs/dbraw/zinc/32/28/43/228322843.db2.gz FFTSEUPHQPVDBH-LLVKDONJSA-N 0 3 304.321 3.333 20 10 DGCDHN CC(C)C[NH+]1CCC(N[C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191196915 432234081 /nfs/dbraw/zinc/23/40/81/432234081.db2.gz BSACKPCYWVSUJJ-LBPRGKRZSA-N 0 3 312.404 3.441 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1C ZINC000151397841 432244719 /nfs/dbraw/zinc/24/47/19/432244719.db2.gz HJFMBJUXUZZOBA-WBVHZDCISA-N 0 3 307.459 3.153 20 10 DGCDHN C[C@@H](CC[NH2+][C@@H]1CCc2cccc([O-])c21)NC(=O)OC(C)(C)C ZINC000297126994 278233917 /nfs/dbraw/zinc/23/39/17/278233917.db2.gz YUWSGZFQOUBFCK-GXTWGEPZSA-N 0 3 320.433 3.272 20 10 DGCDHN C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000271640816 278352337 /nfs/dbraw/zinc/35/23/37/278352337.db2.gz DSYRLFOIGJJJOC-RHSMWYFYSA-N 0 3 304.434 3.089 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)Cc1c[nH]c3ccccc13)CC2 ZINC000297671382 280414907 /nfs/dbraw/zinc/41/49/07/280414907.db2.gz LAFNGMONCPICRZ-MAUKXSAKSA-N 0 3 322.408 3.054 20 10 DGCDHN CC[C@H](NCc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000090851801 431896678 /nfs/dbraw/zinc/89/66/78/431896678.db2.gz MOFJQYBCDJTIEM-SFHVURJKSA-N 0 3 312.461 3.455 20 10 DGCDHN Cc1cccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000183381155 432287989 /nfs/dbraw/zinc/28/79/89/432287989.db2.gz RQPHAEZRQQGDLV-OAHLLOKOSA-N 0 3 322.412 3.474 20 10 DGCDHN Cc1cccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000183381155 432287992 /nfs/dbraw/zinc/28/79/92/432287992.db2.gz RQPHAEZRQQGDLV-OAHLLOKOSA-N 0 3 322.412 3.474 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccccc1[O-] ZINC000183415418 432292132 /nfs/dbraw/zinc/29/21/32/432292132.db2.gz OFQZGUWRGVNBGI-HNNXBMFYSA-N 0 3 324.424 3.365 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1[O-] ZINC000183430577 432293441 /nfs/dbraw/zinc/29/34/41/432293441.db2.gz ATTLWNYSDQCEIJ-OAHLLOKOSA-N 0 3 311.429 3.102 20 10 DGCDHN CCOC(=O)C1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000183463908 432296174 /nfs/dbraw/zinc/29/61/74/432296174.db2.gz VQQBMHGGLCFKMP-UHFFFAOYSA-N 0 3 311.809 3.129 20 10 DGCDHN CCOc1cccc(C[N@H+](C)C2CCN(C(C)C)CC2)c1[O-] ZINC000271028153 432319205 /nfs/dbraw/zinc/31/92/05/432319205.db2.gz FMCRLOQKBWSTAM-UHFFFAOYSA-N 0 3 306.450 3.096 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)C2CCN(C(C)C)CC2)c1[O-] ZINC000271028153 432319210 /nfs/dbraw/zinc/31/92/10/432319210.db2.gz FMCRLOQKBWSTAM-UHFFFAOYSA-N 0 3 306.450 3.096 20 10 DGCDHN CCn1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000271074895 432326369 /nfs/dbraw/zinc/32/63/69/432326369.db2.gz NYGSEEFZSWHGBD-UHFFFAOYSA-N 0 3 300.450 3.380 20 10 DGCDHN C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccccc1[O-] ZINC000183601248 432308389 /nfs/dbraw/zinc/30/83/89/432308389.db2.gz CGJXPUAFHCVPPB-OAHLLOKOSA-N 0 3 324.424 3.365 20 10 DGCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000271440194 432395123 /nfs/dbraw/zinc/39/51/23/432395123.db2.gz RRJKIRJDOURHAF-DZGCQCFKSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000271440194 432395126 /nfs/dbraw/zinc/39/51/26/432395126.db2.gz RRJKIRJDOURHAF-DZGCQCFKSA-N 0 3 320.433 3.127 20 10 DGCDHN CCc1nc([C@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)n[nH]1 ZINC000271443604 432397458 /nfs/dbraw/zinc/39/74/58/432397458.db2.gz FKTXFCXTMJXBLY-WFASDCNBSA-N 0 3 301.438 3.235 20 10 DGCDHN CNC(=O)CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000272093663 432444107 /nfs/dbraw/zinc/44/41/07/432444107.db2.gz YLUFUWXVFINDCW-HNNXBMFYSA-N 0 3 312.413 3.092 20 10 DGCDHN CNC(=O)CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000272093663 432444110 /nfs/dbraw/zinc/44/41/10/432444110.db2.gz YLUFUWXVFINDCW-HNNXBMFYSA-N 0 3 312.413 3.092 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1[O-] ZINC000184961248 432449275 /nfs/dbraw/zinc/44/92/75/432449275.db2.gz ZZGJNJAJRKYPBN-KRWDZBQOSA-N 0 3 305.805 3.351 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(F)ccc1[O-] ZINC000184984484 432452933 /nfs/dbraw/zinc/45/29/33/432452933.db2.gz CZVNAEGJMWDARV-CYBMUJFWSA-N 0 3 315.392 3.377 20 10 DGCDHN C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000185027241 432457513 /nfs/dbraw/zinc/45/75/13/432457513.db2.gz YMSBKQLRJFADDE-SNVBAGLBSA-N 0 3 308.319 3.066 20 10 DGCDHN CCC[N@H+](Cc1cc(OC)ccc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271881339 432426452 /nfs/dbraw/zinc/42/64/52/432426452.db2.gz VCMIBZOWTZOLPB-KBAYOESNSA-N 0 3 319.445 3.426 20 10 DGCDHN CCC[N@@H+](Cc1cc(OC)ccc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271881339 432426455 /nfs/dbraw/zinc/42/64/55/432426455.db2.gz VCMIBZOWTZOLPB-KBAYOESNSA-N 0 3 319.445 3.426 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c([O-])c1 ZINC000185215229 432477483 /nfs/dbraw/zinc/47/74/83/432477483.db2.gz ORSLEAPZXNLEEM-OAHLLOKOSA-N 0 3 318.461 3.388 20 10 DGCDHN C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185206524 432477530 /nfs/dbraw/zinc/47/75/30/432477530.db2.gz JIRXXPYDRIDXPU-KKUMJFAQSA-N 0 3 324.440 3.071 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000185214938 432478003 /nfs/dbraw/zinc/47/80/03/432478003.db2.gz MJMNTUFRVWTSCR-OAHLLOKOSA-N 0 3 318.461 3.388 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185442644 432500729 /nfs/dbraw/zinc/50/07/29/432500729.db2.gz YSYQAWHYVZFTNH-KGLIPLIRSA-N 0 3 320.433 3.361 20 10 DGCDHN CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000185657822 432519677 /nfs/dbraw/zinc/51/96/77/432519677.db2.gz FJASGGPQGYOTMG-ZYKFEASCSA-N 0 3 309.475 3.431 20 10 DGCDHN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185825859 432536365 /nfs/dbraw/zinc/53/63/65/432536365.db2.gz VDUHAFWMOPUZTL-KDOFPFPSSA-N 0 3 315.413 3.484 20 10 DGCDHN Cc1noc(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])n1 ZINC000264373672 432640521 /nfs/dbraw/zinc/64/05/21/432640521.db2.gz MNOGHNMPJATMMF-UHFFFAOYSA-N 0 3 323.396 3.473 20 10 DGCDHN CC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187308757 432658055 /nfs/dbraw/zinc/65/80/55/432658055.db2.gz PKLIZWJANLRICO-ZYHUDNBSSA-N 0 3 316.239 3.275 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000187504847 432667853 /nfs/dbraw/zinc/66/78/53/432667853.db2.gz QEVGZYYWPWMBBN-UHFFFAOYSA-N 0 3 315.413 3.308 20 10 DGCDHN CCOc1ccc(O)c(CNCc2ccc(C(C)(C)O)cc2)c1 ZINC000187504847 432667854 /nfs/dbraw/zinc/66/78/54/432667854.db2.gz QEVGZYYWPWMBBN-UHFFFAOYSA-N 0 3 315.413 3.308 20 10 DGCDHN CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000227443553 432711021 /nfs/dbraw/zinc/71/10/21/432711021.db2.gz CFQKTWXSLZIGJB-UHFFFAOYSA-N 0 3 320.433 3.129 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227686809 432714261 /nfs/dbraw/zinc/71/42/61/432714261.db2.gz JZIKRHSPFKMVSO-OLZOCXBDSA-N 0 3 308.422 3.264 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1OC ZINC000187679543 432676519 /nfs/dbraw/zinc/67/65/19/432676519.db2.gz XEKDZUYPUSPJIM-GOEBONIOSA-N 0 3 323.433 3.093 20 10 DGCDHN COc1cccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1[O-] ZINC000276643092 432822948 /nfs/dbraw/zinc/82/29/48/432822948.db2.gz RAUSKFWVBQFDKH-OAHLLOKOSA-N 0 3 305.418 3.372 20 10 DGCDHN Cc1noc(C[C@@H](NCc2cc(C)ccc2O)c2ccccc2)n1 ZINC000277756636 432874659 /nfs/dbraw/zinc/87/46/59/432874659.db2.gz WTQDQCXYHDNKNO-QGZVFWFLSA-N 0 3 323.396 3.466 20 10 DGCDHN COc1cccc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)c1 ZINC000296225457 432885312 /nfs/dbraw/zinc/88/53/12/432885312.db2.gz AHJOOFWKVUMHTQ-MAUKXSAKSA-N 0 3 324.424 3.257 20 10 DGCDHN CC[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)NC(=O)OC(C)(C)C ZINC000296571281 432923213 /nfs/dbraw/zinc/92/32/13/432923213.db2.gz SWXIDACTFLHHCO-KBPBESRZSA-N 0 3 320.433 3.272 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296353147 432898772 /nfs/dbraw/zinc/89/87/72/432898772.db2.gz IKVLGHKHPZECKN-CABCVRRESA-N 0 3 318.461 3.375 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296353147 432898774 /nfs/dbraw/zinc/89/87/74/432898774.db2.gz IKVLGHKHPZECKN-CABCVRRESA-N 0 3 318.461 3.375 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c([O-])c1C ZINC000278778201 432900356 /nfs/dbraw/zinc/90/03/56/432900356.db2.gz YECNSVDHBIZTHE-NVXWUHKLSA-N 0 3 320.477 3.161 20 10 DGCDHN CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])C(C)C ZINC000296538094 432920352 /nfs/dbraw/zinc/92/03/52/432920352.db2.gz QWFSSASGDMZKRG-ZBFHGGJFSA-N 0 3 306.450 3.163 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c([O-])c1 ZINC000297216071 432976663 /nfs/dbraw/zinc/97/66/63/432976663.db2.gz GZVCBKSSCUFABA-RHSMWYFYSA-N 0 3 317.404 3.402 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[O-] ZINC000289915121 432978178 /nfs/dbraw/zinc/97/81/78/432978178.db2.gz VHVRPNVRUQAKPW-WFASDCNBSA-N 0 3 324.852 3.113 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn[nH]c2)c1[O-] ZINC000290011501 432982285 /nfs/dbraw/zinc/98/22/85/432982285.db2.gz ZUUBAZJECBHURG-SNVBAGLBSA-N 0 3 324.222 3.080 20 10 DGCDHN CC[C@@H](NCc1ccc(OC)nc1OC)c1ccc(C)cc1O ZINC000290057106 432985193 /nfs/dbraw/zinc/98/51/93/432985193.db2.gz FJODWMIPOKRHKE-OAHLLOKOSA-N 0 3 316.401 3.354 20 10 DGCDHN COc1cc(O)c(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1OC ZINC000290185644 433009467 /nfs/dbraw/zinc/00/94/67/433009467.db2.gz ODYIWZRXDVANIR-ZMZPIMSZSA-N 0 3 315.369 3.021 20 10 DGCDHN CCCn1ccnc1CCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000290389020 433043122 /nfs/dbraw/zinc/04/31/22/433043122.db2.gz IQZZDEBTISTSMK-UHFFFAOYSA-N 0 3 301.434 3.372 20 10 DGCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000290389020 433043126 /nfs/dbraw/zinc/04/31/26/433043126.db2.gz IQZZDEBTISTSMK-UHFFFAOYSA-N 0 3 301.434 3.372 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1[O-] ZINC000373212836 433129426 /nfs/dbraw/zinc/12/94/26/433129426.db2.gz VHUSGOPJWGSXIW-INIZCTEOSA-N 0 3 308.385 3.214 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCCCC(F)(F)C1)OCO2 ZINC000291669246 433305145 /nfs/dbraw/zinc/30/51/45/433305145.db2.gz GCOFHDZXGFPMAO-NSHDSACASA-N 0 3 313.344 3.426 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1[O-] ZINC000291765086 433341609 /nfs/dbraw/zinc/34/16/09/433341609.db2.gz SASOBJFOAYFEKM-APPDUMDISA-N 0 3 319.426 3.254 20 10 DGCDHN C[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296653908 290266893 /nfs/dbraw/zinc/26/68/93/290266893.db2.gz ZDGRODORQQOAHB-KGLIPLIRSA-N 0 3 304.434 3.067 20 10 DGCDHN C[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296653908 290266897 /nfs/dbraw/zinc/26/68/97/290266897.db2.gz ZDGRODORQQOAHB-KGLIPLIRSA-N 0 3 304.434 3.067 20 10 DGCDHN C[S@@](=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000282188344 433523615 /nfs/dbraw/zinc/52/36/15/433523615.db2.gz BUNVIJJERHBYGF-JOCHJYFZSA-N 0 3 315.438 3.060 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1C ZINC000282318707 433565161 /nfs/dbraw/zinc/56/51/61/433565161.db2.gz KWYTZXJKJMHDMO-HXUWFJFHSA-N 0 3 311.425 3.323 20 10 DGCDHN Cc1cc(O)c(CN[C@@]2(CO)CCCc3ccccc32)cc1C ZINC000282318707 433565172 /nfs/dbraw/zinc/56/51/72/433565172.db2.gz KWYTZXJKJMHDMO-HXUWFJFHSA-N 0 3 311.425 3.323 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1[O-] ZINC000292750965 433592092 /nfs/dbraw/zinc/59/20/92/433592092.db2.gz IKOPTEUGFQNMLM-QGZVFWFLSA-N 0 3 307.434 3.068 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000293272394 433678337 /nfs/dbraw/zinc/67/83/37/433678337.db2.gz CLLOBTSVIWPFIG-ZIAGYGMSSA-N 0 3 300.377 3.461 20 10 DGCDHN CN(C)c1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1F ZINC000293678935 433823894 /nfs/dbraw/zinc/82/38/94/433823894.db2.gz POSUEFVKKAETSJ-GOSISDBHSA-N 0 3 318.436 3.283 20 10 DGCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000293700196 433835735 /nfs/dbraw/zinc/83/57/35/433835735.db2.gz LZBRVRQGFTYYSA-HOCLYGCPSA-N 0 3 306.450 3.294 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c([O-])c1 ZINC000293829387 433887438 /nfs/dbraw/zinc/88/74/38/433887438.db2.gz SIWBIUDTWAYUII-OAHLLOKOSA-N 0 3 322.412 3.441 20 10 DGCDHN CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1c([O-])ccc(Cl)c1F)C2 ZINC000377633363 433938654 /nfs/dbraw/zinc/93/86/54/433938654.db2.gz XSDZBBTUPNUVSX-FOSCPWQOSA-N 0 3 312.816 3.242 20 10 DGCDHN CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1c([O-])ccc(Cl)c1F)C2 ZINC000377633363 433938662 /nfs/dbraw/zinc/93/86/62/433938662.db2.gz XSDZBBTUPNUVSX-FOSCPWQOSA-N 0 3 312.816 3.242 20 10 DGCDHN COc1ccc(CN[C@H](C)c2c(C)cc(C)cc2O)c(OC)n1 ZINC000294352873 434096765 /nfs/dbraw/zinc/09/67/65/434096765.db2.gz PZBBWTZBPUMFFC-CYBMUJFWSA-N 0 3 316.401 3.272 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c([O-])c1 ZINC000294706785 434128554 /nfs/dbraw/zinc/12/85/54/434128554.db2.gz BPCUMXRXILONCX-QGZVFWFLSA-N 0 3 307.434 3.428 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c([O-])c1 ZINC000294706785 434128560 /nfs/dbraw/zinc/12/85/60/434128560.db2.gz BPCUMXRXILONCX-QGZVFWFLSA-N 0 3 307.434 3.428 20 10 DGCDHN CN(C)c1ccc(CN(CCc2cscn2)C2CC2)cc1 ZINC000294782360 434140855 /nfs/dbraw/zinc/14/08/55/434140855.db2.gz APRBJWVPGBRBOG-UHFFFAOYSA-N 0 3 301.459 3.416 20 10 DGCDHN CCn1cc([C@H](C)NCc2cc(Cl)cc(OC)c2O)cn1 ZINC000294966052 434155567 /nfs/dbraw/zinc/15/55/67/434155567.db2.gz XATCXKGQKWNOLI-JTQLQIEISA-N 0 3 309.797 3.121 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H](CC)COCC(F)(F)F)c1[O-] ZINC000295099205 434200227 /nfs/dbraw/zinc/20/02/27/434200227.db2.gz KGEKUOSKSFGRDQ-GFCCVEGCSA-N 0 3 321.339 3.238 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000278427068 295168509 /nfs/dbraw/zinc/16/85/09/295168509.db2.gz JCIJOCOGBKZMFX-ZFWWWQNUSA-N 0 3 304.434 3.068 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000369667131 434599355 /nfs/dbraw/zinc/59/93/55/434599355.db2.gz YOFWRRATGDFKMD-UHFFFAOYSA-N 0 3 315.388 3.101 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1[O-] ZINC000293720666 335112481 /nfs/dbraw/zinc/11/24/81/335112481.db2.gz TXCGYTMYFWKFCX-INIZCTEOSA-N 0 3 313.825 3.085 20 10 DGCDHN CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2[O-])C1 ZINC000223456790 333405953 /nfs/dbraw/zinc/40/59/53/333405953.db2.gz HSCMIXJKRJNURU-AWEZNQCLSA-N 0 3 320.433 3.129 20 10 DGCDHN CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2[O-])C1 ZINC000223456734 333406095 /nfs/dbraw/zinc/40/60/95/333406095.db2.gz HSCMIXJKRJNURU-CQSZACIVSA-N 0 3 320.433 3.129 20 10 DGCDHN COc1ccc([C@@H](CCO)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296865831 335147051 /nfs/dbraw/zinc/14/70/51/335147051.db2.gz NTEGVVCYVKQPAQ-IAGOWNOFSA-N 0 3 313.397 3.101 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000296388292 334233352 /nfs/dbraw/zinc/23/33/52/334233352.db2.gz JXTOQIHZZXVQAZ-HRCADAONSA-N 0 3 324.424 3.043 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000296388292 334233353 /nfs/dbraw/zinc/23/33/53/334233353.db2.gz JXTOQIHZZXVQAZ-HRCADAONSA-N 0 3 324.424 3.043 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000360039885 337084079 /nfs/dbraw/zinc/08/40/79/337084079.db2.gz ZNXGKPKSHDSFOD-UAGQMJEPSA-N 0 3 305.418 3.084 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c1 ZINC000289760998 500976001 /nfs/dbraw/zinc/97/60/01/500976001.db2.gz JAAFNCFCOAPVMR-UHFFFAOYSA-N 0 3 311.429 3.294 20 10 DGCDHN Cc1ccc(O)c(CNCc2cc(C)nc(N3CCCC3)c2)c1 ZINC000289760998 500976006 /nfs/dbraw/zinc/97/60/06/500976006.db2.gz JAAFNCFCOAPVMR-UHFFFAOYSA-N 0 3 311.429 3.294 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000184695849 533953214 /nfs/dbraw/zinc/95/32/14/533953214.db2.gz RYDHCBMZDNAAAC-RISCZKNCSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000184695849 533953221 /nfs/dbraw/zinc/95/32/21/533953221.db2.gz RYDHCBMZDNAAAC-RISCZKNCSA-N 0 3 311.809 3.055 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179938309 520664672 /nfs/dbraw/zinc/66/46/72/520664672.db2.gz MZJLKAXHTZRSFD-WBVHZDCISA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179938309 520664679 /nfs/dbraw/zinc/66/46/79/520664679.db2.gz MZJLKAXHTZRSFD-WBVHZDCISA-N 0 3 318.461 3.217 20 10 DGCDHN CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[O-] ZINC000159472254 521371442 /nfs/dbraw/zinc/37/14/42/521371442.db2.gz NVGSUORZRZJHTO-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[O-] ZINC000159472254 521371447 /nfs/dbraw/zinc/37/14/47/521371447.db2.gz NVGSUORZRZJHTO-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CCN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000159472254 521371453 /nfs/dbraw/zinc/37/14/53/521371453.db2.gz NVGSUORZRZJHTO-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000182410359 524770767 /nfs/dbraw/zinc/77/07/67/524770767.db2.gz YQIGUIKVXOLDKE-APPDUMDISA-N 0 3 321.804 3.438 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000134787559 524774597 /nfs/dbraw/zinc/77/45/97/524774597.db2.gz PBZSVVNTXDSMDX-BHADISHBSA-N 0 3 303.402 3.009 20 10 DGCDHN CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273598730 534841950 /nfs/dbraw/zinc/84/19/50/534841950.db2.gz RMTLYTGIJPSWSB-JEYLPNPQSA-N 0 3 304.434 3.107 20 10 DGCDHN C[C@H](NCC1(C)OCCO1)c1ccc(N2CCCCC2)cc1 ZINC000179570849 525317007 /nfs/dbraw/zinc/31/70/07/525317007.db2.gz BJSJLCQKZVXPAH-HNNXBMFYSA-N 0 3 304.434 3.091 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000186189647 525360537 /nfs/dbraw/zinc/36/05/37/525360537.db2.gz VCUVUZQKDDLAOO-FZKQIMNGSA-N 0 3 303.377 3.398 20 10 DGCDHN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000268864332 525493571 /nfs/dbraw/zinc/49/35/71/525493571.db2.gz SZEMEHCQXDLYGB-DOMZBBRYSA-N 0 3 316.367 3.251 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000129218009 526363665 /nfs/dbraw/zinc/36/36/65/526363665.db2.gz KMCIJSFRJILOGK-AWEZNQCLSA-N 0 3 308.853 3.496 20 10 DGCDHN Oc1cccc(Cl)c1CNCc1cccc2c1OCCCO2 ZINC000128494375 526366056 /nfs/dbraw/zinc/36/60/56/526366056.db2.gz NZDGOADGEJOQTL-UHFFFAOYSA-N 0 3 319.788 3.497 20 10 DGCDHN COc1ccc(C[C@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000289181685 536527516 /nfs/dbraw/zinc/52/75/16/536527516.db2.gz AORHUJSYNMAYDZ-ZDUSSCGKSA-N 0 3 301.386 3.130 20 10 DGCDHN CC[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccccc1[O-] ZINC000274954503 535897343 /nfs/dbraw/zinc/89/73/43/535897343.db2.gz VOFISAUIZNNCEW-KRWDZBQOSA-N 0 3 318.461 3.078 20 10 DGCDHN COC[C@@H](CN[C@@H](C)c1ccc(N2CCCCCC2)cc1)OC ZINC000272699692 536629055 /nfs/dbraw/zinc/62/90/55/536629055.db2.gz RTMVZLNDPAEKRP-QFBILLFUSA-N 0 3 320.477 3.379 20 10 DGCDHN Oc1cc2c(cc1CN1CCCc3sccc3C1)OCO2 ZINC000730453901 574529707 /nfs/dbraw/zinc/52/97/07/574529707.db2.gz DSTPGPBTXVKGEC-UHFFFAOYSA-N 0 3 303.383 3.131 20 10 DGCDHN CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000731866185 574560698 /nfs/dbraw/zinc/56/06/98/574560698.db2.gz SKQRTGIMKCQZCY-UHFFFAOYSA-N 0 3 318.442 3.226 20 10 DGCDHN CCCCCNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613906 574632336 /nfs/dbraw/zinc/63/23/36/574632336.db2.gz PQEDRRZWSVDOLD-UHFFFAOYSA-N 0 3 318.461 3.443 20 10 DGCDHN CCCCCNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613906 574632337 /nfs/dbraw/zinc/63/23/37/574632337.db2.gz PQEDRRZWSVDOLD-UHFFFAOYSA-N 0 3 318.461 3.443 20 10 DGCDHN c1ccc(C2(NCc3ccc4c(c3)CCO4)CCOCC2)cc1 ZINC000733998006 574646259 /nfs/dbraw/zinc/64/62/59/574646259.db2.gz MXWVPVZYJRWRBC-UHFFFAOYSA-N 0 3 309.409 3.417 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1C(C)C ZINC000738148982 574860115 /nfs/dbraw/zinc/86/01/15/574860115.db2.gz NYKLOTZCOZEOPL-OAHLLOKOSA-N 0 3 319.445 3.409 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1C(C)C ZINC000738148982 574860117 /nfs/dbraw/zinc/86/01/17/574860117.db2.gz NYKLOTZCOZEOPL-OAHLLOKOSA-N 0 3 319.445 3.409 20 10 DGCDHN CC(C)N1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000738438741 574869927 /nfs/dbraw/zinc/86/99/27/574869927.db2.gz BPLXDZDKXPGRAZ-GOSISDBHSA-N 0 3 324.424 3.158 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](CCO)c2ccccc2)c([O-])c1 ZINC000740900504 574945642 /nfs/dbraw/zinc/94/56/42/574945642.db2.gz RPDWZLAXKIQZST-QGZVFWFLSA-N 0 3 301.386 3.004 20 10 DGCDHN CCN(C)c1ccc(CN2CCC(c3nc(C)no3)CC2)cc1 ZINC000741754880 574968847 /nfs/dbraw/zinc/96/88/47/574968847.db2.gz ZQUWKIGDTCFZLP-UHFFFAOYSA-N 0 3 314.433 3.214 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([O-])c1 ZINC000742376742 574994145 /nfs/dbraw/zinc/99/41/45/574994145.db2.gz FJLRSSBCZRIORU-UAGQMJEPSA-N 0 3 305.418 3.084 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1C ZINC000742367038 574992522 /nfs/dbraw/zinc/99/25/22/574992522.db2.gz GGHWUISANYWHHH-UHFFFAOYSA-N 0 3 318.461 3.136 20 10 DGCDHN CC[N@H+](CCc1cccs1)Cc1cc2c(cc1[O-])OCO2 ZINC000746070211 575430234 /nfs/dbraw/zinc/43/02/34/575430234.db2.gz HUPPXVQXPNZYEU-UHFFFAOYSA-N 0 3 305.399 3.247 20 10 DGCDHN CC[N@@H+](CCc1cccs1)Cc1cc2c(cc1[O-])OCO2 ZINC000746070211 575430235 /nfs/dbraw/zinc/43/02/35/575430235.db2.gz HUPPXVQXPNZYEU-UHFFFAOYSA-N 0 3 305.399 3.247 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c([O-])c1 ZINC000749114592 575627627 /nfs/dbraw/zinc/62/76/27/575627627.db2.gz FTKZPNAQOYUZHN-KPZWWZAWSA-N 0 3 319.376 3.142 20 10 DGCDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000749571741 575665814 /nfs/dbraw/zinc/66/58/14/575665814.db2.gz BQXPVVSQXLGAIX-GOSISDBHSA-N 0 3 317.477 3.023 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1[O-] ZINC000752264442 575829359 /nfs/dbraw/zinc/82/93/59/575829359.db2.gz DLZPWGNGITXKRC-QUJCMNEKSA-N 0 3 313.397 3.444 20 10 DGCDHN CN(Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000154468067 620679296 /nfs/dbraw/zinc/67/92/96/620679296.db2.gz HRVRHNXMEICZLG-UHFFFAOYSA-N 0 3 314.404 3.294 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241017 620681464 /nfs/dbraw/zinc/68/14/64/620681464.db2.gz RRVLWYWWCOLOOO-HIFRSBDPSA-N 0 3 306.425 3.304 20 10 DGCDHN CCOc1cccc(C[N@H+](CCN(C)C)C2CCCC2)c1[O-] ZINC000154617556 620693703 /nfs/dbraw/zinc/69/37/03/620693703.db2.gz VEPNBCHGWVLNMY-UHFFFAOYSA-N 0 3 306.450 3.097 20 10 DGCDHN CCOc1cccc(C[N@@H+](CCN(C)C)C2CCCC2)c1[O-] ZINC000154617556 620693704 /nfs/dbraw/zinc/69/37/04/620693704.db2.gz VEPNBCHGWVLNMY-UHFFFAOYSA-N 0 3 306.450 3.097 20 10 DGCDHN CCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891254286 617761242 /nfs/dbraw/zinc/76/12/42/617761242.db2.gz YDDFYPDQJUMFNP-QGZVFWFLSA-N 0 3 317.477 3.052 20 10 DGCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1(C)C ZINC000892102052 617961799 /nfs/dbraw/zinc/96/17/99/617961799.db2.gz REYOSEVFFMAJKU-HUUCEWRRSA-N 0 3 323.433 3.045 20 10 DGCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1(C)C ZINC000892102052 617961802 /nfs/dbraw/zinc/96/18/02/617961802.db2.gz REYOSEVFFMAJKU-HUUCEWRRSA-N 0 3 323.433 3.045 20 10 DGCDHN CC[C@H]([NH2+]CC12CC(C1)CN2)c1ccc(Cl)c(Cl)c1[O-] ZINC000854226603 620785921 /nfs/dbraw/zinc/78/59/21/620785921.db2.gz IRGYEZJHQPZSRT-RHJSQNMRSA-N 0 3 315.244 3.492 20 10 DGCDHN COc1ccc(CNC(C)(C)c2c(C)noc2C)c(O)c1OC ZINC000894439634 618332867 /nfs/dbraw/zinc/33/28/67/618332867.db2.gz YKFPDRLIOPDZNY-UHFFFAOYSA-N 0 3 320.389 3.039 20 10 DGCDHN COc1cc(C)cc(CN[C@H](CCO)c2ccccc2F)c1O ZINC000895086835 618534017 /nfs/dbraw/zinc/53/40/17/618534017.db2.gz WMKKCHFICGYRDT-MRXNPFEDSA-N 0 3 319.376 3.062 20 10 DGCDHN COc1ccc(CN2CC(Cc3cccs3)C2)c(O)c1OC ZINC000895661618 618813839 /nfs/dbraw/zinc/81/38/39/618813839.db2.gz HFAXHAUAQVOOQZ-UHFFFAOYSA-N 0 3 319.426 3.145 20 10 DGCDHN COc1ccc(CN2CC[C@@](C)(C(F)(F)F)C2)c(O)c1OC ZINC000895938911 618851741 /nfs/dbraw/zinc/85/17/41/618851741.db2.gz NCJKTSHOVFHOCV-CQSZACIVSA-N 0 3 319.323 3.184 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000896220306 618885300 /nfs/dbraw/zinc/88/53/00/618885300.db2.gz OZLUXUOSNHYTEH-XLIONFOSSA-N 0 3 309.409 3.101 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000896220306 618885304 /nfs/dbraw/zinc/88/53/04/618885304.db2.gz OZLUXUOSNHYTEH-XLIONFOSSA-N 0 3 309.409 3.101 20 10 DGCDHN CN(C)c1ccc(/C=C/CN2CCC[C@@H](c3ccn(C)n3)C2)cc1 ZINC000896488566 618917628 /nfs/dbraw/zinc/91/76/28/618917628.db2.gz IDISDKJYVNDMJM-MJICGBHWSA-N 0 3 324.472 3.379 20 10 DGCDHN COc1cc(O)c(CN[C@H](c2ccccn2)C2CC2)cc1OC ZINC000896613446 618934052 /nfs/dbraw/zinc/93/40/52/618934052.db2.gz XAXFNWITCPNIDO-SFHVURJKSA-N 0 3 314.385 3.045 20 10 DGCDHN C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000896737356 618951453 /nfs/dbraw/zinc/95/14/53/618951453.db2.gz RRYAZBNSYZBJSG-KSSFIOAISA-N 0 3 313.397 3.096 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000896821125 618965116 /nfs/dbraw/zinc/96/51/16/618965116.db2.gz FDQRTIYSHIKNDY-DGCLKSJQSA-N 0 3 307.287 3.121 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897269606 619040033 /nfs/dbraw/zinc/04/00/33/619040033.db2.gz KIYVAKJOZSQDJQ-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897269606 619040034 /nfs/dbraw/zinc/04/00/34/619040034.db2.gz KIYVAKJOZSQDJQ-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)c1[O-] ZINC000898422992 619274749 /nfs/dbraw/zinc/27/47/49/619274749.db2.gz PUWKXKKAXQAIEL-ABAIWWIYSA-N 0 3 313.850 3.239 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)c1[O-] ZINC000898422992 619274751 /nfs/dbraw/zinc/27/47/51/619274751.db2.gz PUWKXKKAXQAIEL-ABAIWWIYSA-N 0 3 313.850 3.239 20 10 DGCDHN CN(Cc1ccccc1O)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000901055277 619469660 /nfs/dbraw/zinc/46/96/60/619469660.db2.gz MRSSPVOHXONKTJ-UHFFFAOYSA-N 0 3 323.396 3.269 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CC[C@H]3OC)c2c1 ZINC000902639209 619660315 /nfs/dbraw/zinc/66/03/15/619660315.db2.gz PAKCXDYGFWQKMD-SJLPKXTDSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CC[C@H]3OC)c2c1 ZINC000902639209 619660316 /nfs/dbraw/zinc/66/03/16/619660316.db2.gz PAKCXDYGFWQKMD-SJLPKXTDSA-N 0 3 301.386 3.163 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCOC[C@H]2CC2CCOCC2)c1 ZINC000902670273 619662764 /nfs/dbraw/zinc/66/27/64/619662764.db2.gz NFIBMRLMDRFHJW-GOSISDBHSA-N 0 3 319.445 3.027 20 10 DGCDHN C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1cc(F)ccc1[O-] ZINC000903240028 619742673 /nfs/dbraw/zinc/74/26/73/619742673.db2.gz SSOROPMLBYSCFE-NSHDSACASA-N 0 3 324.396 3.239 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCONC(=O)OC(C)(C)C)c([O-])c1 ZINC000903239153 619742703 /nfs/dbraw/zinc/74/27/03/619742703.db2.gz JGURTGBDCWBRHV-ZDUSSCGKSA-N 0 3 324.421 3.198 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(c3ccccc3)C[C@@H](O)C1)CC2 ZINC000903269584 619749725 /nfs/dbraw/zinc/74/97/25/619749725.db2.gz BMVSZHAZKUNVIX-ZWOKBUDYSA-N 0 3 309.409 3.062 20 10 DGCDHN Cc1cc(CO)cc(C)c1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000903304012 619754152 /nfs/dbraw/zinc/75/41/52/619754152.db2.gz YFLUNIVHNIDSJA-ZDUSSCGKSA-N 0 3 303.377 3.491 20 10 DGCDHN COc1ccccc1CN(C)Cc1cc(C)cc(OC)c1O ZINC000915807962 620598702 /nfs/dbraw/zinc/59/87/02/620598702.db2.gz RUSNBQDULAXZJF-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN CN(C)c1ccc(CNCc2cn(C)nc2C2CCCC2)cc1 ZINC000921495485 620858897 /nfs/dbraw/zinc/85/88/97/620858897.db2.gz BLCKGPDOSSEECJ-UHFFFAOYSA-N 0 3 312.461 3.434 20 10 DGCDHN C[S@](=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921823031 620956323 /nfs/dbraw/zinc/95/63/23/620956323.db2.gz NTMKBQOFFBMIMG-QFIPXVFZSA-N 0 3 315.438 3.039 20 10 DGCDHN COc1ccc(N2CCCN(Cc3ccnc(C)c3)CC2)cc1 ZINC000856721173 621010362 /nfs/dbraw/zinc/01/03/62/621010362.db2.gz BSPQXQVVXYGAFL-UHFFFAOYSA-N 0 3 311.429 3.111 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2c(C)cc(CO)cc2C)c([O-])c1 ZINC000922559713 621055290 /nfs/dbraw/zinc/05/52/90/621055290.db2.gz FHGWFJHOKJTTQT-UHFFFAOYSA-N 0 3 315.413 3.190 20 10 DGCDHN Cc1nc(CCNCc2cc(F)c(N(C)C)cc2F)cs1 ZINC000858095414 621152411 /nfs/dbraw/zinc/15/24/11/621152411.db2.gz SZPQZRNVLIYWKS-UHFFFAOYSA-N 0 3 311.401 3.128 20 10 DGCDHN Cc1cnc(CCNCc2cc(F)c(N(C)C)cc2F)c(C)c1 ZINC000858186147 621162528 /nfs/dbraw/zinc/16/25/28/621162528.db2.gz RQFQQYDXRBNVQY-UHFFFAOYSA-N 0 3 319.399 3.375 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000858241489 621167092 /nfs/dbraw/zinc/16/70/92/621167092.db2.gz VSWKHSFFIFDKKY-UHFFFAOYSA-N 0 3 300.402 3.172 20 10 DGCDHN C/C=C/C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000858536024 621202640 /nfs/dbraw/zinc/20/26/40/621202640.db2.gz DAJSVQARBPQWCG-XNPJLODASA-N 0 3 300.196 3.390 20 10 DGCDHN COC1CC(C[N@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000859190063 621258878 /nfs/dbraw/zinc/25/88/78/621258878.db2.gz FAFUZUSLZCYWQO-UHFFFAOYSA-N 0 3 301.386 3.412 20 10 DGCDHN COC1CC(C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000859190063 621258882 /nfs/dbraw/zinc/25/88/82/621258882.db2.gz FAFUZUSLZCYWQO-UHFFFAOYSA-N 0 3 301.386 3.412 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c([O-])c1 ZINC000839193726 621347433 /nfs/dbraw/zinc/34/74/33/621347433.db2.gz WQPOLFFWMGSEJG-ZWKOTPCHSA-N 0 3 319.445 3.164 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c([O-])c1 ZINC000839193726 621347437 /nfs/dbraw/zinc/34/74/37/621347437.db2.gz WQPOLFFWMGSEJG-ZWKOTPCHSA-N 0 3 319.445 3.164 20 10 DGCDHN C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753571780 621450053 /nfs/dbraw/zinc/45/00/53/621450053.db2.gz XNDNPWROZYQONY-GJZGRUSLSA-N 0 3 315.413 3.220 20 10 DGCDHN COc1cccc(O)c1CN1CCN(c2ccc(C)cc2)CC1 ZINC000753575591 621450349 /nfs/dbraw/zinc/45/03/49/621450349.db2.gz IESQGRFUOLWPGQ-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1[O-] ZINC000753594395 621452625 /nfs/dbraw/zinc/45/26/25/621452625.db2.gz LRSAEGNLBDJFEG-KRWDZBQOSA-N 0 3 319.832 3.437 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@@H](CCO)CC2)cc1F ZINC000862397653 621584343 /nfs/dbraw/zinc/58/43/43/621584343.db2.gz VIOJSTLFDHMAAL-CYBMUJFWSA-N 0 3 312.404 3.015 20 10 DGCDHN C[C@H]1CC2(CN1Cc1cc(F)c(N(C)C)cc1F)CCOCC2 ZINC000862400024 621585244 /nfs/dbraw/zinc/58/52/44/621585244.db2.gz KRNXQDSTUCYBDP-ZDUSSCGKSA-N 0 3 324.415 3.422 20 10 DGCDHN O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1 ZINC000862440646 621589960 /nfs/dbraw/zinc/58/99/60/621589960.db2.gz JLYGGDRIUNZPAR-GASCZTMLSA-N 0 3 301.390 3.037 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1[O-] ZINC000862469022 621593518 /nfs/dbraw/zinc/59/35/18/621593518.db2.gz WONJLKMPBBAAPT-ZDUSSCGKSA-N 0 3 318.795 3.173 20 10 DGCDHN CC(C)CCOCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000755943561 621605652 /nfs/dbraw/zinc/60/56/52/621605652.db2.gz LJPGHLNNFJTVEA-SFHVURJKSA-N 0 3 321.461 3.436 20 10 DGCDHN CC(C)CCOCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000755943561 621605654 /nfs/dbraw/zinc/60/56/54/621605654.db2.gz LJPGHLNNFJTVEA-SFHVURJKSA-N 0 3 321.461 3.436 20 10 DGCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CN1CCCCC1 ZINC000756435033 621638375 /nfs/dbraw/zinc/63/83/75/621638375.db2.gz SXCLZDLLVZQCQL-STQMWFEESA-N 0 3 312.404 3.443 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000756457844 621639646 /nfs/dbraw/zinc/63/96/46/621639646.db2.gz RRSMEYXDMPCEFP-CHWSQXEVSA-N 0 3 301.361 3.433 20 10 DGCDHN COC1CCN(C(C)(C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000756555064 621647943 /nfs/dbraw/zinc/64/79/43/621647943.db2.gz QIPMWDQVYPCMFE-OAHLLOKOSA-N 0 3 320.477 3.241 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCOc2cccnc2)c2c1c(F)ccc2[O-] ZINC000756570955 621650315 /nfs/dbraw/zinc/65/03/15/621650315.db2.gz GWJSSXYAOHXGCL-RISCZKNCSA-N 0 3 302.349 3.143 20 10 DGCDHN Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756586716 621651043 /nfs/dbraw/zinc/65/10/43/621651043.db2.gz TXTYRWOYOQLUEI-BMIGLBTASA-N 0 3 301.365 3.358 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccsc2)c2c1c(F)ccc2[O-] ZINC000756592049 621651816 /nfs/dbraw/zinc/65/18/16/621651816.db2.gz IHKNTTLZWRIHSS-GAJTVXKRSA-N 0 3 307.390 3.464 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCNc2ccccn2)c2c1c(F)ccc2[O-] ZINC000756604881 621652306 /nfs/dbraw/zinc/65/23/06/621652306.db2.gz GVBUVLHJDWCEQP-YPMHNXCESA-N 0 3 301.365 3.176 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@]2(N(C)C)CCSC2)c2c1c(F)ccc2[O-] ZINC000756638599 621655315 /nfs/dbraw/zinc/65/53/15/621655315.db2.gz UWZGVILSYBXIRJ-CJBNDPTMSA-N 0 3 324.465 3.107 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000758507674 621785874 /nfs/dbraw/zinc/78/58/74/621785874.db2.gz WSHUKBIDQOCDFD-SFHVURJKSA-N 0 3 319.408 3.429 20 10 DGCDHN C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000760040453 621912234 /nfs/dbraw/zinc/91/22/34/621912234.db2.gz KHYRGGQCVNAZLB-IRWQIABSSA-N 0 3 315.388 3.348 20 10 DGCDHN COCCc1ncc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000865531059 621944718 /nfs/dbraw/zinc/94/47/18/621944718.db2.gz FRQIHWLZVRVVQX-CYBMUJFWSA-N 0 3 319.474 3.249 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCNc1cnccn1 ZINC000760702113 621959336 /nfs/dbraw/zinc/95/93/36/621959336.db2.gz PXHBXSINGXAPHH-UHFFFAOYSA-N 0 3 320.396 3.051 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccnc(SC)c2)c1[O-] ZINC000761215829 621994747 /nfs/dbraw/zinc/99/47/47/621994747.db2.gz JEEASWCRFGCYAD-UHFFFAOYSA-N 0 3 324.833 3.461 20 10 DGCDHN COc1cc(Cl)cc(CNCc2ccnc(SC)c2)c1O ZINC000761215829 621994750 /nfs/dbraw/zinc/99/47/50/621994750.db2.gz JEEASWCRFGCYAD-UHFFFAOYSA-N 0 3 324.833 3.461 20 10 DGCDHN CCC1(O)CCC([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000761216422 621995374 /nfs/dbraw/zinc/99/53/74/621995374.db2.gz RKKAWDWPHZAKQW-UHFFFAOYSA-N 0 3 313.825 3.228 20 10 DGCDHN Cc1ccc(C)c(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000762051046 622048806 /nfs/dbraw/zinc/04/88/06/622048806.db2.gz PNZJVOGCHKOPRX-SFHVURJKSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1ccc(C)c(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000762051046 622048808 /nfs/dbraw/zinc/04/88/08/622048808.db2.gz PNZJVOGCHKOPRX-SFHVURJKSA-N 0 3 313.397 3.067 20 10 DGCDHN CC[C@H](N[C@H](C)[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866465793 622122834 /nfs/dbraw/zinc/12/28/34/622122834.db2.gz VKIYWPRTXUYCPQ-SWHYSGLUSA-N 0 3 304.356 3.105 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCc2cn(C)c3ncccc23)c([O-])c1 ZINC000866574520 622141285 /nfs/dbraw/zinc/14/12/85/622141285.db2.gz WNBCURCTAXHYFN-AWEZNQCLSA-N 0 3 309.413 3.481 20 10 DGCDHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC12CC2 ZINC000763693144 622158571 /nfs/dbraw/zinc/15/85/71/622158571.db2.gz ZFHPFBZXESXKOA-MRXNPFEDSA-N 0 3 315.413 3.233 20 10 DGCDHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC12CC2 ZINC000763693144 622158574 /nfs/dbraw/zinc/15/85/74/622158574.db2.gz ZFHPFBZXESXKOA-MRXNPFEDSA-N 0 3 315.413 3.233 20 10 DGCDHN CCN(CC)C(=O)CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765331562 622259866 /nfs/dbraw/zinc/25/98/66/622259866.db2.gz FFBBSDAMEOPKST-MRXNPFEDSA-N 0 3 317.477 3.196 20 10 DGCDHN CC[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1CC(F)F ZINC000765718116 622283990 /nfs/dbraw/zinc/28/39/90/622283990.db2.gz WWNITSRGXWPHJG-MRXNPFEDSA-N 0 3 324.415 3.042 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000766103095 622306431 /nfs/dbraw/zinc/30/64/31/622306431.db2.gz IGVWLRBSFLOUJZ-UHFFFAOYSA-N 0 3 313.397 3.238 20 10 DGCDHN C[C@@H](O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000789758204 625562030 /nfs/dbraw/zinc/56/20/30/625562030.db2.gz QMWCONNDZTYHBP-OAHLLOKOSA-N 0 3 315.413 3.222 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c([O-])c1 ZINC000767728795 622419043 /nfs/dbraw/zinc/41/90/43/622419043.db2.gz SGSBIBNVAYHVFJ-INIZCTEOSA-N 0 3 313.397 3.144 20 10 DGCDHN C[N@H+](CCC1CCCCC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443245 622455999 /nfs/dbraw/zinc/45/59/99/622455999.db2.gz BVDSGYVSECKSHG-QGZVFWFLSA-N 0 3 305.418 3.220 20 10 DGCDHN C[N@@H+](CCC1CCCCC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443245 622456001 /nfs/dbraw/zinc/45/60/01/622456001.db2.gz BVDSGYVSECKSHG-QGZVFWFLSA-N 0 3 305.418 3.220 20 10 DGCDHN CC(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768446242 622456753 /nfs/dbraw/zinc/45/67/53/622456753.db2.gz LROPACMFOGHOBO-YOEHRIQHSA-N 0 3 319.445 3.466 20 10 DGCDHN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768446242 622456755 /nfs/dbraw/zinc/45/67/55/622456755.db2.gz LROPACMFOGHOBO-YOEHRIQHSA-N 0 3 319.445 3.466 20 10 DGCDHN C[C@@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccccc1 ZINC000768449048 622456776 /nfs/dbraw/zinc/45/67/76/622456776.db2.gz DARQYBBEQLIJHF-UGSOOPFHSA-N 0 3 313.397 3.054 20 10 DGCDHN C[C@@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccccc1 ZINC000768449048 622456777 /nfs/dbraw/zinc/45/67/77/622456777.db2.gz DARQYBBEQLIJHF-UGSOOPFHSA-N 0 3 313.397 3.054 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768465608 622457947 /nfs/dbraw/zinc/45/79/47/622457947.db2.gz IVPKJZBORJKJBV-LWLIDHTLSA-N 0 3 311.381 3.011 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768465608 622457949 /nfs/dbraw/zinc/45/79/49/622457949.db2.gz IVPKJZBORJKJBV-LWLIDHTLSA-N 0 3 311.381 3.011 20 10 DGCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768465608 622457950 /nfs/dbraw/zinc/45/79/50/622457950.db2.gz IVPKJZBORJKJBV-LWLIDHTLSA-N 0 3 311.381 3.011 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCOC1 ZINC000768542186 622463228 /nfs/dbraw/zinc/46/32/28/622463228.db2.gz OHHMBKMNSDTTGB-OAHLLOKOSA-N 0 3 301.386 3.414 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C[C@H]1CCCOC1 ZINC000768542186 622463231 /nfs/dbraw/zinc/46/32/31/622463231.db2.gz OHHMBKMNSDTTGB-OAHLLOKOSA-N 0 3 301.386 3.414 20 10 DGCDHN CCOc1ccc(O)c(CN2CCC[C@H]2c2cc(C)no2)c1 ZINC000768878545 622482876 /nfs/dbraw/zinc/48/28/76/622482876.db2.gz QRJPTNVWMXBKEY-HNNXBMFYSA-N 0 3 302.374 3.424 20 10 DGCDHN CCOc1cccc(CN2CC(c3nc4ccccc4[nH]3)C2)c1O ZINC000769479900 622532180 /nfs/dbraw/zinc/53/21/80/622532180.db2.gz JZQWVLYQIDCHSB-UHFFFAOYSA-N 0 3 323.396 3.267 20 10 DGCDHN CCN(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000769933776 622579102 /nfs/dbraw/zinc/57/91/02/622579102.db2.gz NXGKXRPFMPTORJ-UHFFFAOYSA-N 0 3 304.434 3.005 20 10 DGCDHN CCN(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000769933776 622579104 /nfs/dbraw/zinc/57/91/04/622579104.db2.gz NXGKXRPFMPTORJ-UHFFFAOYSA-N 0 3 304.434 3.005 20 10 DGCDHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC000770504545 622640271 /nfs/dbraw/zinc/64/02/71/622640271.db2.gz IZLISEHPMQFEJR-KBPBESRZSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC000770504545 622640273 /nfs/dbraw/zinc/64/02/73/622640273.db2.gz IZLISEHPMQFEJR-KBPBESRZSA-N 0 3 320.433 3.127 20 10 DGCDHN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770505343 622640349 /nfs/dbraw/zinc/64/03/49/622640349.db2.gz QTRDILGUNDVUEJ-AWEZNQCLSA-N 0 3 305.418 3.336 20 10 DGCDHN CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770505343 622640353 /nfs/dbraw/zinc/64/03/53/622640353.db2.gz QTRDILGUNDVUEJ-AWEZNQCLSA-N 0 3 305.418 3.336 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872259888 622869720 /nfs/dbraw/zinc/86/97/20/622869720.db2.gz CQVZPWVRKXKNPR-HNNXBMFYSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872259888 622869722 /nfs/dbraw/zinc/86/97/22/622869722.db2.gz CQVZPWVRKXKNPR-HNNXBMFYSA-N 0 3 305.418 3.324 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCC(C)CC1 ZINC000774483383 623151473 /nfs/dbraw/zinc/15/14/73/623151473.db2.gz KEFFLRHSIQTKHT-JKSUJKDBSA-N 0 3 317.477 3.050 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1[O-] ZINC000775156785 623235938 /nfs/dbraw/zinc/23/59/38/623235938.db2.gz HMJGIPUUEYAXJU-INIZCTEOSA-N 0 3 308.853 3.461 20 10 DGCDHN CC[C@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)c1ccccc1[O-] ZINC000775525834 623284789 /nfs/dbraw/zinc/28/47/89/623284789.db2.gz ODVWRKWAOUPCAZ-PBHICJAKSA-N 0 3 313.397 3.445 20 10 DGCDHN COc1cc(Br)cc(CN2CC[C@H]2C(C)C)c1O ZINC000775765774 623328124 /nfs/dbraw/zinc/32/81/24/623328124.db2.gz RFPCIXYWHJZALY-LBPRGKRZSA-N 0 3 314.223 3.394 20 10 DGCDHN CC(C)C[C@H](C)N(C)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775837457 623339633 /nfs/dbraw/zinc/33/96/33/623339633.db2.gz SRCBKJJVHOJDGK-JKSUJKDBSA-N 0 3 319.493 3.296 20 10 DGCDHN CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776174062 623390160 /nfs/dbraw/zinc/39/01/60/623390160.db2.gz GFVCSGLGHOILGE-CQSZACIVSA-N 0 3 316.239 3.104 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C12CCCC2 ZINC000776224261 623399523 /nfs/dbraw/zinc/39/95/23/623399523.db2.gz RQRHYIKPLUYCCL-DLBZAZTESA-N 0 3 305.418 3.228 20 10 DGCDHN COCCC(C)(C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776229752 623400030 /nfs/dbraw/zinc/40/00/30/623400030.db2.gz CRAQANSPMXYXQP-UHFFFAOYSA-N 0 3 316.239 3.368 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@]2(C)CCCOC2)c1[O-] ZINC000777507901 623532374 /nfs/dbraw/zinc/53/23/74/623532374.db2.gz RWZQZSMGUHBGAV-CQSZACIVSA-N 0 3 314.223 3.122 20 10 DGCDHN Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000876512512 623631389 /nfs/dbraw/zinc/63/13/89/623631389.db2.gz QLKWRJYKJZRXEO-HNNXBMFYSA-N 0 3 322.412 3.474 20 10 DGCDHN Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000876512512 623631390 /nfs/dbraw/zinc/63/13/90/623631390.db2.gz QLKWRJYKJZRXEO-HNNXBMFYSA-N 0 3 322.412 3.474 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c([O-])c1 ZINC000876557568 623643657 /nfs/dbraw/zinc/64/36/57/623643657.db2.gz ZJTYJXXGUDALLH-UHFFFAOYSA-N 0 3 324.424 3.095 20 10 DGCDHN Cc1ccc2nc(CNCCCSc3nccs3)cn2c1 ZINC000790544819 625668282 /nfs/dbraw/zinc/66/82/82/625668282.db2.gz RQYXNDWHKCRIAM-UHFFFAOYSA-N 0 3 318.471 3.371 20 10 DGCDHN CCCCN(C)C(=O)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876621501 623661998 /nfs/dbraw/zinc/66/19/98/623661998.db2.gz AOADSIYXDIOSOO-UHFFFAOYSA-N 0 3 318.461 3.171 20 10 DGCDHN CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876621703 623662321 /nfs/dbraw/zinc/66/23/21/623662321.db2.gz GBNHJOFHAOIEMS-UHFFFAOYSA-N 0 3 318.461 3.171 20 10 DGCDHN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779029613 623722946 /nfs/dbraw/zinc/72/29/46/623722946.db2.gz QNZFEGQRTDAALU-CYBMUJFWSA-N 0 3 323.408 3.475 20 10 DGCDHN CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779029613 623722948 /nfs/dbraw/zinc/72/29/48/623722948.db2.gz QNZFEGQRTDAALU-CYBMUJFWSA-N 0 3 323.408 3.475 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)c1[O-] ZINC000779041649 623723603 /nfs/dbraw/zinc/72/36/03/623723603.db2.gz WRWPPQMPAGQTME-ZJUUUORDSA-N 0 3 316.239 3.273 20 10 DGCDHN C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000779035402 623723815 /nfs/dbraw/zinc/72/38/15/623723815.db2.gz ZJAZMWONOHSJQV-XIKOKIGWSA-N 0 3 301.361 3.355 20 10 DGCDHN C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000779035402 623723817 /nfs/dbraw/zinc/72/38/17/623723817.db2.gz ZJAZMWONOHSJQV-XIKOKIGWSA-N 0 3 301.361 3.355 20 10 DGCDHN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000779106332 623729791 /nfs/dbraw/zinc/72/97/91/623729791.db2.gz NLQTVVRNXMLRAA-XIKOKIGWSA-N 0 3 319.376 3.406 20 10 DGCDHN COc1ccc(CCC[NH2+]Cc2ccc(C)cc2[O-])cc1OC ZINC000876985952 623759843 /nfs/dbraw/zinc/75/98/43/623759843.db2.gz XYKPLUFIZYJSIG-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN COc1ccccc1OCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877010679 623765634 /nfs/dbraw/zinc/76/56/34/623765634.db2.gz HDSNCKPUNHMJNS-UHFFFAOYSA-N 0 3 301.386 3.268 20 10 DGCDHN Cc1cc(C)nc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877114786 623793978 /nfs/dbraw/zinc/79/39/78/623793978.db2.gz BLKDFRUPHYBYJQ-UHFFFAOYSA-N 0 3 311.429 3.272 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000877130945 623799794 /nfs/dbraw/zinc/79/97/94/623799794.db2.gz VJPIMHFCFJGBIU-INIZCTEOSA-N 0 3 309.768 3.316 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000877189325 623822413 /nfs/dbraw/zinc/82/24/13/623822413.db2.gz MKWRILKFOFTHNQ-TZMCWYRMSA-N 0 3 324.415 3.413 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c([O-])c1 ZINC000877482453 623904346 /nfs/dbraw/zinc/90/43/46/623904346.db2.gz JBZFPTYPSUVLAN-INIZCTEOSA-N 0 3 309.768 3.316 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000877482057 623904661 /nfs/dbraw/zinc/90/46/61/623904661.db2.gz BLDUNSRZFFUQFF-INIZCTEOSA-N 0 3 309.768 3.316 20 10 DGCDHN CCOc1cc(F)cc(CNCc2cccc(OC)c2O)c1 ZINC000877525380 623924964 /nfs/dbraw/zinc/92/49/64/623924964.db2.gz BFBADAYYIJWWEA-UHFFFAOYSA-N 0 3 305.349 3.228 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2cnc(C)nc2C)c1 ZINC000877532044 623926924 /nfs/dbraw/zinc/92/69/24/623926924.db2.gz BYHHNRNRMUCTNS-WDEREUQCSA-N 0 3 301.390 3.219 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000877542683 623935240 /nfs/dbraw/zinc/93/52/40/623935240.db2.gz VGOYNLDQCICTFZ-HNNXBMFYSA-N 0 3 314.404 3.456 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000877545328 623936132 /nfs/dbraw/zinc/93/61/32/623936132.db2.gz FWUMHPAXPXIIJC-CQSZACIVSA-N 0 3 300.377 3.208 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000877562212 623942392 /nfs/dbraw/zinc/94/23/92/623942392.db2.gz XFTMYGILLVNLQX-CHWSQXEVSA-N 0 3 308.422 3.092 20 10 DGCDHN CC[C@H](C[NH2+]Cc1ccc(C)cc1[O-])NC(=O)OC(C)(C)C ZINC000877561896 623942449 /nfs/dbraw/zinc/94/24/49/623942449.db2.gz MYGLXOYRHGTHBF-CQSZACIVSA-N 0 3 308.422 3.094 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000877562215 623942607 /nfs/dbraw/zinc/94/26/07/623942607.db2.gz XFTMYGILLVNLQX-STQMWFEESA-N 0 3 308.422 3.092 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(OCCOC(C)C)CC1 ZINC000877575282 623949101 /nfs/dbraw/zinc/94/91/01/623949101.db2.gz MVKNSQCCRUGFJT-UHFFFAOYSA-N 0 3 307.434 3.107 20 10 DGCDHN Cc1ccc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000877577585 623950364 /nfs/dbraw/zinc/95/03/64/623950364.db2.gz YVPLFNKRHHAXNM-UHFFFAOYSA-N 0 3 316.367 3.159 20 10 DGCDHN Cc1ccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000877577585 623950368 /nfs/dbraw/zinc/95/03/68/623950368.db2.gz YVPLFNKRHHAXNM-UHFFFAOYSA-N 0 3 316.367 3.159 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000877592355 623954853 /nfs/dbraw/zinc/95/48/53/623954853.db2.gz GKJZIEUFARAXPB-HNNXBMFYSA-N 0 3 300.377 3.208 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000877593610 623955664 /nfs/dbraw/zinc/95/56/64/623955664.db2.gz WYAOAXWBKIRSGP-INIZCTEOSA-N 0 3 300.377 3.208 20 10 DGCDHN CCc1cccc(CN(C)Cc2c(C)nn(CC)c2C)c1O ZINC000877664377 623983707 /nfs/dbraw/zinc/98/37/07/623983707.db2.gz PHTHEEHGBLGNKJ-UHFFFAOYSA-N 0 3 301.434 3.420 20 10 DGCDHN CN(C)c1ccc(CN2Cc3cccnc3N3CCC[C@@H]3C2)cc1 ZINC000877715872 624003374 /nfs/dbraw/zinc/00/33/74/624003374.db2.gz KZWDVSIIAWYPGB-LJQANCHMSA-N 0 3 322.456 3.132 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C[C@@H]1C ZINC000877755517 624021688 /nfs/dbraw/zinc/02/16/88/624021688.db2.gz CZOWFVNGMCHQJQ-LJISPDSOSA-N 0 3 305.418 3.411 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000877757123 624023369 /nfs/dbraw/zinc/02/33/69/624023369.db2.gz ICFXUIDXHGFIQV-ZDUSSCGKSA-N 0 3 310.397 3.135 20 10 DGCDHN CCc1oc(CN[C@@H](C)c2ccccc2O)cc1C(=O)OC ZINC000877758068 624023936 /nfs/dbraw/zinc/02/39/36/624023936.db2.gz HSALYFAFVYHNNZ-NSHDSACASA-N 0 3 303.358 3.185 20 10 DGCDHN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000877777981 624033695 /nfs/dbraw/zinc/03/36/95/624033695.db2.gz HZESOYBDNAYMRR-MFKMUULPSA-N 0 3 316.239 3.102 20 10 DGCDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000781895918 624166728 /nfs/dbraw/zinc/16/67/28/624166728.db2.gz YWWIQCGKXXFBGE-CYBMUJFWSA-N 0 3 310.397 3.431 20 10 DGCDHN COc1cc(C)c(CN(C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000781901410 624168167 /nfs/dbraw/zinc/16/81/67/624168167.db2.gz SIKUZARRVQCHJO-UHFFFAOYSA-N 0 3 313.445 3.405 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CO1)CCOCC2 ZINC000878150855 624190648 /nfs/dbraw/zinc/19/06/48/624190648.db2.gz JQVLQIBRIAQAEO-KRWDZBQOSA-N 0 3 319.445 3.190 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CO1)CCOCC2 ZINC000878150855 624190649 /nfs/dbraw/zinc/19/06/49/624190649.db2.gz JQVLQIBRIAQAEO-KRWDZBQOSA-N 0 3 319.445 3.190 20 10 DGCDHN COc1cc(C)cc(CN2Cc3ccccc3OC[C@H]2C)c1O ZINC000782286041 624233074 /nfs/dbraw/zinc/23/30/74/624233074.db2.gz BPXGKVOGYFGZFT-CQSZACIVSA-N 0 3 313.397 3.492 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC1(O)CCCC1 ZINC000878565534 624309678 /nfs/dbraw/zinc/30/96/78/624309678.db2.gz OWVBHDUPHGPETN-QGZVFWFLSA-N 0 3 321.461 3.050 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC1(O)CCCC1 ZINC000878565534 624309681 /nfs/dbraw/zinc/30/96/81/624309681.db2.gz OWVBHDUPHGPETN-QGZVFWFLSA-N 0 3 321.461 3.050 20 10 DGCDHN CCOc1ccc(CN2CCc3c(cccc3OC)C2)c(O)c1 ZINC000783594283 624372452 /nfs/dbraw/zinc/37/24/52/624372452.db2.gz FPYSEGQYTRLPAX-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN CCOc1cccc(CN[C@H](C)c2cc(OC)ccc2O)n1 ZINC000784265521 624468078 /nfs/dbraw/zinc/46/80/78/624468078.db2.gz KLVCZJQENBEDLY-GFCCVEGCSA-N 0 3 302.374 3.045 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879648513 624621145 /nfs/dbraw/zinc/62/11/45/624621145.db2.gz RRZVNLWXYBDNPS-LZWOXQAQSA-N 0 3 304.434 3.080 20 10 DGCDHN CCc1oc(C(=O)OC)cc1CN[C@H](C)c1ccccc1O ZINC000879648175 624621306 /nfs/dbraw/zinc/62/13/06/624621306.db2.gz BRKDCHWABNZWGH-LLVKDONJSA-N 0 3 303.358 3.185 20 10 DGCDHN CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648175 624621310 /nfs/dbraw/zinc/62/13/10/624621310.db2.gz BRKDCHWABNZWGH-LLVKDONJSA-N 0 3 303.358 3.185 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccccc1[O-] ZINC000879648164 624621414 /nfs/dbraw/zinc/62/14/14/624621414.db2.gz AOTGOOWKNDMBML-MNOVXSKESA-N 0 3 319.792 3.118 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC000879649165 624622719 /nfs/dbraw/zinc/62/27/19/624622719.db2.gz KBBIKOKXJJCUHR-HZPDHXFCSA-N 0 3 324.424 3.205 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CN(C2CCCCC2)C(=O)O1)c1ccccc1[O-] ZINC000879650311 624624051 /nfs/dbraw/zinc/62/40/51/624624051.db2.gz SVNGJWLTQYWAIL-UKRRQHHQSA-N 0 3 318.417 3.196 20 10 DGCDHN C[C@H]([NH2+]CCCn1c(=O)[nH]c2ccccc21)c1ccccc1[O-] ZINC000879651438 624624327 /nfs/dbraw/zinc/62/43/27/624624327.db2.gz VRVPXJXFDFDJLE-ZDUSSCGKSA-N 0 3 311.385 3.188 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCCc2ccccc21 ZINC000879652008 624624537 /nfs/dbraw/zinc/62/45/37/624624537.db2.gz SWXCBDMROIEUPZ-LSDHHAIUSA-N 0 3 324.424 3.411 20 10 DGCDHN C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1ccccc1[O-] ZINC000879650999 624624573 /nfs/dbraw/zinc/62/45/73/624624573.db2.gz CSROGGQQFUJDBS-HNNXBMFYSA-N 0 3 324.424 3.238 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCc2ccccc2C1 ZINC000879652375 624626792 /nfs/dbraw/zinc/62/67/92/624626792.db2.gz ZMQJLCVOWTUUQA-GJZGRUSLSA-N 0 3 324.424 3.016 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000879653989 624626866 /nfs/dbraw/zinc/62/68/66/624626866.db2.gz ZXCQMSJMXKTYFX-AJNGGQMLSA-N 0 3 304.434 3.221 20 10 DGCDHN CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccnn1C ZINC000788257567 625105458 /nfs/dbraw/zinc/10/54/58/625105458.db2.gz AHHXEVZGESLKGL-DOMZBBRYSA-N 0 3 305.397 3.355 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000791000405 625734409 /nfs/dbraw/zinc/73/44/09/625734409.db2.gz USKYTQSNPUSLOA-UHFFFAOYSA-N 0 3 316.357 3.297 20 10 DGCDHN CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000797020636 626104914 /nfs/dbraw/zinc/10/49/14/626104914.db2.gz WMFNZMQCOSMQSU-SGTLLEGYSA-N 0 3 303.377 3.478 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c([O-])c1 ZINC000797134654 626117365 /nfs/dbraw/zinc/11/73/65/626117365.db2.gz VJQXCGUMMNGERB-JLCFBVMHSA-N 0 3 317.454 3.430 20 10 DGCDHN COc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1C ZINC000799343904 626293333 /nfs/dbraw/zinc/29/33/33/626293333.db2.gz OYTZUJSSHJGLEV-FQEVSTJZSA-N 0 3 311.425 3.317 20 10 DGCDHN C[C@@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)c1ccccc1[O-] ZINC000800503881 626365168 /nfs/dbraw/zinc/36/51/68/626365168.db2.gz ALHLIFQXVHHERF-CJTWTEFWSA-N 0 3 324.424 3.263 20 10 DGCDHN COc1ccc(N2CCN(CCSC(C)(C)C)CC2)cc1 ZINC000801911216 626424997 /nfs/dbraw/zinc/42/49/97/626424997.db2.gz VTSZGWDIIJOPEF-UHFFFAOYSA-N 0 3 308.491 3.349 20 10 DGCDHN COc1cccc(O)c1CN1CC[C@@](F)(c2ccccc2)C1 ZINC000802656656 626565472 /nfs/dbraw/zinc/56/54/72/626565472.db2.gz NPYBILXQZVGYPS-SFHVURJKSA-N 0 3 301.361 3.472 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1[O-] ZINC000883263073 626627952 /nfs/dbraw/zinc/62/79/52/626627952.db2.gz GEFWILZLKFFQBX-DZGCQCFKSA-N 0 3 323.408 3.158 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccoc2)c2c1c(F)ccc2[O-] ZINC000883276985 626633865 /nfs/dbraw/zinc/63/38/65/626633865.db2.gz SELNELLLGWSGNY-KYOSRNDESA-N 0 3 319.376 3.113 20 10 DGCDHN C[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)OCCc2ccccc21 ZINC000883341693 626654031 /nfs/dbraw/zinc/65/40/31/626654031.db2.gz XRMBXODZHOHENJ-YLJYHZDGSA-N 0 3 309.409 3.457 20 10 DGCDHN C[NH+](C)CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000132791247 626740927 /nfs/dbraw/zinc/74/09/27/626740927.db2.gz PNCGZWSEGZQMNL-UHFFFAOYSA-N 0 3 317.260 3.473 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(C(N)=O)c2)c1[O-] ZINC000808674737 626848296 /nfs/dbraw/zinc/84/82/96/626848296.db2.gz XNHJUXLDUJFDQF-LLVKDONJSA-N 0 3 318.804 3.304 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1[O-] ZINC000808679314 626848630 /nfs/dbraw/zinc/84/86/30/626848630.db2.gz KSFNYWHHWBNIRS-NEPJUHHUSA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1noc(CCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000808705217 626851932 /nfs/dbraw/zinc/85/19/32/626851932.db2.gz BJNDRIVUUYRBGY-SNVBAGLBSA-N 0 3 309.797 3.329 20 10 DGCDHN CC(C)(CO)[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000809656267 626933950 /nfs/dbraw/zinc/93/39/50/626933950.db2.gz YYBQPGJVSNXDRH-QGZVFWFLSA-N 0 3 303.377 3.381 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](CC2CCC2)[C@H](C)CO)c1[O-] ZINC000809665495 626934770 /nfs/dbraw/zinc/93/47/70/626934770.db2.gz VBXLBXRSYJEAHY-LLVKDONJSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1[O-] ZINC000809665495 626934771 /nfs/dbraw/zinc/93/47/71/626934771.db2.gz VBXLBXRSYJEAHY-LLVKDONJSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2ccccc2O)c(F)c1OC ZINC000886186290 627118792 /nfs/dbraw/zinc/11/87/92/627118792.db2.gz USDQAHDGGGMRIS-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN C[C@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000886708669 627195431 /nfs/dbraw/zinc/19/54/31/627195431.db2.gz ADYDFCHCGVOOLE-JKSUJKDBSA-N 0 3 319.445 3.409 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c([O-])c1 ZINC000886772527 627203165 /nfs/dbraw/zinc/20/31/65/627203165.db2.gz ZVEKBLYLEWEAPL-NTODXPRQSA-N 0 3 319.445 3.324 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c([O-])c1 ZINC000886772529 627203213 /nfs/dbraw/zinc/20/32/13/627203213.db2.gz ZVEKBLYLEWEAPL-XZLOLGPPSA-N 0 3 319.445 3.324 20 10 DGCDHN COc1cc(C)cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000811781143 627321496 /nfs/dbraw/zinc/32/14/96/627321496.db2.gz YYTZGTAXFNGBIV-RHSMWYFYSA-N 0 3 305.418 3.099 20 10 DGCDHN COc1cc(C)cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000811781145 627321751 /nfs/dbraw/zinc/32/17/51/627321751.db2.gz YYTZGTAXFNGBIV-WMLDXEAASA-N 0 3 305.418 3.099 20 10 DGCDHN C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1[O-] ZINC000813882674 627518981 /nfs/dbraw/zinc/51/89/81/627518981.db2.gz GVEULVMDHSDYQL-ZDUSSCGKSA-N 0 3 308.381 3.095 20 10 DGCDHN CN1C[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000814172898 627546650 /nfs/dbraw/zinc/54/66/50/627546650.db2.gz CUFPUAUJNNVWDJ-IEBWSBKVSA-N 0 3 308.425 3.195 20 10 DGCDHN CN1C[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])[C@@H]2C1 ZINC000814172898 627546653 /nfs/dbraw/zinc/54/66/53/627546653.db2.gz CUFPUAUJNNVWDJ-IEBWSBKVSA-N 0 3 308.425 3.195 20 10 DGCDHN Cc1ccsc1[C@@H](CO)NCc1ccc(N(C)C)c(C)c1 ZINC000815096228 627625926 /nfs/dbraw/zinc/62/59/26/627625926.db2.gz ZAPGXFRGRYQTQV-OAHLLOKOSA-N 0 3 304.459 3.254 20 10 DGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(CO)CC1 ZINC000815585412 627687766 /nfs/dbraw/zinc/68/77/66/627687766.db2.gz HCRNRJYMQRPVBS-SFHVURJKSA-N 0 3 311.425 3.428 20 10 DGCDHN C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CN(C)C ZINC000815627810 627693041 /nfs/dbraw/zinc/69/30/41/627693041.db2.gz KEFQACVOZNQIIL-MNOVXSKESA-N 0 3 304.356 3.259 20 10 DGCDHN COc1ccncc1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000815629235 627693112 /nfs/dbraw/zinc/69/31/12/627693112.db2.gz XSXQTWKWHNJKTA-GXFFZTMASA-N 0 3 302.349 3.273 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2[O-])[C@H]1n1cccn1 ZINC000815659380 627695980 /nfs/dbraw/zinc/69/59/80/627695980.db2.gz AFYDAPWLTAHDGY-CWLKWCNXSA-N 0 3 315.417 3.048 20 10 DGCDHN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CN1CCCC1 ZINC000816536443 627804277 /nfs/dbraw/zinc/80/42/77/627804277.db2.gz XVXXOJLKGWSXMW-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN COC[C@@H]1CCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000816636610 627817109 /nfs/dbraw/zinc/81/71/09/627817109.db2.gz CBQHKSVKPQGYNN-FQEVSTJZSA-N 0 3 322.452 3.470 20 10 DGCDHN CC[C@H]([NH2+]C1CCNCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817936892 627966812 /nfs/dbraw/zinc/96/68/12/627966812.db2.gz SBKGMKGNSWERBV-ZDUSSCGKSA-N 0 3 303.233 3.492 20 10 DGCDHN CC(C)C[C@H](CN)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000817957558 627974787 /nfs/dbraw/zinc/97/47/87/627974787.db2.gz CVYPMLZFZYGNAD-ZYHUDNBSSA-N 0 3 315.255 3.179 20 10 DGCDHN CC(C)C[C@H](CN)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817958979 627975199 /nfs/dbraw/zinc/97/51/99/627975199.db2.gz NXWHBGMXNOMAQD-CMPLNLGQSA-N 0 3 315.255 3.179 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970786 627980245 /nfs/dbraw/zinc/98/02/45/627980245.db2.gz FGLPYRMPUWVQGA-AUTRQRHGSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCCCNC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983692 627983850 /nfs/dbraw/zinc/98/38/50/627983850.db2.gz IHXVKPAZGJUPPT-GHMZBOCLSA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983692 627983852 /nfs/dbraw/zinc/98/38/52/627983852.db2.gz IHXVKPAZGJUPPT-GHMZBOCLSA-N 0 3 302.340 3.204 20 10 DGCDHN COc1ccc(N2CC[C@@H](CNCc3csc(C)n3)C2)cc1 ZINC000818220355 628005956 /nfs/dbraw/zinc/00/59/56/628005956.db2.gz JQJVKLXJWVMFHK-AWEZNQCLSA-N 0 3 317.458 3.076 20 10 DGCDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3nccs3)C2)cc1 ZINC000818343223 628015959 /nfs/dbraw/zinc/01/59/59/628015959.db2.gz ZRHUJVOSQBDAIY-UONOGXRCSA-N 0 3 317.458 3.329 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1[O-] ZINC000825104256 628727917 /nfs/dbraw/zinc/72/79/17/628727917.db2.gz SCXGJLZVQBKGLU-HOTGVXAUSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1[O-] ZINC000825104256 628727919 /nfs/dbraw/zinc/72/79/19/628727919.db2.gz SCXGJLZVQBKGLU-HOTGVXAUSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(C[NH2+]C2CCC(OC(F)F)CC2)c([O-])c1 ZINC000825143529 628732353 /nfs/dbraw/zinc/73/23/53/628732353.db2.gz FWZZKTFQTDGSCE-UHFFFAOYSA-N 0 3 315.360 3.431 20 10 DGCDHN Cc1nccn1CCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297960 628747335 /nfs/dbraw/zinc/74/73/35/628747335.db2.gz QOKLEWPSCAJBEU-UHFFFAOYSA-N 0 3 307.825 3.429 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)c2ccccn2)c1[O-] ZINC000826802342 628888586 /nfs/dbraw/zinc/88/85/86/628888586.db2.gz DTRRNQISELEFFX-LLVKDONJSA-N 0 3 306.793 3.343 20 10 DGCDHN CCc1cccc(CN[C@H](COC)c2cccc(OC)c2)c1O ZINC000827012525 628912589 /nfs/dbraw/zinc/91/25/89/628912589.db2.gz ZVZNJJRRZHANNA-GOSISDBHSA-N 0 3 315.413 3.441 20 10 DGCDHN CCN(CC)c1ccc(CN2C[C@H](C)C(O)[C@@H](C)C2)cc1F ZINC000827151572 628928819 /nfs/dbraw/zinc/92/88/19/628928819.db2.gz FYRMKHZBCHKSTQ-KBPBESRZSA-N 0 3 308.441 3.121 20 10 DGCDHN CCN(CC)c1ccc(CN2C[C@@H](C)C(O)[C@H](C)C2)cc1F ZINC000827151574 628929215 /nfs/dbraw/zinc/92/92/15/628929215.db2.gz FYRMKHZBCHKSTQ-ZIAGYGMSSA-N 0 3 308.441 3.121 20 10 DGCDHN O=[N+]([O-])c1cc(CN2CC[C@H]3C[C@H]3C2)ccc1N1CCCCC1 ZINC000827507011 628965910 /nfs/dbraw/zinc/96/59/10/628965910.db2.gz RBJFPPPUDLILIG-HOTGVXAUSA-N 0 3 315.417 3.427 20 10 DGCDHN COc1cccc(O)c1CN[C@H](c1ccccc1)[C@H](O)C(C)C ZINC000827526142 628967807 /nfs/dbraw/zinc/96/78/07/628967807.db2.gz HKXBEHODUBRKQR-RTBURBONSA-N 0 3 315.413 3.249 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@H](c1ccccc1)[C@H](O)C(C)C ZINC000827526142 628967808 /nfs/dbraw/zinc/96/78/08/628967808.db2.gz HKXBEHODUBRKQR-RTBURBONSA-N 0 3 315.413 3.249 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCC[C@@H]1CCOC1)C[C@H]1CCCO1 ZINC000828062137 629019780 /nfs/dbraw/zinc/01/97/80/629019780.db2.gz BYIDBXQDPYGAFE-SJLPKXTDSA-N 0 3 319.445 3.190 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCC[C@@H]1CCOC1)C[C@H]1CCCO1 ZINC000828062137 629019783 /nfs/dbraw/zinc/01/97/83/629019783.db2.gz BYIDBXQDPYGAFE-SJLPKXTDSA-N 0 3 319.445 3.190 20 10 DGCDHN CN(C(=O)c1cc([O-])cs1)C(C)(C)C[NH+]1CCCCCC1 ZINC000832517590 629493297 /nfs/dbraw/zinc/49/32/97/629493297.db2.gz NKIJMSHQIWEHDJ-UHFFFAOYSA-N 0 3 310.463 3.180 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)CC2 ZINC000834541565 629723749 /nfs/dbraw/zinc/72/37/49/629723749.db2.gz YWPDZBIDCCJGMV-KRWDZBQOSA-N 0 3 324.424 3.006 20 10 DGCDHN CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC000834692670 629759072 /nfs/dbraw/zinc/75/90/72/629759072.db2.gz GVEYPYHUVFAAHH-DLBZAZTESA-N 0 3 322.408 3.467 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(-n2ccnn2)cc1 ZINC000834694168 629759199 /nfs/dbraw/zinc/75/91/99/629759199.db2.gz UWEFRJLHFYNUPF-GUYCJALGSA-N 0 3 320.396 3.311 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(-n2ccnn2)cc1 ZINC000834694169 629759209 /nfs/dbraw/zinc/75/92/09/629759209.db2.gz UWEFRJLHFYNUPF-SUMWQHHRSA-N 0 3 320.396 3.311 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)CC2 ZINC000834697185 629760094 /nfs/dbraw/zinc/76/00/94/629760094.db2.gz HBUUCTSCBAYXJN-UNIGVISCSA-N 0 3 307.484 3.349 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1(c3ccc4c(c3)OCO4)CC1)CC2 ZINC000834729196 629767811 /nfs/dbraw/zinc/76/78/11/629767811.db2.gz ATDDHJOFROLWEQ-AWEZNQCLSA-N 0 3 309.365 3.387 20 10 DGCDHN COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834761965 629774648 /nfs/dbraw/zinc/77/46/48/629774648.db2.gz WLKBWKVIZWWGOX-GDBMZVCRSA-N 0 3 301.386 3.210 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000834828373 629785504 /nfs/dbraw/zinc/78/55/04/629785504.db2.gz SINYZIFLFYPPSS-WMZOPIPTSA-N 0 3 317.404 3.484 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)[C@@H](O)C(F)F ZINC000834875505 629795266 /nfs/dbraw/zinc/79/52/66/629795266.db2.gz QBVGVDJPIPGKHC-ZIMMKZDOSA-N 0 3 303.324 3.074 20 10 DGCDHN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834903650 629804126 /nfs/dbraw/zinc/80/41/26/629804126.db2.gz KBFQZBUYLKTWSD-ATZDWAIDSA-N 0 3 318.461 3.131 20 10 DGCDHN Cc1cnc(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cn1 ZINC000834908694 629806238 /nfs/dbraw/zinc/80/62/38/629806238.db2.gz LGYCYWDQSMMROV-YGRLFVJLSA-N 0 3 301.365 3.010 20 10 DGCDHN CC[C@@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC ZINC000834909756 629806786 /nfs/dbraw/zinc/80/67/86/629806786.db2.gz ATGNGCNLOXEEJI-CRAIPNDOSA-N 0 3 317.477 3.242 20 10 DGCDHN CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@@H](O)C(F)(F)F ZINC000835042044 629833046 /nfs/dbraw/zinc/83/30/46/629833046.db2.gz QJTPLVSVVJDIEX-RWCKICOTSA-N 0 3 316.367 3.057 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](C)O2)c1[O-] ZINC000835085970 629847565 /nfs/dbraw/zinc/84/75/65/629847565.db2.gz ADWVOYQVHJAYNT-GXFFZTMASA-N 0 3 314.223 3.120 20 10 DGCDHN C[C@@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1ccccc1[O-] ZINC000840862783 630368929 /nfs/dbraw/zinc/36/89/29/630368929.db2.gz IEXGTHVADSGDEB-HIFRSBDPSA-N 0 3 314.385 3.163 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000840892594 630373595 /nfs/dbraw/zinc/37/35/95/630373595.db2.gz BKOGXSSGPWBYGV-RLFYNMQTSA-N 0 3 312.461 3.484 20 10 DGCDHN CN(C)c1ccc(CN2CCC(c3ccncn3)CC2)cc1F ZINC000840953537 630384209 /nfs/dbraw/zinc/38/42/09/630384209.db2.gz TYNGLTNNWXVIHY-UHFFFAOYSA-N 0 3 314.408 3.061 20 10 DGCDHN CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000840974723 630389285 /nfs/dbraw/zinc/38/92/85/630389285.db2.gz NPASRXNIHKVXJF-AWEZNQCLSA-N 0 3 312.413 3.062 20 10 DGCDHN [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H]1c1ccccc1F ZINC000841102975 630408666 /nfs/dbraw/zinc/40/86/66/630408666.db2.gz BBMVDOJFTZAENP-GOEBONIOSA-N 0 3 320.795 3.111 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1[O-] ZINC000841761733 630463295 /nfs/dbraw/zinc/46/32/95/630463295.db2.gz KLNYNFXAJKXEAT-CMPLNLGQSA-N 0 3 318.795 3.344 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000842622192 630555264 /nfs/dbraw/zinc/55/52/64/630555264.db2.gz GRHZKRQZAWMPNS-GOSISDBHSA-N 0 3 315.438 3.253 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000842622192 630555266 /nfs/dbraw/zinc/55/52/66/630555266.db2.gz GRHZKRQZAWMPNS-GOSISDBHSA-N 0 3 315.438 3.253 20 10 DGCDHN Cc1cc(O)c(CN[C@H](CCO)c2ccccc2F)cc1C ZINC000842763960 630573197 /nfs/dbraw/zinc/57/31/97/630573197.db2.gz PLEBAYCJCVFSJK-QGZVFWFLSA-N 0 3 303.377 3.361 20 10 DGCDHN CCOc1ccc(CN[C@H](CCO)c2ccccc2F)c(O)c1 ZINC000842763582 630573579 /nfs/dbraw/zinc/57/35/79/630573579.db2.gz OGCYVDSTVCNGLL-QGZVFWFLSA-N 0 3 319.376 3.143 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)c1[O-] ZINC000842930718 630595077 /nfs/dbraw/zinc/59/50/77/630595077.db2.gz ZOBZFXQAQMPVIH-NHCYSSNCSA-N 0 3 314.223 3.291 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045986 630608208 /nfs/dbraw/zinc/60/82/08/630608208.db2.gz SACSSDKKCSADLR-BBRMVZONSA-N 0 3 308.853 3.318 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(N)nc1 ZINC000843059508 630609882 /nfs/dbraw/zinc/60/98/82/630609882.db2.gz NILUNWQNDDKQRW-UHFFFAOYSA-N 0 3 310.445 3.286 20 10 DGCDHN [NH3+]CCN(CCc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000843121941 630615565 /nfs/dbraw/zinc/61/55/65/630615565.db2.gz MBMYCDQTACWEFO-UHFFFAOYSA-N 0 3 304.821 3.049 20 10 DGCDHN COc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)c(O)c(C(C)(C)C)c1 ZINC000844752567 630835907 /nfs/dbraw/zinc/83/59/07/630835907.db2.gz OVEWYMHNHPWSJF-OKILXGFUSA-N 0 3 311.372 3.395 20 10 DGCDHN C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]1CC[NH3+] ZINC000844902100 630970664 /nfs/dbraw/zinc/97/06/64/630970664.db2.gz NKKKRONGSYQLHW-IINYFYTJSA-N 0 3 300.805 3.134 20 10 DGCDHN CC[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccccc1[O-] ZINC000846012374 631205947 /nfs/dbraw/zinc/20/59/47/631205947.db2.gz YXGTUBBNQRGTIN-ICSRJNTNSA-N 0 3 311.425 3.309 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000846039243 631207559 /nfs/dbraw/zinc/20/75/59/631207559.db2.gz PZRPHYZVIJPBKZ-AUUYWEPGSA-N 0 3 315.413 3.177 20 10 DGCDHN COc1cccc([C@@H](C)N[C@H](C)c2ccncc2OC)c1O ZINC000846164107 631212999 /nfs/dbraw/zinc/21/29/99/631212999.db2.gz MQAOFTAQKAMFFG-VXGBXAGGSA-N 0 3 302.374 3.216 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@](C)(O)c1ccccc1 ZINC000846186534 631214155 /nfs/dbraw/zinc/21/41/55/631214155.db2.gz GXHFRWCPCPPBRF-JCGVRSQUSA-N 0 3 303.377 3.478 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C2CCC2)c1[O-] ZINC000848534394 631681847 /nfs/dbraw/zinc/68/18/47/631681847.db2.gz PKRKGBBSGWVBTR-QMMMGPOBSA-N 0 3 300.196 3.366 20 10 DGCDHN CCOCc1cc(CNCc2cccc(N)c2)ccc1OC ZINC000849350217 631900256 /nfs/dbraw/zinc/90/02/56/631900256.db2.gz MGBPLXKALWGGFJ-UHFFFAOYSA-N 0 3 300.402 3.104 20 10 DGCDHN CC(C)(C)[N@@H+]1CC[C@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000850351930 632121898 /nfs/dbraw/zinc/12/18/98/632121898.db2.gz XISIXWGMWZLNSP-JTQLQIEISA-N 0 3 300.805 3.147 20 10 DGCDHN CC(C)(C)[N@H+]1CC[C@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000850351930 632121899 /nfs/dbraw/zinc/12/18/99/632121899.db2.gz XISIXWGMWZLNSP-JTQLQIEISA-N 0 3 300.805 3.147 20 10 DGCDHN COc1ccc(N2CC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)cc1 ZINC000850486510 632167647 /nfs/dbraw/zinc/16/76/47/632167647.db2.gz IFHIQMORYNPHCY-YJBOKZPZSA-N 0 3 324.424 3.257 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)c2c1c(F)ccc2[O-] ZINC000850535599 632184793 /nfs/dbraw/zinc/18/47/93/632184793.db2.gz XRRHKDLLUYEDOC-IINYFYTJSA-N 0 3 315.392 3.480 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c([O-])c1 ZINC000850573905 632199223 /nfs/dbraw/zinc/19/92/23/632199223.db2.gz STPSBAAEZQTJBF-HNNXBMFYSA-N 0 3 318.461 3.486 20 10 DGCDHN CC[C@@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccccc1[O-] ZINC000185212117 660208353 /nfs/dbraw/zinc/20/83/53/660208353.db2.gz VFMDILRSXRHHCX-QGZVFWFLSA-N 0 3 312.413 3.035 20 10 DGCDHN C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc(F)ccc1[O-] ZINC000186478542 660446666 /nfs/dbraw/zinc/44/66/66/660446666.db2.gz SGXYKLWAJXZIAW-GFCCVEGCSA-N 0 3 313.376 3.311 20 10 DGCDHN Cc1cc(F)ccc1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000792707522 660981004 /nfs/dbraw/zinc/98/10/04/660981004.db2.gz OXLCPGGDIHFSSM-UHFFFAOYSA-N 0 3 303.333 3.200 20 10 DGCDHN COc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000793232572 661015726 /nfs/dbraw/zinc/01/57/26/661015726.db2.gz YUPALNDFGJAHJW-GXSJLCMTSA-N 0 3 319.323 3.182 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)c([O-])c1 ZINC000793386229 661029372 /nfs/dbraw/zinc/02/93/72/661029372.db2.gz JGASUQPXCBJPAH-UHFFFAOYSA-N 0 3 316.382 3.407 20 10 DGCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCOC3)C2)cc1C(C)C ZINC000794707406 661100097 /nfs/dbraw/zinc/10/00/97/661100097.db2.gz RWIORVCONDVEOQ-HNAYVOBHSA-N 0 3 319.445 3.204 20 10 DGCDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1C(C)C ZINC000794707404 661100467 /nfs/dbraw/zinc/10/04/67/661100467.db2.gz RWIORVCONDVEOQ-BEFAXECRSA-N 0 3 319.445 3.204 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1[O-] ZINC000794791926 661105217 /nfs/dbraw/zinc/10/52/17/661105217.db2.gz CQBMMUKKBFGFRA-AEFFLSMTSA-N 0 3 320.477 3.098 20 10 DGCDHN CC[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794799938 661105584 /nfs/dbraw/zinc/10/55/84/661105584.db2.gz ALNYXDJKTDXQKG-SFHVURJKSA-N 0 3 311.425 3.271 20 10 DGCDHN CC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794818596 661106995 /nfs/dbraw/zinc/10/69/95/661106995.db2.gz VRGOKIYMONDCNP-WMZOPIPTSA-N 0 3 317.404 3.484 20 10 DGCDHN CC[C@H]([NH2+]Cc1cccn(CC)c1=O)c1ccc(C)cc1[O-] ZINC000794829985 661107875 /nfs/dbraw/zinc/10/78/75/661107875.db2.gz XAFHMNNLZGJEKB-INIZCTEOSA-N 0 3 300.402 3.123 20 10 DGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1[O-] ZINC000091859391 655846680 /nfs/dbraw/zinc/84/66/80/655846680.db2.gz KHKWTVBPNFIPAH-NXEZZACHSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1[O-] ZINC000091859391 655846682 /nfs/dbraw/zinc/84/66/82/655846682.db2.gz KHKWTVBPNFIPAH-NXEZZACHSA-N 0 3 314.223 3.394 20 10 DGCDHN C[C@@H](NCC1(C)OCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000179575492 655909117 /nfs/dbraw/zinc/90/91/17/655909117.db2.gz LEJLTWJKCRMSNU-MRXNPFEDSA-N 0 3 318.461 3.481 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cc(F)ccc1[O-] ZINC000176980938 655970447 /nfs/dbraw/zinc/97/04/47/655970447.db2.gz GQEFORNBWIUFFB-GUYCJALGSA-N 0 3 302.393 3.485 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000716181097 661219639 /nfs/dbraw/zinc/21/96/39/661219639.db2.gz XSBMPXXFEYFZSO-YOEHRIQHSA-N 0 3 314.404 3.456 20 10 DGCDHN COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000186764993 656133684 /nfs/dbraw/zinc/13/36/84/656133684.db2.gz YNCCISSTZGQUHU-ZIAGYGMSSA-N 0 3 320.433 3.218 20 10 DGCDHN Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000191585635 656170826 /nfs/dbraw/zinc/17/08/26/656170826.db2.gz HERLZNQUANFHEM-BBRMVZONSA-N 0 3 303.377 3.094 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000724925211 656530613 /nfs/dbraw/zinc/53/06/13/656530613.db2.gz JUODFVNZULHSHF-DGCLKSJQSA-N 0 3 324.396 3.191 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000321877327 658359863 /nfs/dbraw/zinc/35/98/63/658359863.db2.gz ITUDBURAHQPECU-SHTZXODSSA-N 0 3 320.433 3.318 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000155815293 658849986 /nfs/dbraw/zinc/84/99/86/658849986.db2.gz AMGJHNVOFOXYQL-ZFWWWQNUSA-N 0 3 320.433 3.442 20 10 DGCDHN CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179573161 659933253 /nfs/dbraw/zinc/93/32/53/659933253.db2.gz UYEHFNBMZLHMNI-UHFFFAOYSA-N 0 3 320.433 3.224 20 10 DGCDHN COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179586813 659934420 /nfs/dbraw/zinc/93/44/20/659934420.db2.gz KVOIVNBHISWQAN-UHFFFAOYSA-N 0 3 313.397 3.348 20 10 DGCDHN COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179586813 659934422 /nfs/dbraw/zinc/93/44/22/659934422.db2.gz KVOIVNBHISWQAN-UHFFFAOYSA-N 0 3 313.397 3.348 20 10 DGCDHN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1[O-] ZINC000179888566 659945928 /nfs/dbraw/zinc/94/59/28/659945928.db2.gz RQANLNJIFPYQMX-UHFFFAOYSA-N 0 3 303.333 3.282 20 10 DGCDHN CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1[O-] ZINC000179888566 659945930 /nfs/dbraw/zinc/94/59/30/659945930.db2.gz RQANLNJIFPYQMX-UHFFFAOYSA-N 0 3 303.333 3.282 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000179970891 659948584 /nfs/dbraw/zinc/94/85/84/659948584.db2.gz IKIMLHSSNKJXFR-UHFFFAOYSA-N 0 3 300.377 3.244 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000179970891 659948585 /nfs/dbraw/zinc/94/85/85/659948585.db2.gz IKIMLHSSNKJXFR-UHFFFAOYSA-N 0 3 300.377 3.244 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccccc1[O-] ZINC000183435499 660112089 /nfs/dbraw/zinc/11/20/89/660112089.db2.gz MIABNFOESBAMJB-HNNXBMFYSA-N 0 3 307.397 3.488 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183511358 660121128 /nfs/dbraw/zinc/12/11/28/660121128.db2.gz ZTTMKZAPVBBZKB-CHWSQXEVSA-N 0 3 306.406 3.052 20 10 DGCDHN C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccccc1[O-] ZINC000183625191 660126484 /nfs/dbraw/zinc/12/64/84/660126484.db2.gz PXMZBRHKBCHNCK-CYBMUJFWSA-N 0 3 309.369 3.336 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CCC1(O)CCC1 ZINC000930349966 661391622 /nfs/dbraw/zinc/39/16/22/661391622.db2.gz CRTKZTQZVQKLMP-QGZVFWFLSA-N 0 3 321.461 3.050 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CCC1(O)CCC1 ZINC000930349966 661391624 /nfs/dbraw/zinc/39/16/24/661391624.db2.gz CRTKZTQZVQKLMP-QGZVFWFLSA-N 0 3 321.461 3.050 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccc1F ZINC000075829150 661950779 /nfs/dbraw/zinc/95/07/79/661950779.db2.gz SWNGDNBYOJXVDO-SFHVURJKSA-N 0 3 303.377 3.477 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccc1F ZINC000075829150 661950782 /nfs/dbraw/zinc/95/07/82/661950782.db2.gz SWNGDNBYOJXVDO-SFHVURJKSA-N 0 3 303.377 3.477 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000192680197 662107992 /nfs/dbraw/zinc/10/79/92/662107992.db2.gz HDAINPULHMFXTC-STQMWFEESA-N 0 3 308.422 3.264 20 10 DGCDHN Cc1ccc(O)c(CN2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000093638360 662357447 /nfs/dbraw/zinc/35/74/47/662357447.db2.gz SFHKFGHQSDLPBZ-FQEVSTJZSA-N 0 3 309.409 3.375 20 10 DGCDHN Cc1nc(N2CCN(Cc3cc(C)ccc3O)CC2)sc1C ZINC000093689014 662359246 /nfs/dbraw/zinc/35/92/46/662359246.db2.gz ZQUPBGDCDRPKBB-UHFFFAOYSA-N 0 3 317.458 3.096 20 10 DGCDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000389854500 685197192 /nfs/dbraw/zinc/19/71/92/685197192.db2.gz YNSWJNCBMVAJPH-AYOQOUSVSA-N 0 3 322.452 3.490 20 10 DGCDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000393845028 685219344 /nfs/dbraw/zinc/21/93/44/685219344.db2.gz CLTXCVYNUUYLAO-KDOFPFPSSA-N 0 3 324.428 3.053 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2cnn3ccccc23)cc1 ZINC001620932524 1192628314 /nfs/dbraw/zinc/62/83/14/1192628314.db2.gz MYMISCWIQRJVRJ-AATRIKPKSA-N 0 3 306.413 3.203 20 10 DGCDHN CC[C@@H](NCc1c(C)c2ccccc2n1C)[C@H](O)C(F)(F)F ZINC001178369979 1177794139 /nfs/dbraw/zinc/79/41/39/1177794139.db2.gz SEHMJZDBWHIEHH-DOMZBBRYSA-N 0 3 314.351 3.278 20 10 DGCDHN Nc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC001335287835 1178886324 /nfs/dbraw/zinc/88/63/24/1178886324.db2.gz BXRIYVYYEMEQRS-CQSZACIVSA-N 0 3 324.350 3.321 20 10 DGCDHN Cc1ccc(CN2CCO[C@]3(CCc4ccccc43)C2)c(O)c1 ZINC001461872673 1182867632 /nfs/dbraw/zinc/86/76/32/1182867632.db2.gz WZKOJGLLRPIWKQ-HXUWFJFHSA-N 0 3 309.409 3.375 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC001462265860 1182931040 /nfs/dbraw/zinc/93/10/40/1182931040.db2.gz GONHSYTZVSQFMO-ZDUSSCGKSA-N 0 3 304.217 3.383 20 10 DGCDHN COC[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C(C)C ZINC001473262355 1183737832 /nfs/dbraw/zinc/73/78/32/1183737832.db2.gz WSWTUWVQTAUJFO-ROUUACIJSA-N 0 3 321.461 3.292 20 10 DGCDHN COC[C@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C(C)C ZINC001473262355 1183737837 /nfs/dbraw/zinc/73/78/37/1183737837.db2.gz WSWTUWVQTAUJFO-ROUUACIJSA-N 0 3 321.461 3.292 20 10 DGCDHN CC(C)[C@H](NCc1ccc2c(c1)CCCO2)[C@H](O)C(F)(F)F ZINC001474232073 1183886148 /nfs/dbraw/zinc/88/61/48/1183886148.db2.gz QSJWJXCGHLMEIQ-GJZGRUSLSA-N 0 3 317.351 3.049 20 10 DGCDHN CC[C@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001616858751 1193549498 /nfs/dbraw/zinc/54/94/98/1193549498.db2.gz SLEUARWQWJGAPT-MAUKXSAKSA-N 0 3 319.493 3.298 20 10 DGCDHN CN(C)c1ccc(/C=C\CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001560282929 1189305264 /nfs/dbraw/zinc/30/52/64/1189305264.db2.gz NHKFDURNYPOZFL-ARJAWSKDSA-N 0 3 311.385 3.464 20 10 DGCDHN CCC(CC)(CNCc1cc(F)c(N(C)C)cc1F)OC ZINC001560489376 1189333334 /nfs/dbraw/zinc/33/33/34/1189333334.db2.gz MBWXTZQGAIKEFG-UHFFFAOYSA-N 0 3 300.393 3.326 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001560645999 1189354670 /nfs/dbraw/zinc/35/46/70/1189354670.db2.gz LXZAOPUHPJYVPY-MRXNPFEDSA-N 0 3 308.853 3.496 20 10 DGCDHN CC(C)c1ccc([O-])c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC001560845481 1189393893 /nfs/dbraw/zinc/39/38/93/1189393893.db2.gz VKAHZSQSJKOYIA-MJGOQNOKSA-N 0 3 303.446 3.402 20 10 DGCDHN COC(=O)c1c(CN2CC[C@H](C)[C@@H]2C)c2cc(F)ccc2n1C ZINC001621136601 1193807554 /nfs/dbraw/zinc/80/75/54/1193807554.db2.gz VXYDQCVYGQTPKA-RYUDHWBXSA-N 0 3 318.392 3.334 20 10 DGCDHN COc1ccc(N(C)CC[N@H+](C)Cc2ccc([O-])c(F)c2)cc1 ZINC001621424228 1193841391 /nfs/dbraw/zinc/84/13/91/1193841391.db2.gz RJDGPOUDZDEUQS-UHFFFAOYSA-N 0 3 318.392 3.108 20 10 DGCDHN COc1ccc(N(C)CC[N@@H+](C)Cc2ccc([O-])c(F)c2)cc1 ZINC001621424228 1193841394 /nfs/dbraw/zinc/84/13/94/1193841394.db2.gz RJDGPOUDZDEUQS-UHFFFAOYSA-N 0 3 318.392 3.108 20 10 DGCDHN CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001647040763 1195242404 /nfs/dbraw/zinc/24/24/04/1195242404.db2.gz WVMARBMLLVYZSB-STQMWFEESA-N 0 3 300.805 3.147 20 10 DGCDHN Cc1ccc(CN2CCC[C@H](NC(=O)c3ccccc3)C2)c(O)c1 ZINC001657354271 1196133072 /nfs/dbraw/zinc/13/30/72/1196133072.db2.gz OJUXDRXZEAKCTN-SFHVURJKSA-N 0 3 324.424 3.095 20 10 DGCDHN COc1cc(C)c(CNCc2cc(F)ccc2OC)c(O)c1 ZINC001657865317 1196188511 /nfs/dbraw/zinc/18/85/11/1196188511.db2.gz DLOHREOWPRHTLQ-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN CCOC(OCC)[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001658197231 1196223991 /nfs/dbraw/zinc/22/39/91/1196223991.db2.gz CJUKNZCXSIAWGK-HNNXBMFYSA-N 0 3 306.450 3.164 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC001658198542 1196224201 /nfs/dbraw/zinc/22/42/01/1196224201.db2.gz ZXZJJFGSVZOGSG-QGZVFWFLSA-N 0 3 321.804 3.186 20 10 DGCDHN CCc1cccc(CN2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC001658202094 1196225219 /nfs/dbraw/zinc/22/52/19/1196225219.db2.gz LOBWAQWDOBGWKG-LJQANCHMSA-N 0 3 310.441 3.443 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1 ZINC001658294271 1196237028 /nfs/dbraw/zinc/23/70/28/1196237028.db2.gz QKDCRKTVZFUUMH-SJLPKXTDSA-N 0 3 307.434 3.345 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1 ZINC001658294271 1196237034 /nfs/dbraw/zinc/23/70/34/1196237034.db2.gz QKDCRKTVZFUUMH-SJLPKXTDSA-N 0 3 307.434 3.345 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCSC3)C2)c([O-])c1 ZINC001658335052 1196242468 /nfs/dbraw/zinc/24/24/68/1196242468.db2.gz GWOHVYUZIOIHRX-KRWDZBQOSA-N 0 3 307.459 3.428 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@]3(CCSC3)C2)c([O-])c1 ZINC001658335052 1196242470 /nfs/dbraw/zinc/24/24/70/1196242470.db2.gz GWOHVYUZIOIHRX-KRWDZBQOSA-N 0 3 307.459 3.428 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC(C)(C)O2)c1[O-] ZINC001660840517 1196533172 /nfs/dbraw/zinc/53/31/72/1196533172.db2.gz FYFSWRMQLURXBI-CYBMUJFWSA-N 0 3 313.825 3.492 20 10 DGCDHN CC[C@H](C)[C@H](CNCc1cc(F)c(N(C)C)cc1F)OC ZINC001662495345 1196725771 /nfs/dbraw/zinc/72/57/71/1196725771.db2.gz HGGUHYRGUYBEDK-ZBEGNZNMSA-N 0 3 300.393 3.182 20 10 DGCDHN CC(C)C(=O)N1CCCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001663850462 1196951391 /nfs/dbraw/zinc/95/13/91/1196951391.db2.gz CWIVHDANMINXBG-UHFFFAOYSA-N 0 3 318.461 3.206 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)CCC(C)(C)C)c1[O-] ZINC001664465971 1197003045 /nfs/dbraw/zinc/00/30/45/1197003045.db2.gz WQXYHSOJCOEWOF-CYBMUJFWSA-N 0 3 315.841 3.331 20 10 DGCDHN CCOCC[NH+](CCOCC)Cc1c([O-])ccc2ccccc21 ZINC000321884994 1197686566 /nfs/dbraw/zinc/68/65/66/1197686566.db2.gz NNJBEUFMDNKSRL-UHFFFAOYSA-N 0 3 317.429 3.420 20 10 DGCDHN COCC[N@H+](Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000160971831 1202656015 /nfs/dbraw/zinc/65/60/15/1202656015.db2.gz BPAOBDRKYIFYMU-UHFFFAOYSA-N 0 3 316.239 3.320 20 10 DGCDHN COCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000160971831 1202656016 /nfs/dbraw/zinc/65/60/16/1202656016.db2.gz BPAOBDRKYIFYMU-UHFFFAOYSA-N 0 3 316.239 3.320 20 10 DGCDHN CCCN1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001648920630 1082849581 /nfs/dbraw/zinc/84/95/81/1082849581.db2.gz FIJFAULAVNHQFH-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN CCCN1CC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001648920629 1082849760 /nfs/dbraw/zinc/84/97/60/1082849760.db2.gz FIJFAULAVNHQFH-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670231 1083072741 /nfs/dbraw/zinc/07/27/41/1083072741.db2.gz RDJBTICWNQLLEQ-ZDUSSCGKSA-N 0 3 305.324 3.023 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC(C)(C)c2ccccn2)c([O-])c1 ZINC001181869480 1083565129 /nfs/dbraw/zinc/56/51/29/1083565129.db2.gz CMGXSENKEKNBBY-UHFFFAOYSA-N 0 3 300.402 3.172 20 10 DGCDHN CCCCN1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618710 1088326115 /nfs/dbraw/zinc/32/61/15/1088326115.db2.gz NNSDTCIQAIJTQO-UHFFFAOYSA-N 0 3 316.445 3.007 20 10 DGCDHN Cc1c(N)cc[nH+]c1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527074 1090341029 /nfs/dbraw/zinc/34/10/29/1090341029.db2.gz CFHDVRNGLXEEAO-UHFFFAOYSA-N 0 3 314.776 3.492 20 10 DGCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccccc1[O-] ZINC001203549913 1090753590 /nfs/dbraw/zinc/75/35/90/1090753590.db2.gz CJMFRUJIPBGINU-AWEZNQCLSA-N 0 3 320.433 3.224 20 10 DGCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccccc1[O-] ZINC001203549913 1090753594 /nfs/dbraw/zinc/75/35/94/1090753594.db2.gz CJMFRUJIPBGINU-AWEZNQCLSA-N 0 3 320.433 3.224 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001203556377 1090753979 /nfs/dbraw/zinc/75/39/79/1090753979.db2.gz ODFVTGJGUSVJHD-CQSZACIVSA-N 0 3 305.324 3.324 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001203556377 1090753983 /nfs/dbraw/zinc/75/39/83/1090753983.db2.gz ODFVTGJGUSVJHD-CQSZACIVSA-N 0 3 305.324 3.324 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001203560666 1090757138 /nfs/dbraw/zinc/75/71/38/1090757138.db2.gz FPURNONZTICJIQ-UHFFFAOYSA-N 0 3 322.452 3.490 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001203560666 1090757143 /nfs/dbraw/zinc/75/71/43/1090757143.db2.gz FPURNONZTICJIQ-UHFFFAOYSA-N 0 3 322.452 3.490 20 10 DGCDHN CC[N@H+](Cc1cc(OC)cc(OC)c1)Cc1ccccc1[O-] ZINC001203857652 1090820156 /nfs/dbraw/zinc/82/01/56/1090820156.db2.gz HKCBZVFRQHUCOH-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@@H+](Cc1cc(OC)cc(OC)c1)Cc1ccccc1[O-] ZINC001203857652 1090820162 /nfs/dbraw/zinc/82/01/62/1090820162.db2.gz HKCBZVFRQHUCOH-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(O)c(O)c1 ZINC001203879124 1090826665 /nfs/dbraw/zinc/82/66/65/1090826665.db2.gz MCYYJROOUUZYJR-UHFFFAOYSA-N 0 3 312.413 3.330 20 10 DGCDHN CN(C)c1ccc(CN2CCC(Oc3ccccn3)CC2)cc1 ZINC001203934419 1090843383 /nfs/dbraw/zinc/84/33/83/1090843383.db2.gz VMTBCQMIMHDADY-UHFFFAOYSA-N 0 3 311.429 3.191 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(Sc2ccncc2)CC1 ZINC001204277794 1090939590 /nfs/dbraw/zinc/93/95/90/1090939590.db2.gz AEYJDESGXBOKKG-UHFFFAOYSA-N 0 3 316.426 3.250 20 10 DGCDHN CC[C@H](C)[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC001205101415 1091101862 /nfs/dbraw/zinc/10/18/62/1091101862.db2.gz SBSKIDZNEJTXHK-WDYCEAGBSA-N 0 3 321.461 3.434 20 10 DGCDHN CC[C@H](C)[C@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC001205101415 1091101864 /nfs/dbraw/zinc/10/18/64/1091101864.db2.gz SBSKIDZNEJTXHK-WDYCEAGBSA-N 0 3 321.461 3.434 20 10 DGCDHN Cc1c(CN2CCC3(CCC(=O)O3)CC2)c2ccccc2n1C ZINC001138256606 1091126828 /nfs/dbraw/zinc/12/68/28/1091126828.db2.gz CIQOGUCILXDSDX-UHFFFAOYSA-N 0 3 312.413 3.158 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC001205238829 1091144560 /nfs/dbraw/zinc/14/45/60/1091144560.db2.gz XNSHZXHWSSXUGD-MSOLQXFVSA-N 0 3 305.418 3.004 20 10 DGCDHN C[C@@H]1[C@H](C[NH3+])CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001205916174 1091411625 /nfs/dbraw/zinc/41/16/25/1091411625.db2.gz SGYMDEUOKFJRHH-ZJUUUORDSA-N 0 3 303.233 3.258 20 10 DGCDHN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc2nonc2c1 ZINC001139221329 1091493207 /nfs/dbraw/zinc/49/32/07/1091493207.db2.gz GDZZPPUUJJKVSJ-UHFFFAOYSA-N 0 3 322.412 3.455 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1Cl ZINC001206456745 1091637973 /nfs/dbraw/zinc/63/79/73/1091637973.db2.gz PFCBBAQRGDYKKK-RYUDHWBXSA-N 0 3 314.832 3.214 20 10 DGCDHN C[C@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001206800505 1091745932 /nfs/dbraw/zinc/74/59/32/1091745932.db2.gz KTYMWBSRYNNLJV-WBMJQRKESA-N 0 3 312.404 3.223 20 10 DGCDHN Cc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055545 1091751381 /nfs/dbraw/zinc/75/13/81/1091751381.db2.gz KENDHXFJIOKOSP-MRXNPFEDSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055545 1091751386 /nfs/dbraw/zinc/75/13/86/1091751386.db2.gz KENDHXFJIOKOSP-MRXNPFEDSA-N 0 3 301.361 3.493 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001140060000 1091755098 /nfs/dbraw/zinc/75/50/98/1091755098.db2.gz FWZNKZWGGMSWIA-UHFFFAOYSA-N 0 3 313.372 3.458 20 10 DGCDHN C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001207208171 1091888991 /nfs/dbraw/zinc/88/89/91/1091888991.db2.gz FHIWHDSWQCHMEK-QGZVFWFLSA-N 0 3 323.795 3.268 20 10 DGCDHN CCN(CC)c1ccc(CN2CCOC[C@@H]2C(C)C)c(O)c1 ZINC001140855466 1092030833 /nfs/dbraw/zinc/03/08/33/1092030833.db2.gz AESYQBCXHIXLCV-QGZVFWFLSA-N 0 3 306.450 3.095 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@](F)(CO)CC2)c(Cl)c1 ZINC001140922313 1092062284 /nfs/dbraw/zinc/06/22/84/1092062284.db2.gz NSSGFFMPQVPKBL-MRXNPFEDSA-N 0 3 314.832 3.093 20 10 DGCDHN Cc1ccc(C2(O)CC[NH+](Cc3ccc(C)cc3[O-])CC2)cc1 ZINC001140948514 1092074818 /nfs/dbraw/zinc/07/48/18/1092074818.db2.gz LBXLTPJHISYMSE-UHFFFAOYSA-N 0 3 311.425 3.493 20 10 DGCDHN Cc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001140948342 1092076207 /nfs/dbraw/zinc/07/62/07/1092076207.db2.gz FWGFEYBUAJFCLK-UHFFFAOYSA-N 0 3 300.377 3.162 20 10 DGCDHN COc1cccc(CN(C)Cc2ccc(C)cc2O)c1OC ZINC001140958005 1092082809 /nfs/dbraw/zinc/08/28/09/1092082809.db2.gz PMTRLHBWFDAVEW-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1cc(O)c(CN(C)Cc2ccc(C)cc2)c(OC)c1 ZINC001141027407 1092110630 /nfs/dbraw/zinc/11/06/30/1092110630.db2.gz YTAJNSDQACOBQI-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN Cc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141141271 1092148079 /nfs/dbraw/zinc/14/80/79/1092148079.db2.gz WLCKZQCCIVBPRW-UHFFFAOYSA-N 0 3 308.425 3.382 20 10 DGCDHN CN(C)c1cccc(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001141268415 1092196092 /nfs/dbraw/zinc/19/60/92/1092196092.db2.gz IXTHVWBMOXOWSF-UHFFFAOYSA-N 0 3 312.413 3.112 20 10 DGCDHN CC/C=C\CCN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001208734689 1092481260 /nfs/dbraw/zinc/48/12/60/1092481260.db2.gz RMSAJZNCYGFXOM-PLNGDYQASA-N 0 3 318.461 3.190 20 10 DGCDHN C[N@H+](CCOCCOCc1ccccc1)Cc1ccccc1[O-] ZINC001208749843 1092487930 /nfs/dbraw/zinc/48/79/30/1092487930.db2.gz FMKXUDGECISMFT-UHFFFAOYSA-N 0 3 315.413 3.057 20 10 DGCDHN C[N@@H+](CCOCCOCc1ccccc1)Cc1ccccc1[O-] ZINC001208749843 1092487937 /nfs/dbraw/zinc/48/79/37/1092487937.db2.gz FMKXUDGECISMFT-UHFFFAOYSA-N 0 3 315.413 3.057 20 10 DGCDHN COCCN(CCOC)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209519603 1092807784 /nfs/dbraw/zinc/80/77/84/1092807784.db2.gz XMRZZCFPQQNLQR-UHFFFAOYSA-N 0 3 316.445 3.189 20 10 DGCDHN CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)N(C)C ZINC001151152815 1092870683 /nfs/dbraw/zinc/87/06/83/1092870683.db2.gz DVIYNKBBQAUHNK-SFHVURJKSA-N 0 3 313.445 3.051 20 10 DGCDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000401529220 1093953518 /nfs/dbraw/zinc/95/35/18/1093953518.db2.gz PIYJCAFAIDEBDZ-OAHLLOKOSA-N 0 3 320.433 3.270 20 10 DGCDHN [O-]c1c(CN2CC[C@]23CCC[NH2+]C3)cccc1-c1ccccc1 ZINC001222196775 1095487781 /nfs/dbraw/zinc/48/77/81/1095487781.db2.gz CCAZVRCJUFEJIB-FQEVSTJZSA-N 0 3 308.425 3.387 20 10 DGCDHN [O-]c1cc(Cl)c(F)cc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222320354 1095549817 /nfs/dbraw/zinc/54/98/17/1095549817.db2.gz HDLBVQWEDRJQTA-INIZCTEOSA-N 0 3 312.816 3.293 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)C1CCCCC1 ZINC001118270208 1095971939 /nfs/dbraw/zinc/97/19/39/1095971939.db2.gz YISPOWWEDPYOIY-GOSISDBHSA-N 0 3 317.477 3.009 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171345126 1096497151 /nfs/dbraw/zinc/49/71/51/1096497151.db2.gz HHYCLPRSLPPTED-CYBMUJFWSA-N 0 3 305.324 3.023 20 10 DGCDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC001172944348 1097289082 /nfs/dbraw/zinc/28/90/82/1097289082.db2.gz SDGTUWDIXAABCO-CYBMUJFWSA-N 0 3 308.422 3.127 20 10 DGCDHN CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C1 ZINC001173647839 1097491130 /nfs/dbraw/zinc/49/11/30/1097491130.db2.gz CCTDMENUCJMIAF-LSDHHAIUSA-N 0 3 305.418 3.221 20 10 DGCDHN COCCCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC001231507733 1097768260 /nfs/dbraw/zinc/76/82/60/1097768260.db2.gz DUZKWVYELAKOGM-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN COCCCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC001231507733 1097768265 /nfs/dbraw/zinc/76/82/65/1097768265.db2.gz DUZKWVYELAKOGM-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+]2CCC(C)(C)C2)c1[O-] ZINC001231553368 1097779030 /nfs/dbraw/zinc/77/90/30/1097779030.db2.gz VKSIKNLKOPUMRE-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1ccc(Br)c(C[N@H+]2CCC(C)(C)C2)c1[O-] ZINC001231553368 1097779032 /nfs/dbraw/zinc/77/90/32/1097779032.db2.gz VKSIKNLKOPUMRE-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1cc(CN(C)[C@H](C)c2ccccc2OC)c(O)cc1O ZINC001231637709 1097798665 /nfs/dbraw/zinc/79/86/65/1097798665.db2.gz QTLXNBKIEQOBMZ-GFCCVEGCSA-N 0 3 317.385 3.308 20 10 DGCDHN CCC[NH+]1C[C@@H]2CN(Cc3cc(Cl)c(C)cc3[O-])C[C@H]2C1 ZINC001231871461 1097871974 /nfs/dbraw/zinc/87/19/74/1097871974.db2.gz KZRQACDBZZZWCE-HUUCEWRRSA-N 0 3 308.853 3.128 20 10 DGCDHN CC1(C)CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203300 1097963033 /nfs/dbraw/zinc/96/30/33/1097963033.db2.gz SMTTXJPWTIOQDF-UHFFFAOYSA-N 0 3 308.853 3.409 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(F)ccc1N ZINC001232511484 1098064884 /nfs/dbraw/zinc/06/48/84/1098064884.db2.gz BAVRCDAPSRJYQW-UHFFFAOYSA-N 0 3 301.409 3.496 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+](CCCO)C(C)C)c1[O-] ZINC001233109735 1098228190 /nfs/dbraw/zinc/22/81/90/1098228190.db2.gz BARLKKNKSCMCOI-UHFFFAOYSA-N 0 3 316.239 3.056 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+](CCCO)C(C)C)c1[O-] ZINC001233109735 1098228194 /nfs/dbraw/zinc/22/81/94/1098228194.db2.gz BARLKKNKSCMCOI-UHFFFAOYSA-N 0 3 316.239 3.056 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC001233284293 1098275287 /nfs/dbraw/zinc/27/52/87/1098275287.db2.gz PDKYPBNALVKAHV-HNNXBMFYSA-N 0 3 317.351 3.189 20 10 DGCDHN CCC(=O)N[C@@H]1CCCN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286917 1098276383 /nfs/dbraw/zinc/27/63/83/1098276383.db2.gz ONXOMWFAAHBUAU-MRXNPFEDSA-N 0 3 318.461 3.180 20 10 DGCDHN CCO[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754792 1098422832 /nfs/dbraw/zinc/42/28/32/1098422832.db2.gz LJRWSMHTFPDAPZ-LBPRGKRZSA-N 0 3 319.323 3.292 20 10 DGCDHN CCO[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754792 1098422836 /nfs/dbraw/zinc/42/28/36/1098422836.db2.gz LJRWSMHTFPDAPZ-LBPRGKRZSA-N 0 3 319.323 3.292 20 10 DGCDHN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233768043 1098426745 /nfs/dbraw/zinc/42/67/45/1098426745.db2.gz JWJWBGURCQXAFX-GFCCVEGCSA-N 0 3 319.323 3.026 20 10 DGCDHN CC(C)(O)[C@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233768043 1098426749 /nfs/dbraw/zinc/42/67/49/1098426749.db2.gz JWJWBGURCQXAFX-GFCCVEGCSA-N 0 3 319.323 3.026 20 10 DGCDHN COc1cc(CNCc2ccc(N(C)C)c(F)c2)ccc1C ZINC001177510157 1098544303 /nfs/dbraw/zinc/54/43/03/1098544303.db2.gz AYQDFUBIZMIOGY-UHFFFAOYSA-N 0 3 302.393 3.499 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3C(C)(C)O)c2c1 ZINC001234562177 1098602450 /nfs/dbraw/zinc/60/24/50/1098602450.db2.gz JGXBSEGNDVSACE-SFHVURJKSA-N 0 3 315.413 3.289 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3C(C)(C)O)c2c1 ZINC001234562177 1098602453 /nfs/dbraw/zinc/60/24/53/1098602453.db2.gz JGXBSEGNDVSACE-SFHVURJKSA-N 0 3 315.413 3.289 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H]3CCOC(C)(C)C3)cc2)CC1 ZINC001234661564 1098636767 /nfs/dbraw/zinc/63/67/67/1098636767.db2.gz UXNUISREWUHDDO-SFHVURJKSA-N 0 3 318.461 3.165 20 10 DGCDHN [O-]c1ccc(F)c(Cl)c1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235036796 1098766499 /nfs/dbraw/zinc/76/64/99/1098766499.db2.gz BQVGUBZVEXUJOU-MRXNPFEDSA-N 0 3 312.816 3.293 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235116242 1098815997 /nfs/dbraw/zinc/81/59/97/1098815997.db2.gz FJMGFBIHYHYSAV-OAHLLOKOSA-N 0 3 314.351 3.129 20 10 DGCDHN CCC[NH+](CCC)CCCC(=O)NCc1c([O-])cccc1F ZINC001178413682 1098828781 /nfs/dbraw/zinc/82/87/81/1098828781.db2.gz VVWOXNHBWRQOPI-UHFFFAOYSA-N 0 3 310.413 3.050 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1Cl ZINC001235256343 1098927056 /nfs/dbraw/zinc/92/70/56/1098927056.db2.gz SDBGVHYOCSTAPW-WBIUFABUSA-N 0 3 308.853 3.265 20 10 DGCDHN CCOc1cc(O)cc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001235403129 1099000067 /nfs/dbraw/zinc/00/00/67/1099000067.db2.gz WHPLMHIVUPGIAB-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc3[nH]c(=O)oc32)c1 ZINC001179053422 1099001483 /nfs/dbraw/zinc/00/14/83/1099001483.db2.gz LQGSJXXHDGNLQK-SNVBAGLBSA-N 0 3 314.341 3.098 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235676960 1099119813 /nfs/dbraw/zinc/11/98/13/1099119813.db2.gz YSBJCRNKYVLCHS-AWEZNQCLSA-N 0 3 305.418 3.075 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235676960 1099119817 /nfs/dbraw/zinc/11/98/17/1099119817.db2.gz YSBJCRNKYVLCHS-AWEZNQCLSA-N 0 3 305.418 3.075 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c([O-])c1 ZINC001235682492 1099126174 /nfs/dbraw/zinc/12/61/74/1099126174.db2.gz XMNIEGOBWZXDGA-CZUORRHYSA-N 0 3 301.430 3.491 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c([O-])c1 ZINC001235682492 1099126180 /nfs/dbraw/zinc/12/61/80/1099126180.db2.gz XMNIEGOBWZXDGA-CZUORRHYSA-N 0 3 301.430 3.491 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235850307 1099209974 /nfs/dbraw/zinc/20/99/74/1099209974.db2.gz SNUBDRBJRHTMEC-QGZVFWFLSA-N 0 3 316.832 3.062 20 10 DGCDHN CN1CCCc2cc(CN3CCc4cc(N)ccc4C3)ccc21 ZINC001236106125 1099394961 /nfs/dbraw/zinc/39/49/61/1099394961.db2.gz YXXANDYBPRGFNO-UHFFFAOYSA-N 0 3 307.441 3.210 20 10 DGCDHN CCC[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC001180429533 1099403292 /nfs/dbraw/zinc/40/32/92/1099403292.db2.gz CLLLVBQQDWXBQU-IAGOWNOFSA-N 0 3 307.434 3.188 20 10 DGCDHN CCC[C@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC001180429533 1099403295 /nfs/dbraw/zinc/40/32/95/1099403295.db2.gz CLLLVBQQDWXBQU-IAGOWNOFSA-N 0 3 307.434 3.188 20 10 DGCDHN COCCN(Cc1cccs1)Cc1c(C)cc(OC)cc1O ZINC001180505388 1099447960 /nfs/dbraw/zinc/44/79/60/1099447960.db2.gz RKACSGLXTMFHAU-UHFFFAOYSA-N 0 3 321.442 3.419 20 10 DGCDHN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@@H]1CCCC[C@H]1N ZINC001236214080 1099470426 /nfs/dbraw/zinc/47/04/26/1099470426.db2.gz DXIFZAYVWGMKOW-CHWSQXEVSA-N 0 3 302.340 3.113 20 10 DGCDHN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@@H]1CCCC[C@H]1N ZINC001236214080 1099470429 /nfs/dbraw/zinc/47/04/29/1099470429.db2.gz DXIFZAYVWGMKOW-CHWSQXEVSA-N 0 3 302.340 3.113 20 10 DGCDHN [O-]c1c(F)cc(Cl)cc1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236602457 1099697050 /nfs/dbraw/zinc/69/70/50/1099697050.db2.gz WCDRNLTZMPTTHH-NSHDSACASA-N 0 3 312.816 3.149 20 10 DGCDHN COc1cc(C[N@@H+]2CC[C@@H](C)C2)c([O-])cc1Br ZINC001236749180 1099770397 /nfs/dbraw/zinc/77/03/97/1099770397.db2.gz ZUPIRTZVGMUVAU-SECBINFHSA-N 0 3 300.196 3.005 20 10 DGCDHN COc1cc(C[N@H+]2CC[C@@H](C)C2)c([O-])cc1Br ZINC001236749180 1099770403 /nfs/dbraw/zinc/77/04/03/1099770403.db2.gz ZUPIRTZVGMUVAU-SECBINFHSA-N 0 3 300.196 3.005 20 10 DGCDHN COc1cc(CN2CC[C@@H](C)C2)c(O)cc1Br ZINC001236749180 1099770407 /nfs/dbraw/zinc/77/04/07/1099770407.db2.gz ZUPIRTZVGMUVAU-SECBINFHSA-N 0 3 300.196 3.005 20 10 DGCDHN CCc1ccc(CN2CCOC[C@H]2Cc2ccccc2)c(O)c1 ZINC001236786348 1099783038 /nfs/dbraw/zinc/78/30/38/1099783038.db2.gz AUEBUUDKUUZTMZ-LJQANCHMSA-N 0 3 311.425 3.398 20 10 DGCDHN CCc1ccc(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c([O-])c1 ZINC001236788565 1099785857 /nfs/dbraw/zinc/78/58/57/1099785857.db2.gz PEYHDMRBKPJQOQ-UHFFFAOYSA-N 0 3 318.461 3.033 20 10 DGCDHN COc1cc([O-])c(CN2CC[N@H+](C)CC23CCCC3)c(Cl)c1 ZINC001236806515 1099800913 /nfs/dbraw/zinc/80/09/13/1099800913.db2.gz XPLUDSNEYZVFRY-UHFFFAOYSA-N 0 3 324.852 3.114 20 10 DGCDHN COc1cc([O-])c(CN2CC[N@@H+](C)CC23CCCC3)c(Cl)c1 ZINC001236806515 1099800924 /nfs/dbraw/zinc/80/09/24/1099800924.db2.gz XPLUDSNEYZVFRY-UHFFFAOYSA-N 0 3 324.852 3.114 20 10 DGCDHN COc1cc(C)c(CN2CCC(=O)[C@@H](C)C23CCCC3)c(O)c1 ZINC001236816318 1099803799 /nfs/dbraw/zinc/80/37/99/1099803799.db2.gz SHZMWNFSHYPKIJ-CQSZACIVSA-N 0 3 317.429 3.433 20 10 DGCDHN COc1cc(C)c(CN2CCC(=O)[C@H](C)C23CCCC3)c(O)c1 ZINC001236816317 1099804185 /nfs/dbraw/zinc/80/41/85/1099804185.db2.gz SHZMWNFSHYPKIJ-AWEZNQCLSA-N 0 3 317.429 3.433 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001236827468 1099811123 /nfs/dbraw/zinc/81/11/23/1099811123.db2.gz SLCUVODHRSLQSH-SFHVURJKSA-N 0 3 303.377 3.232 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001236827468 1099811127 /nfs/dbraw/zinc/81/11/27/1099811127.db2.gz SLCUVODHRSLQSH-SFHVURJKSA-N 0 3 303.377 3.232 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001236827885 1099812277 /nfs/dbraw/zinc/81/22/77/1099812277.db2.gz VYMLPTYXLZCIOT-SFHVURJKSA-N 0 3 303.377 3.232 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001236827885 1099812285 /nfs/dbraw/zinc/81/22/85/1099812285.db2.gz VYMLPTYXLZCIOT-SFHVURJKSA-N 0 3 303.377 3.232 20 10 DGCDHN O=c1[nH]ccc2c1CC[N@@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236838151 1099823304 /nfs/dbraw/zinc/82/33/04/1099823304.db2.gz WGRFZKPMZCAFNX-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN O=c1[nH]ccc2c1CC[N@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236838151 1099823312 /nfs/dbraw/zinc/82/33/12/1099823312.db2.gz WGRFZKPMZCAFNX-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](COCC3CC3)C2)c([O-])c1 ZINC001237043794 1099942092 /nfs/dbraw/zinc/94/20/92/1099942092.db2.gz CGNVIHVOSFNCGT-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](COCC3CC3)C2)c([O-])c1 ZINC001237043794 1099942100 /nfs/dbraw/zinc/94/21/00/1099942100.db2.gz CGNVIHVOSFNCGT-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])[C@@H]1C ZINC001237048416 1099942840 /nfs/dbraw/zinc/94/28/40/1099942840.db2.gz FWPFDBONMOTUCS-CJNGLKHVSA-N 0 3 305.418 3.289 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])[C@@H]1C ZINC001237048416 1099942851 /nfs/dbraw/zinc/94/28/51/1099942851.db2.gz FWPFDBONMOTUCS-CJNGLKHVSA-N 0 3 305.418 3.289 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237050234 1099945589 /nfs/dbraw/zinc/94/55/89/1099945589.db2.gz ZUQGLZOPAPAKNR-MRXNPFEDSA-N 0 3 305.418 3.291 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237050234 1099945603 /nfs/dbraw/zinc/94/56/03/1099945603.db2.gz ZUQGLZOPAPAKNR-MRXNPFEDSA-N 0 3 305.418 3.291 20 10 DGCDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049120 1099945739 /nfs/dbraw/zinc/94/57/39/1099945739.db2.gz LUDJHWAFHCNBIE-CJNGLKHVSA-N 0 3 305.418 3.289 20 10 DGCDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049120 1099945747 /nfs/dbraw/zinc/94/57/47/1099945747.db2.gz LUDJHWAFHCNBIE-CJNGLKHVSA-N 0 3 305.418 3.289 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(F)CC1 ZINC001237053436 1099946820 /nfs/dbraw/zinc/94/68/20/1099946820.db2.gz LOHLOJZHGHEWNS-UHFFFAOYSA-N 0 3 307.287 3.267 20 10 DGCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001237054747 1099947942 /nfs/dbraw/zinc/94/79/42/1099947942.db2.gz GBYFRZLLDHVMOH-JQFCIGGWSA-N 0 3 317.429 3.289 20 10 DGCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001237054747 1099947956 /nfs/dbraw/zinc/94/79/56/1099947956.db2.gz GBYFRZLLDHVMOH-JQFCIGGWSA-N 0 3 317.429 3.289 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001237055971 1099948351 /nfs/dbraw/zinc/94/83/51/1099948351.db2.gz STHGEPKHWUGZNI-SFHVURJKSA-N 0 3 303.402 3.187 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001237055971 1099948360 /nfs/dbraw/zinc/94/83/60/1099948360.db2.gz STHGEPKHWUGZNI-SFHVURJKSA-N 0 3 303.402 3.187 20 10 DGCDHN CC(C)c1ccc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001237054980 1099948610 /nfs/dbraw/zinc/94/86/10/1099948610.db2.gz KNIMUKONHHFFKT-MRXNPFEDSA-N 0 3 305.418 3.243 20 10 DGCDHN CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001237054980 1099948616 /nfs/dbraw/zinc/94/86/16/1099948616.db2.gz KNIMUKONHHFFKT-MRXNPFEDSA-N 0 3 305.418 3.243 20 10 DGCDHN CN(Cc1c(O)cccc1OC(F)(F)F)C[C@H]1CCCCO1 ZINC001237122903 1099981459 /nfs/dbraw/zinc/98/14/59/1099981459.db2.gz MBOQLZLDVWPZMH-LLVKDONJSA-N 0 3 319.323 3.292 20 10 DGCDHN C[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C[C@H]1CCCCO1 ZINC001237122903 1099981468 /nfs/dbraw/zinc/98/14/68/1099981468.db2.gz MBOQLZLDVWPZMH-LLVKDONJSA-N 0 3 319.323 3.292 20 10 DGCDHN C[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C[C@H]1CCCCO1 ZINC001237122903 1099981477 /nfs/dbraw/zinc/98/14/77/1099981477.db2.gz MBOQLZLDVWPZMH-LLVKDONJSA-N 0 3 319.323 3.292 20 10 DGCDHN Oc1cccc(OC(F)(F)F)c1CN1CCC[C@@H](CF)C1 ZINC001237124327 1099983842 /nfs/dbraw/zinc/98/38/42/1099983842.db2.gz ZMKBJRJWXCGOGO-JTQLQIEISA-N 0 3 307.287 3.472 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(Cc3ccccc3N2)CC1 ZINC001237334133 1100083064 /nfs/dbraw/zinc/08/30/64/1100083064.db2.gz PVGSYZBEXKNQLY-UHFFFAOYSA-N 0 3 310.397 3.101 20 10 DGCDHN CC[N@H+](Cc1cccc(CC(=O)OC)c1)Cc1ccccc1[O-] ZINC001237486834 1100139058 /nfs/dbraw/zinc/13/90/58/1100139058.db2.gz BSGIYIILXQKCIY-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN CC[N@@H+](Cc1cccc(CC(=O)OC)c1)Cc1ccccc1[O-] ZINC001237486834 1100139065 /nfs/dbraw/zinc/13/90/65/1100139065.db2.gz BSGIYIILXQKCIY-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN Cc1cccc(O)c1CN1CC2(CCN2Cc2ccccc2)C1 ZINC001237486665 1100139076 /nfs/dbraw/zinc/13/90/76/1100139076.db2.gz AOUUEPOEDLDYTP-UHFFFAOYSA-N 0 3 308.425 3.161 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001237489378 1100141176 /nfs/dbraw/zinc/14/11/76/1100141176.db2.gz GNVNOUVBTHKYLO-CQSZACIVSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001237489378 1100141179 /nfs/dbraw/zinc/14/11/79/1100141179.db2.gz GNVNOUVBTHKYLO-CQSZACIVSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001237489865 1100141879 /nfs/dbraw/zinc/14/18/79/1100141879.db2.gz LSAYQPKIBNLZIJ-INIZCTEOSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001237489865 1100141881 /nfs/dbraw/zinc/14/18/81/1100141881.db2.gz LSAYQPKIBNLZIJ-INIZCTEOSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)c1 ZINC001237494868 1100145136 /nfs/dbraw/zinc/14/51/36/1100145136.db2.gz MJHYWPCJVGMQFQ-MRXNPFEDSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)c1 ZINC001237494868 1100145140 /nfs/dbraw/zinc/14/51/40/1100145140.db2.gz MJHYWPCJVGMQFQ-MRXNPFEDSA-N 0 3 312.413 3.447 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@H]1O ZINC001237641121 1100199303 /nfs/dbraw/zinc/19/93/03/1100199303.db2.gz MKPLGOSNVBCWTB-BFUOFWGJSA-N 0 3 315.388 3.401 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@H]1O ZINC001237641121 1100199308 /nfs/dbraw/zinc/19/93/08/1100199308.db2.gz MKPLGOSNVBCWTB-BFUOFWGJSA-N 0 3 315.388 3.401 20 10 DGCDHN C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@H]1O ZINC001237642135 1100200059 /nfs/dbraw/zinc/20/00/59/1100200059.db2.gz ZXBRRNODPHSBSK-KPZWWZAWSA-N 0 3 301.361 3.011 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@H]1O ZINC001237642135 1100200064 /nfs/dbraw/zinc/20/00/64/1100200064.db2.gz ZXBRRNODPHSBSK-KPZWWZAWSA-N 0 3 301.361 3.011 20 10 DGCDHN CC[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])C1CN(C)C1 ZINC001237650928 1100203185 /nfs/dbraw/zinc/20/31/85/1100203185.db2.gz WSEUKGAGUOMEKQ-UHFFFAOYSA-N 0 3 314.404 3.334 20 10 DGCDHN CC[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])C1CN(C)C1 ZINC001237650928 1100203195 /nfs/dbraw/zinc/20/31/95/1100203195.db2.gz WSEUKGAGUOMEKQ-UHFFFAOYSA-N 0 3 314.404 3.334 20 10 DGCDHN COc1cc(CN2CCC[C@@H]2c2ccncc2)c(O)c(OC)c1 ZINC001237676222 1100209979 /nfs/dbraw/zinc/20/99/79/1100209979.db2.gz LBRNRCNTGGXCLF-MRXNPFEDSA-N 0 3 314.385 3.142 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c1[O-] ZINC001237686810 1100214480 /nfs/dbraw/zinc/21/44/80/1100214480.db2.gz PMGCUQNRPBTUTG-UHFFFAOYSA-N 0 3 318.804 3.055 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c1[O-] ZINC001237686810 1100214486 /nfs/dbraw/zinc/21/44/86/1100214486.db2.gz PMGCUQNRPBTUTG-UHFFFAOYSA-N 0 3 318.804 3.055 20 10 DGCDHN Cc1cc(F)cc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1[O-] ZINC001238066777 1100347582 /nfs/dbraw/zinc/34/75/82/1100347582.db2.gz PZYIPFJKWVPUHB-INIZCTEOSA-N 0 3 301.361 3.275 20 10 DGCDHN Cc1cc(F)cc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c1[O-] ZINC001238066777 1100347592 /nfs/dbraw/zinc/34/75/92/1100347592.db2.gz PZYIPFJKWVPUHB-INIZCTEOSA-N 0 3 301.361 3.275 20 10 DGCDHN CCOC(=O)CC1CC[NH+](Cc2cc(F)cc(C)c2[O-])CC1 ZINC001238064022 1100348837 /nfs/dbraw/zinc/34/88/37/1100348837.db2.gz NRTXTTBOWZBICS-UHFFFAOYSA-N 0 3 309.381 3.005 20 10 DGCDHN C[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1[O-] ZINC001191681649 1100496799 /nfs/dbraw/zinc/49/67/99/1100496799.db2.gz GZDHJRUPTHBIEL-UHFFFAOYSA-N 0 3 321.323 3.388 20 10 DGCDHN C[N@@H+](CCc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1[O-] ZINC001191681649 1100496802 /nfs/dbraw/zinc/49/68/02/1100496802.db2.gz GZDHJRUPTHBIEL-UHFFFAOYSA-N 0 3 321.323 3.388 20 10 DGCDHN Cn1ccc2ccc(-c3cncc([C@@H]4CN5CCC4CC5)n3)cc21 ZINC001240574216 1101056252 /nfs/dbraw/zinc/05/62/52/1101056252.db2.gz ZCCHKCNBJZWFGU-QGZVFWFLSA-N 0 3 318.424 3.445 20 10 DGCDHN CC[C@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1ccc(C)cc1[O-] ZINC001326872623 1103466714 /nfs/dbraw/zinc/46/67/14/1103466714.db2.gz ANHFMOXYEUAQSB-HNNXBMFYSA-N 0 3 301.390 3.054 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C/C=C\C2CC2)c1[O-] ZINC001327869626 1103749257 /nfs/dbraw/zinc/74/92/57/1103749257.db2.gz YRUVZOKHTNOEOB-IHWYPQMZSA-N 0 3 312.207 3.219 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC001249208592 1105247428 /nfs/dbraw/zinc/24/74/28/1105247428.db2.gz XPIKPQRQVXYZGB-QGZVFWFLSA-N 0 3 311.381 3.055 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC001249208592 1105247433 /nfs/dbraw/zinc/24/74/33/1105247433.db2.gz XPIKPQRQVXYZGB-QGZVFWFLSA-N 0 3 311.381 3.055 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)ccc2O1 ZINC001249251839 1105256193 /nfs/dbraw/zinc/25/61/93/1105256193.db2.gz ALOIJDLBSJRHJV-GJZGRUSLSA-N 0 3 315.413 3.045 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H]4COC[C@@H]4C3)ccc2O1 ZINC001249251839 1105256199 /nfs/dbraw/zinc/25/61/99/1105256199.db2.gz ALOIJDLBSJRHJV-GJZGRUSLSA-N 0 3 315.413 3.045 20 10 DGCDHN CCC[N@H+](CCOC)Cc1cc(C)c(Br)cc1[O-] ZINC001250117415 1105445520 /nfs/dbraw/zinc/44/55/20/1105445520.db2.gz ORVQYBHHVHKBRS-UHFFFAOYSA-N 0 3 316.239 3.322 20 10 DGCDHN CCC[N@@H+](CCOC)Cc1cc(C)c(Br)cc1[O-] ZINC001250117415 1105445524 /nfs/dbraw/zinc/44/55/24/1105445524.db2.gz ORVQYBHHVHKBRS-UHFFFAOYSA-N 0 3 316.239 3.322 20 10 DGCDHN C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1[O-] ZINC001254568282 1106105697 /nfs/dbraw/zinc/10/56/97/1106105697.db2.gz YTBAZWMRIGQXCH-CYBMUJFWSA-N 0 3 300.358 3.363 20 10 DGCDHN C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1[O-] ZINC001254568282 1106105703 /nfs/dbraw/zinc/10/57/03/1106105703.db2.gz YTBAZWMRIGQXCH-CYBMUJFWSA-N 0 3 300.358 3.363 20 10 DGCDHN CCOc1ccc(N2CCN([C@@H](C)Cc3ccco3)CC2)cc1 ZINC001258197354 1106693975 /nfs/dbraw/zinc/69/39/75/1106693975.db2.gz GDXSGVNQTMGETH-INIZCTEOSA-N 0 3 314.429 3.432 20 10 DGCDHN COc1ccc(C[C@H](C)[N@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC001319716452 1108608059 /nfs/dbraw/zinc/60/80/59/1108608059.db2.gz PUORDOOPUJZUOR-AWEZNQCLSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccc(C[C@H](C)[N@@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC001319716452 1108608062 /nfs/dbraw/zinc/60/80/62/1108608062.db2.gz PUORDOOPUJZUOR-AWEZNQCLSA-N 0 3 315.413 3.472 20 10 DGCDHN CCCC[C@H](COC)NCc1cc(F)c(N(C)C)cc1F ZINC001308278062 1111410007 /nfs/dbraw/zinc/41/00/07/1111410007.db2.gz XKCVUSVFNDLHKW-CYBMUJFWSA-N 0 3 300.393 3.326 20 10 DGCDHN CCOC1(CNCc2cc(F)c(N(C)C)cc2F)CCCC1 ZINC001308416316 1111427448 /nfs/dbraw/zinc/42/74/48/1111427448.db2.gz JYFZCYLUKFOMNO-UHFFFAOYSA-N 0 3 312.404 3.470 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H](Cc2ccccc2)OC)c([O-])c1 ZINC001308776561 1111474178 /nfs/dbraw/zinc/47/41/78/1111474178.db2.gz PJXUHUDCOWGQJA-QGZVFWFLSA-N 0 3 315.413 3.057 20 10 DGCDHN COc1cccc([C@H](C[NH2+]Cc2cc(C)ccc2[O-])N(C)C)c1 ZINC000103854798 432012395 /nfs/dbraw/zinc/01/23/95/432012395.db2.gz GHQLHWONVAWIMN-SFHVURJKSA-N 0 3 314.429 3.102 20 10 DGCDHN CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268716625 432125468 /nfs/dbraw/zinc/12/54/68/432125468.db2.gz IUYOVVOHGCPEIQ-HOTGVXAUSA-N 0 3 317.477 3.242 20 10 DGCDHN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000268864337 432144999 /nfs/dbraw/zinc/14/49/99/432144999.db2.gz SZEMEHCQXDLYGB-SWLSCSKDSA-N 0 3 316.367 3.251 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NC[C@H](O)c2ccc(C)o2)cc1 ZINC000268997166 432150065 /nfs/dbraw/zinc/15/00/65/432150065.db2.gz OBDBBVZWHVLOGP-PBHICJAKSA-N 0 3 302.418 3.428 20 10 DGCDHN Cc1nc2ccccc2n1CCNCc1ccc2c(c1)CCO2 ZINC000043288649 183351376 /nfs/dbraw/zinc/35/13/76/183351376.db2.gz LHQAKGOFMYPPAJ-UHFFFAOYSA-N 0 3 307.397 3.069 20 10 DGCDHN COc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000176980278 533499464 /nfs/dbraw/zinc/49/94/64/533499464.db2.gz NBDPMYIIWRVZSX-LBPRGKRZSA-N 0 3 319.376 3.442 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000179884741 533541787 /nfs/dbraw/zinc/54/17/87/533541787.db2.gz LWFACQQGHGSHBN-PBHICJAKSA-N 0 3 310.397 3.238 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000179877870 533542729 /nfs/dbraw/zinc/54/27/29/533542729.db2.gz ZKLHYMDQEOGXBY-QAPCUYQASA-N 0 3 324.424 3.234 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c([O-])c1C ZINC000273298329 130104935 /nfs/dbraw/zinc/10/49/35/130104935.db2.gz APQAZJLOEKFZLY-HNNXBMFYSA-N 0 3 322.412 3.441 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c([O-])c1C ZINC000273467878 130125265 /nfs/dbraw/zinc/12/52/65/130125265.db2.gz FCGUOKZOLNZVSO-PBHICJAKSA-N 0 3 308.491 3.097 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000273490327 130127659 /nfs/dbraw/zinc/12/76/59/130127659.db2.gz OBSNIAGUIQUWLM-IUUKEHGRSA-N 0 3 319.376 3.313 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c1 ZINC000273532163 130133707 /nfs/dbraw/zinc/13/37/07/130133707.db2.gz WRCNNJVJHYBCMN-UONOGXRCSA-N 0 3 307.434 3.240 20 10 DGCDHN Cc1nccn1CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273559468 130137350 /nfs/dbraw/zinc/13/73/50/130137350.db2.gz HSXHJDZJWRICOC-JTQLQIEISA-N 0 3 324.222 3.010 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c([O-])c1 ZINC000273624136 130146684 /nfs/dbraw/zinc/14/66/84/130146684.db2.gz ZXMYCHGFQSLCKK-AWEZNQCLSA-N 0 3 324.424 3.444 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])[C@]12CCCO2 ZINC000274146196 130210903 /nfs/dbraw/zinc/21/09/03/130210903.db2.gz DSXYHJBVZXATLG-BVPBIZIASA-N 0 3 305.418 3.078 20 10 DGCDHN COC(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000275334227 130305730 /nfs/dbraw/zinc/30/57/30/130305730.db2.gz VZYNIGODRPXKLG-UHFFFAOYSA-N 0 3 311.381 3.102 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)c([O-])c1 ZINC000284879843 131118677 /nfs/dbraw/zinc/11/86/77/131118677.db2.gz BJMAGUFMTAHZLH-OAHLLOKOSA-N 0 3 304.434 3.062 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000285021606 131132090 /nfs/dbraw/zinc/13/20/90/131132090.db2.gz KAEVDTDHNOWZMU-WMZOPIPTSA-N 0 3 305.418 3.324 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000285021606 131132091 /nfs/dbraw/zinc/13/20/91/131132091.db2.gz KAEVDTDHNOWZMU-WMZOPIPTSA-N 0 3 305.418 3.324 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c([O-])c1C ZINC000285843422 131205396 /nfs/dbraw/zinc/20/53/96/131205396.db2.gz YPGFTKMSHBASOD-JCKWVBRZSA-N 0 3 318.461 3.353 20 10 DGCDHN COCCCOc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000289346044 131375866 /nfs/dbraw/zinc/37/58/66/131375866.db2.gz IMQFSQNSVXYPOX-UHFFFAOYSA-N 0 3 319.376 3.236 20 10 DGCDHN CCCN(Cc1cnc([C@H](C)O)s1)Cc1ccccc1O ZINC000289368184 131379544 /nfs/dbraw/zinc/37/95/44/131379544.db2.gz OTVSZNRGYIQJPH-LBPRGKRZSA-N 0 3 306.431 3.314 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)c([O-])c1 ZINC000289406913 131383710 /nfs/dbraw/zinc/38/37/10/131383710.db2.gz HFRCQZXUJWWCFL-GOSISDBHSA-N 0 3 315.413 3.394 20 10 DGCDHN COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297794785 132034778 /nfs/dbraw/zinc/03/47/78/132034778.db2.gz QBWDNFVCKAGABT-HIFRSBDPSA-N 0 3 313.397 3.445 20 10 DGCDHN CCOc1ccc(O)c(CN(C)[C@@H](CCO)c2ccccc2)c1 ZINC000093442739 400246470 /nfs/dbraw/zinc/24/64/70/400246470.db2.gz PMRONMCRSULKMX-SFHVURJKSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1 ZINC000093442739 400246473 /nfs/dbraw/zinc/24/64/73/400246473.db2.gz PMRONMCRSULKMX-SFHVURJKSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1 ZINC000093442739 400246474 /nfs/dbraw/zinc/24/64/74/400246474.db2.gz PMRONMCRSULKMX-SFHVURJKSA-N 0 3 315.413 3.346 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(NC(N)=O)cc1 ZINC000079001173 287040742 /nfs/dbraw/zinc/04/07/42/287040742.db2.gz INHJPUHZPRWLEJ-CYBMUJFWSA-N 0 3 312.417 3.094 20 10 DGCDHN CC[C@H](NC[C@@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000269078458 432153832 /nfs/dbraw/zinc/15/38/32/432153832.db2.gz YWKVLLFEAZSKHO-DLBZAZTESA-N 0 3 302.418 3.428 20 10 DGCDHN COCc1ccc([C@@H]2CCCN2Cc2cc(OC)ccc2O)o1 ZINC000137072833 432170630 /nfs/dbraw/zinc/17/06/30/432170630.db2.gz STWWLMMIXFCRSA-INIZCTEOSA-N 0 3 317.385 3.477 20 10 DGCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000179623513 228352985 /nfs/dbraw/zinc/35/29/85/228352985.db2.gz RJOSOQZTFWJVTL-MRXNPFEDSA-N 0 3 322.412 3.123 20 10 DGCDHN Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000179623513 228352986 /nfs/dbraw/zinc/35/29/86/228352986.db2.gz RJOSOQZTFWJVTL-MRXNPFEDSA-N 0 3 322.412 3.123 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1[O-] ZINC000074334541 431414279 /nfs/dbraw/zinc/41/42/79/431414279.db2.gz CRLPXBLWUJNVAY-KRWDZBQOSA-N 0 3 314.429 3.183 20 10 DGCDHN COc1cccc(C[NH2+]CCCN(C)Cc2ccccc2)c1[O-] ZINC000074314569 431411959 /nfs/dbraw/zinc/41/19/59/431411959.db2.gz VEMUDSGXRFEUDV-UHFFFAOYSA-N 0 3 314.429 3.013 20 10 DGCDHN COc1cc(Cl)cc(CNCc2ccccc2OC)c1O ZINC000076274316 431537786 /nfs/dbraw/zinc/53/77/86/431537786.db2.gz PBZPHRNWASTZJR-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN COc1cccc(CN(C)CCOc2ccccc2F)c1O ZINC000121522667 431799202 /nfs/dbraw/zinc/79/92/02/431799202.db2.gz XWDXDFYLICWJTN-UHFFFAOYSA-N 0 3 305.349 3.051 20 10 DGCDHN COc1cccc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c1[O-] ZINC000093593470 431916000 /nfs/dbraw/zinc/91/60/00/431916000.db2.gz CXBXINZTFHAWSR-CQSZACIVSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c1[O-] ZINC000093593470 431916002 /nfs/dbraw/zinc/91/60/02/431916002.db2.gz CXBXINZTFHAWSR-CQSZACIVSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000093704393 431916837 /nfs/dbraw/zinc/91/68/37/431916837.db2.gz DBRLVVYAKIMQRD-KRWDZBQOSA-N 0 3 312.413 3.477 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000093704393 431916838 /nfs/dbraw/zinc/91/68/38/431916838.db2.gz DBRLVVYAKIMQRD-KRWDZBQOSA-N 0 3 312.413 3.477 20 10 DGCDHN CCCOc1ccc(CN2CC[C@@H](C[NH+](CC)CC)C2)c([O-])c1 ZINC000093693578 431917688 /nfs/dbraw/zinc/91/76/88/431917688.db2.gz NKHAPYJUUSPHGL-INIZCTEOSA-N 0 3 320.477 3.345 20 10 DGCDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000101905975 431990247 /nfs/dbraw/zinc/99/02/47/431990247.db2.gz GQHCNWKIOYNRRB-MRXNPFEDSA-N 0 3 318.461 3.137 20 10 DGCDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000101905975 431990248 /nfs/dbraw/zinc/99/02/48/431990248.db2.gz GQHCNWKIOYNRRB-MRXNPFEDSA-N 0 3 318.461 3.137 20 10 DGCDHN COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183568964 432303379 /nfs/dbraw/zinc/30/33/79/432303379.db2.gz SRWVAQSFTSHIFW-GUYCJALGSA-N 0 3 301.386 3.175 20 10 DGCDHN COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183569016 432303989 /nfs/dbraw/zinc/30/39/89/432303989.db2.gz SRWVAQSFTSHIFW-CXAGYDPISA-N 0 3 301.386 3.175 20 10 DGCDHN COc1cc(O)c(CN(C)Cc2cccc(C)c2)cc1OC ZINC000271075401 432327290 /nfs/dbraw/zinc/32/72/90/432327290.db2.gz GSAWVSBGBZJOAS-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN CCCCCC(=O)NC1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000271145008 432336647 /nfs/dbraw/zinc/33/66/47/432336647.db2.gz CCFICPSHYJCRLB-UHFFFAOYSA-N 0 3 318.461 3.362 20 10 DGCDHN C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000184292329 432376777 /nfs/dbraw/zinc/37/67/77/432376777.db2.gz WSQMBPDCSKALRN-GXZWQRSESA-N 0 3 308.491 3.095 20 10 DGCDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000184305504 432378873 /nfs/dbraw/zinc/37/88/73/432378873.db2.gz XEGFMPQYYNKISI-ZMPRRUGASA-N 0 3 322.518 3.485 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000271302098 432371706 /nfs/dbraw/zinc/37/17/06/432371706.db2.gz UMKXDXHEYUTGEC-DOTOQJQBSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000271302098 432371709 /nfs/dbraw/zinc/37/17/09/432371709.db2.gz UMKXDXHEYUTGEC-DOTOQJQBSA-N 0 3 301.386 3.382 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000271952787 432431221 /nfs/dbraw/zinc/43/12/21/432431221.db2.gz FATGXXDIXAAZMG-RDJZCZTQSA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@](O)(C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1Cl ZINC000184960348 432449516 /nfs/dbraw/zinc/44/95/16/432449516.db2.gz XZOXHBMAIAWVOX-INIZCTEOSA-N 0 3 309.768 3.182 20 10 DGCDHN COc1cccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N(C)C)c1 ZINC000192865305 432424618 /nfs/dbraw/zinc/42/46/18/432424618.db2.gz WWAOJVLAYLKEOP-KDOFPFPSSA-N 0 3 314.429 3.354 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@H]2c2ccc[nH]2)cc1OC ZINC000271805042 432424805 /nfs/dbraw/zinc/42/48/05/432424805.db2.gz MCSBYNLZEJUWHD-AWEZNQCLSA-N 0 3 302.374 3.075 20 10 DGCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1[O-] ZINC000271826993 432427326 /nfs/dbraw/zinc/42/73/26/432427326.db2.gz OBCFBGVAXAQNGA-OAHLLOKOSA-N 0 3 313.401 3.341 20 10 DGCDHN Cc1cccc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1[O-] ZINC000271826993 432427328 /nfs/dbraw/zinc/42/73/28/432427328.db2.gz OBCFBGVAXAQNGA-OAHLLOKOSA-N 0 3 313.401 3.341 20 10 DGCDHN COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000185418888 432498670 /nfs/dbraw/zinc/49/86/70/432498670.db2.gz BQQCPPQKMLJQLE-FZKQIMNGSA-N 0 3 301.386 3.093 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185442663 432500516 /nfs/dbraw/zinc/50/05/16/432500516.db2.gz YSYQAWHYVZFTNH-KBPBESRZSA-N 0 3 320.433 3.361 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442322 432501295 /nfs/dbraw/zinc/50/12/95/432501295.db2.gz CQFMXTSAMCDACV-KGLIPLIRSA-N 0 3 320.433 3.361 20 10 DGCDHN COCc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000193893706 432507097 /nfs/dbraw/zinc/50/70/97/432507097.db2.gz DFIWVKCEVGOTPB-ZDUSSCGKSA-N 0 3 301.386 3.398 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OC(C)C)nc2)c1 ZINC000185046112 432460921 /nfs/dbraw/zinc/46/09/21/432460921.db2.gz SVABRTOOKGPXJV-ZDUSSCGKSA-N 0 3 316.401 3.434 20 10 DGCDHN C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(F)ccc1[O-] ZINC000185091323 432465253 /nfs/dbraw/zinc/46/52/53/432465253.db2.gz UWXOHZJSVMPCAQ-LBPRGKRZSA-N 0 3 308.397 3.021 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c([O-])c1 ZINC000186136672 432561525 /nfs/dbraw/zinc/56/15/25/432561525.db2.gz YHTOZPGJOFFGBG-JJRVBVJISA-N 0 3 307.459 3.406 20 10 DGCDHN CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000185657327 432520695 /nfs/dbraw/zinc/52/06/95/432520695.db2.gz UWXNLBUGRIUJOJ-FQSKDFRHSA-N 0 3 309.475 3.431 20 10 DGCDHN CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000185657775 432521116 /nfs/dbraw/zinc/52/11/16/432521116.db2.gz FJASGGPQGYOTMG-FQSKDFRHSA-N 0 3 309.475 3.431 20 10 DGCDHN C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000186166135 432564601 /nfs/dbraw/zinc/56/46/01/432564601.db2.gz FLUYDYBYOUISHH-SGTLLEGYSA-N 0 3 301.361 3.016 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1[O-] ZINC000155070951 432537585 /nfs/dbraw/zinc/53/75/85/432537585.db2.gz IMCMJIVGRPOARP-QGZVFWFLSA-N 0 3 305.805 3.351 20 10 DGCDHN CCc1nn(C)c(CC)c1CN[C@@H](C)c1cc(OC)ccc1O ZINC000186176888 432564872 /nfs/dbraw/zinc/56/48/72/432564872.db2.gz SZFKXPOGRXBALZ-LBPRGKRZSA-N 0 3 317.433 3.110 20 10 DGCDHN C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000186190291 432566433 /nfs/dbraw/zinc/56/64/33/432566433.db2.gz WNSXCOUTFNGOIM-GTNSWQLSSA-N 0 3 307.340 3.229 20 10 DGCDHN CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186177065 432566558 /nfs/dbraw/zinc/56/65/58/432566558.db2.gz OPNCBCOHCJCRHS-ZDUSSCGKSA-N 0 3 301.434 3.410 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1 ZINC000186230521 432570567 /nfs/dbraw/zinc/57/05/67/432570567.db2.gz XEXBUMUVUQKTHV-UKRRQHHQSA-N 0 3 321.417 3.127 20 10 DGCDHN CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187180900 432649795 /nfs/dbraw/zinc/64/97/95/432649795.db2.gz NNDWCVVRAGHYHP-QMTHXVAHSA-N 0 3 316.239 3.275 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227686802 432713776 /nfs/dbraw/zinc/71/37/76/432713776.db2.gz JZIKRHSPFKMVSO-STQMWFEESA-N 0 3 308.422 3.264 20 10 DGCDHN CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187701360 432677640 /nfs/dbraw/zinc/67/76/40/432677640.db2.gz UPPBXTYMJZSPLP-QWHCGFSZSA-N 0 3 312.404 3.441 20 10 DGCDHN CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187701360 432677645 /nfs/dbraw/zinc/67/76/45/432677645.db2.gz UPPBXTYMJZSPLP-QWHCGFSZSA-N 0 3 312.404 3.441 20 10 DGCDHN CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187701360 432677647 /nfs/dbraw/zinc/67/76/47/432677647.db2.gz UPPBXTYMJZSPLP-QWHCGFSZSA-N 0 3 312.404 3.441 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1COC3(CCCCC3)O1)CC2 ZINC000296979584 432944828 /nfs/dbraw/zinc/94/48/28/432944828.db2.gz RVVGHKSPBQBZEK-LSDHHAIUSA-N 0 3 303.402 3.045 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c([O-])c1C ZINC000278778199 432900693 /nfs/dbraw/zinc/90/06/93/432900693.db2.gz YECNSVDHBIZTHE-DOTOQJQBSA-N 0 3 320.477 3.161 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000289814572 432974436 /nfs/dbraw/zinc/97/44/36/432974436.db2.gz SZPQCVHWADAXMK-GOEBONIOSA-N 0 3 307.434 3.306 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000289814572 432974440 /nfs/dbraw/zinc/97/44/40/432974440.db2.gz SZPQCVHWADAXMK-GOEBONIOSA-N 0 3 307.434 3.306 20 10 DGCDHN CCOC(=O)N1CCC([NH2+][C@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000280189270 433011745 /nfs/dbraw/zinc/01/17/45/433011745.db2.gz SEHYTMUOKOPIJP-MRXNPFEDSA-N 0 3 320.433 3.362 20 10 DGCDHN CC[C@H]([NH2+]CCCC(=O)N(CC)CC)c1ccc(C)cc1[O-] ZINC000280263828 433024779 /nfs/dbraw/zinc/02/47/79/433024779.db2.gz XJMCGUUWLTUUHS-INIZCTEOSA-N 0 3 306.450 3.390 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CCOCc2ccccc2)c1 ZINC000290285006 433025026 /nfs/dbraw/zinc/02/50/26/433025026.db2.gz ZMMSHIBZEFRMHB-OAHLLOKOSA-N 0 3 315.413 3.486 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c([O-])c1 ZINC000290987919 433216802 /nfs/dbraw/zinc/21/68/02/433216802.db2.gz UWARRBNHKQJOGF-QGZVFWFLSA-N 0 3 307.434 3.068 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000291060820 433220234 /nfs/dbraw/zinc/22/02/34/433220234.db2.gz PJTFVKLAVYWNPX-OAHLLOKOSA-N 0 3 314.404 3.456 20 10 DGCDHN COCCOCc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000291296491 433234769 /nfs/dbraw/zinc/23/47/69/433234769.db2.gz SCIGDQCDFHYTAN-HNNXBMFYSA-N 0 3 315.413 3.406 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1[O-] ZINC000291765090 433343136 /nfs/dbraw/zinc/34/31/36/433343136.db2.gz SASOBJFOAYFEKM-DIFFPNOSSA-N 0 3 319.426 3.254 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1[O-] ZINC000291765094 433343784 /nfs/dbraw/zinc/34/37/84/433343784.db2.gz SASOBJFOAYFEKM-GTNSWQLSSA-N 0 3 319.426 3.254 20 10 DGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1 ZINC000375265735 433400438 /nfs/dbraw/zinc/40/04/38/433400438.db2.gz BOICMNZCSCYPAP-UHFFFAOYSA-N 0 3 315.417 3.202 20 10 DGCDHN C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC000271640821 289977615 /nfs/dbraw/zinc/97/76/15/289977615.db2.gz DSYRLFOIGJJJOC-YOEHRIQHSA-N 0 3 304.434 3.089 20 10 DGCDHN CCCC[N@H+](Cc1cnc2cnccn12)Cc1ccccc1[O-] ZINC000282842978 433636148 /nfs/dbraw/zinc/63/61/48/433636148.db2.gz CUORSJPVXKAQJU-UHFFFAOYSA-N 0 3 310.401 3.237 20 10 DGCDHN CCCC[N@@H+](Cc1cnc2cnccn12)Cc1ccccc1[O-] ZINC000282842978 433636154 /nfs/dbraw/zinc/63/61/54/433636154.db2.gz CUORSJPVXKAQJU-UHFFFAOYSA-N 0 3 310.401 3.237 20 10 DGCDHN CC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H](C)CO ZINC000292859048 433603072 /nfs/dbraw/zinc/60/30/72/433603072.db2.gz VBVQFELMWBGRCJ-OAHLLOKOSA-N 0 3 315.413 3.174 20 10 DGCDHN CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H](C)CO ZINC000292859048 433603083 /nfs/dbraw/zinc/60/30/83/433603083.db2.gz VBVQFELMWBGRCJ-OAHLLOKOSA-N 0 3 315.413 3.174 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1[O-] ZINC000282660310 433623049 /nfs/dbraw/zinc/62/30/49/433623049.db2.gz LVMWIVFKCQBXTJ-INIZCTEOSA-N 0 3 305.418 3.230 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)c([O-])c1 ZINC000293630679 433805846 /nfs/dbraw/zinc/80/58/46/433805846.db2.gz HNORCKDQGKGDFM-HZPDHXFCSA-N 0 3 307.434 3.245 20 10 DGCDHN C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])CN(C)C ZINC000293714115 433836633 /nfs/dbraw/zinc/83/66/33/433836633.db2.gz PBZZJOZPAABSEJ-GHMZBOCLSA-N 0 3 315.255 3.003 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c([O-])c1 ZINC000293812339 433878119 /nfs/dbraw/zinc/87/81/19/433878119.db2.gz RRFWDDVMPPKTDA-OAHLLOKOSA-N 0 3 318.461 3.308 20 10 DGCDHN CN(Cc1cccs1)c1ccc(CN2CCC(O)CC2)cc1 ZINC000294538181 434118166 /nfs/dbraw/zinc/11/81/66/434118166.db2.gz IDGCWNQQFYFFAY-UHFFFAOYSA-N 0 3 316.470 3.341 20 10 DGCDHN CCOc1ccc(O)c(CNCc2cnc(OC)c(Cl)c2)c1 ZINC000294687734 434127970 /nfs/dbraw/zinc/12/79/70/434127970.db2.gz AHZKWTQYYSHCGC-UHFFFAOYSA-N 0 3 322.792 3.138 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1F ZINC000378338182 434148778 /nfs/dbraw/zinc/14/87/78/434148778.db2.gz XXXGJUVIJITZBH-OAHLLOKOSA-N 0 3 316.424 3.005 20 10 DGCDHN CO[C@@H](C)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000295068242 434179843 /nfs/dbraw/zinc/17/98/43/434179843.db2.gz QVBYUEBSIANOET-HNNXBMFYSA-N 0 3 315.413 3.486 20 10 DGCDHN CN(C)c1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1F ZINC000295076037 434184062 /nfs/dbraw/zinc/18/40/62/434184062.db2.gz PTSFLDHQIRIICW-SFHVURJKSA-N 0 3 302.393 3.057 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CCc3sccc3C1)CC2 ZINC000296110898 434512442 /nfs/dbraw/zinc/51/24/42/434512442.db2.gz USTXZCABRBCOML-OAHLLOKOSA-N 0 3 314.454 3.089 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1 ZINC000273585112 295167475 /nfs/dbraw/zinc/16/74/75/295167475.db2.gz NNIAIAGTRDNOHR-VHSXEESVSA-N 0 3 307.312 3.019 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000368653158 434580363 /nfs/dbraw/zinc/58/03/63/434580363.db2.gz QCJRPDPVRNILDF-JBBXEZCESA-N 0 3 305.418 3.257 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c([O-])c1C ZINC000368477330 434575351 /nfs/dbraw/zinc/57/53/51/434575351.db2.gz FQFKSRLZPMPEOX-OAHLLOKOSA-N 0 3 313.445 3.435 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1[O-] ZINC000370373366 434612230 /nfs/dbraw/zinc/61/22/30/434612230.db2.gz JBCBKOOKPVNZDC-SJKOYZFVSA-N 0 3 300.377 3.369 20 10 DGCDHN COc1cccc([C@@H](C[NH2+]Cc2cccc(C)c2[O-])OC)c1 ZINC000529639291 435038196 /nfs/dbraw/zinc/03/81/96/435038196.db2.gz PSLJZGSNIQSYEV-QGZVFWFLSA-N 0 3 301.386 3.187 20 10 DGCDHN COc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2[O-])C2CC2)cn1 ZINC000529687486 435039601 /nfs/dbraw/zinc/03/96/01/435039601.db2.gz FBEBIVKJQLRWMF-KRWDZBQOSA-N 0 3 302.349 3.176 20 10 DGCDHN Cc1cccc2c1CCCN2C(=O)c1cccc2c1CCNC2 ZINC000662604037 436368656 /nfs/dbraw/zinc/36/86/56/436368656.db2.gz ZPMBQQCTPBMIGG-UHFFFAOYSA-N 0 3 306.409 3.234 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CC)COCC(F)(F)F)c1 ZINC000295200582 334220699 /nfs/dbraw/zinc/22/06/99/334220699.db2.gz YQLLOLOFKUAIKY-LBPRGKRZSA-N 0 3 321.339 3.238 20 10 DGCDHN COc1cccc([C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)OC)c1 ZINC000527924354 337775469 /nfs/dbraw/zinc/77/54/69/337775469.db2.gz GUAROTVBRGQKJW-FUHWJXTLSA-N 0 3 313.397 3.365 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000184682149 533952828 /nfs/dbraw/zinc/95/28/28/533952828.db2.gz YMIWJZXHNBDEMR-NSHDSACASA-N 0 3 321.808 3.157 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000184682149 533952832 /nfs/dbraw/zinc/95/28/32/533952832.db2.gz YMIWJZXHNBDEMR-NSHDSACASA-N 0 3 321.808 3.157 20 10 DGCDHN COc1ccc(O)c(CN2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000179631151 534198898 /nfs/dbraw/zinc/19/88/98/534198898.db2.gz NJYTUCCTQBXYQW-UHFFFAOYSA-N 0 3 311.381 3.396 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCC[S@@](=O)C(C)(C)C)cc1 ZINC000127275448 520288661 /nfs/dbraw/zinc/28/86/61/520288661.db2.gz ROCGMNXBLFMWRL-QKKBWIMNSA-N 0 3 310.507 3.341 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000236818093 520366147 /nfs/dbraw/zinc/36/61/47/520366147.db2.gz QOFALVQMUONLCS-GOSISDBHSA-N 0 3 319.376 3.143 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000236820832 520366443 /nfs/dbraw/zinc/36/64/43/520366443.db2.gz QOFALVQMUONLCS-SFHVURJKSA-N 0 3 319.376 3.143 20 10 DGCDHN CCOc1ccc(O)c(CN[C@H](CCO)c2ccccc2)c1 ZINC000265906578 521155254 /nfs/dbraw/zinc/15/52/54/521155254.db2.gz WROMHHMCVZUMKX-QGZVFWFLSA-N 0 3 301.386 3.004 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCS[C@H](C)CC2)c1[O-] ZINC000190694414 522537182 /nfs/dbraw/zinc/53/71/82/522537182.db2.gz OZERORJMUSUODX-SNVBAGLBSA-N 0 3 301.839 3.382 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCS[C@H](C)CC2)c1[O-] ZINC000190694414 522537191 /nfs/dbraw/zinc/53/71/91/522537191.db2.gz OZERORJMUSUODX-SNVBAGLBSA-N 0 3 301.839 3.382 20 10 DGCDHN CC[C@@](C)(CCO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000182626516 523637083 /nfs/dbraw/zinc/63/70/83/523637083.db2.gz HUFUAPKUSRXFJA-AWEZNQCLSA-N 0 3 316.239 3.104 20 10 DGCDHN COc1ccc(N2CCC(NCc3c(C)noc3C)CC2)cc1 ZINC000368899300 524404425 /nfs/dbraw/zinc/40/44/25/524404425.db2.gz IKYLAILFPHULMF-UHFFFAOYSA-N 0 3 315.417 3.059 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000186189774 524763048 /nfs/dbraw/zinc/76/30/48/524763048.db2.gz RZMZDNBRABRPQU-XIKOKIGWSA-N 0 3 319.376 3.098 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000182894595 524772804 /nfs/dbraw/zinc/77/28/04/524772804.db2.gz NAOABWBHZXUEAA-HOCLYGCPSA-N 0 3 315.413 3.045 20 10 DGCDHN COc1ccc([C@@H]2CC[N@H+](Cc3cc(OC)ccc3[O-])C2)cc1 ZINC000179955218 525254407 /nfs/dbraw/zinc/25/44/07/525254407.db2.gz SRTVJXBDSUZIAD-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3cc(OC)ccc3[O-])C2)cc1 ZINC000179955218 525254413 /nfs/dbraw/zinc/25/44/13/525254413.db2.gz SRTVJXBDSUZIAD-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN CSC[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265698051 525661954 /nfs/dbraw/zinc/66/19/54/525661954.db2.gz PSACTCZCECXRKT-SFHVURJKSA-N 0 3 317.454 3.263 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c([O-])c1 ZINC000186190018 525731514 /nfs/dbraw/zinc/73/15/14/525731514.db2.gz OEWXSSDMQOSDGD-FZKQIMNGSA-N 0 3 303.377 3.398 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000132477313 526362552 /nfs/dbraw/zinc/36/25/52/526362552.db2.gz MHXLXFBWLHPTMT-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN CCN(CC)C(=O)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000285200500 535419889 /nfs/dbraw/zinc/41/98/89/535419889.db2.gz OBLKYHLAZNBLLT-OAHLLOKOSA-N 0 3 306.450 3.308 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1 ZINC000288480241 535752453 /nfs/dbraw/zinc/75/24/53/535752453.db2.gz GKJWJBQAHMQURH-SCLBCKFNSA-N 0 3 301.386 3.003 20 10 DGCDHN CC(C)(NCc1ccc2c(c1)CCO2)C(=O)Nc1ccccc1 ZINC000731041550 574541889 /nfs/dbraw/zinc/54/18/89/574541889.db2.gz GEFHATUVPIUGND-UHFFFAOYSA-N 0 3 310.397 3.128 20 10 DGCDHN COc1cccc(CN[C@@H]2CCOc3c(OC)cccc32)c1O ZINC000733331618 574616977 /nfs/dbraw/zinc/61/69/77/574616977.db2.gz FDCNJYZKAWBNLI-CQSZACIVSA-N 0 3 315.369 3.023 20 10 DGCDHN Oc1cc2c(cc1CN[C@@H]1CSc3ccccc31)OCO2 ZINC000735508885 574704753 /nfs/dbraw/zinc/70/47/53/574704753.db2.gz PTDPFBKLHFEBCZ-GFCCVEGCSA-N 0 3 301.367 3.058 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H](C)Cc2cccc(O)c2)c1[O-] ZINC000729681241 575259798 /nfs/dbraw/zinc/25/97/98/575259798.db2.gz YPUKDTNQMPDDKV-CYBMUJFWSA-N 0 3 301.386 3.217 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1[O-] ZINC000752264449 575829640 /nfs/dbraw/zinc/82/96/40/575829640.db2.gz DLZPWGNGITXKRC-XEKQOVJPSA-N 0 3 313.397 3.444 20 10 DGCDHN Cc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000725780395 575912664 /nfs/dbraw/zinc/91/26/64/575912664.db2.gz UMADJSAQFSPHND-AWEZNQCLSA-N 0 3 311.381 3.419 20 10 DGCDHN Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000725780395 575912667 /nfs/dbraw/zinc/91/26/67/575912667.db2.gz UMADJSAQFSPHND-AWEZNQCLSA-N 0 3 311.381 3.419 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000728301170 576174444 /nfs/dbraw/zinc/17/44/44/576174444.db2.gz KDIZKRDZIYSUFI-AWEZNQCLSA-N 0 3 324.424 3.373 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)c1cccc2c1CNC2 ZINC000852799400 620649513 /nfs/dbraw/zinc/64/95/13/620649513.db2.gz DWNJDJKPGYPOFC-UHFFFAOYSA-N 0 3 310.397 3.048 20 10 DGCDHN CN1CCN(Cc2cc3c(cc2O)CCC3)[C@H](c2ccccc2)C1 ZINC000917462508 620669369 /nfs/dbraw/zinc/66/93/69/620669369.db2.gz HNFINSLSCYDJNK-FQEVSTJZSA-N 0 3 322.452 3.370 20 10 DGCDHN COc1cc(O)c(CN2CCc3ccc(C)cc3C2)cc1OC ZINC000853533635 620707275 /nfs/dbraw/zinc/70/72/75/620707275.db2.gz LLVUJGKZDXLCLI-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN CC[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000154976107 620749340 /nfs/dbraw/zinc/74/93/40/620749340.db2.gz YKEAGHYJPYNDDQ-UXLLHSPISA-N 0 3 320.477 3.321 20 10 DGCDHN COc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)c(O)c1OC ZINC000891481455 617811441 /nfs/dbraw/zinc/81/14/41/617811441.db2.gz YUQUNKZAGBTBEJ-LLVKDONJSA-N 0 3 319.323 3.184 20 10 DGCDHN COc1ccc(CN2CCC[C@H](C(F)(F)F)C2)c(O)c1OC ZINC000891481456 617812482 /nfs/dbraw/zinc/81/24/82/617812482.db2.gz YUQUNKZAGBTBEJ-NSHDSACASA-N 0 3 319.323 3.184 20 10 DGCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1(C)C ZINC000892102055 617962234 /nfs/dbraw/zinc/96/22/34/617962234.db2.gz REYOSEVFFMAJKU-LSDHHAIUSA-N 0 3 323.433 3.045 20 10 DGCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1(C)C ZINC000892102055 617962239 /nfs/dbraw/zinc/96/22/39/617962239.db2.gz REYOSEVFFMAJKU-LSDHHAIUSA-N 0 3 323.433 3.045 20 10 DGCDHN COc1ccc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1OC ZINC000892203091 617983790 /nfs/dbraw/zinc/98/37/90/617983790.db2.gz QEOZLTWSKRPIIB-RDTXWAMCSA-N 0 3 323.433 3.045 20 10 DGCDHN COc1ccc(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1OC ZINC000892203091 617983794 /nfs/dbraw/zinc/98/37/94/617983794.db2.gz QEOZLTWSKRPIIB-RDTXWAMCSA-N 0 3 323.433 3.045 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cnn(C)c2C2CC2)cc1 ZINC000892613828 618119338 /nfs/dbraw/zinc/11/93/38/618119338.db2.gz AVOLCQSNGFBNNV-UHFFFAOYSA-N 0 3 312.461 3.434 20 10 DGCDHN C[C@@H]([NH2+]CC12CC(C1)CN2)c1ccc(Cl)c(Cl)c1[O-] ZINC000854225963 620785605 /nfs/dbraw/zinc/78/56/05/620785605.db2.gz CBXKCCLZNGHAJM-NQTXRORDSA-N 0 3 301.217 3.102 20 10 DGCDHN COC(=O)c1ccc(CNCc2ccc3c(c2)CCO3)cc1C ZINC000892794475 618312781 /nfs/dbraw/zinc/31/27/81/618312781.db2.gz VCCYRXDABYOGOW-UHFFFAOYSA-N 0 3 311.381 3.006 20 10 DGCDHN CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000894535830 618375292 /nfs/dbraw/zinc/37/52/92/618375292.db2.gz OHQDVSSHOPLLJA-CQSZACIVSA-N 0 3 323.433 3.189 20 10 DGCDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000894535830 618375301 /nfs/dbraw/zinc/37/53/01/618375301.db2.gz OHQDVSSHOPLLJA-CQSZACIVSA-N 0 3 323.433 3.189 20 10 DGCDHN COc1cc(C)cc(CN[C@H]2CCOc3ccc(F)cc32)c1O ZINC000894231142 618734714 /nfs/dbraw/zinc/73/47/14/618734714.db2.gz NZMDUWJCOXHTPV-HNNXBMFYSA-N 0 3 317.360 3.462 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CC(C)(C)CO2)c1[O-] ZINC000895802580 618833670 /nfs/dbraw/zinc/83/36/70/618833670.db2.gz MWENONGQISVJBJ-ZDUSSCGKSA-N 0 3 313.825 3.349 20 10 DGCDHN C[C@@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000895852636 618842179 /nfs/dbraw/zinc/84/21/79/618842179.db2.gz YJPYUWWVWUCLMC-IYXRBSQSSA-N 0 3 320.433 3.346 20 10 DGCDHN COc1cc(C)cc(CNCc2nccc3c2CCCC3)c1O ZINC000896280870 618896449 /nfs/dbraw/zinc/89/64/49/618896449.db2.gz MPSYWFLZKXQTML-UHFFFAOYSA-N 0 3 312.413 3.273 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c1[O-] ZINC000897387446 619101575 /nfs/dbraw/zinc/10/15/75/619101575.db2.gz XEZVQSXKHKIQGE-AWEZNQCLSA-N 0 3 311.809 3.246 20 10 DGCDHN CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000897522974 619144989 /nfs/dbraw/zinc/14/49/89/619144989.db2.gz QUOVGSSXSRTMAK-ZDUSSCGKSA-N 0 3 309.303 3.105 20 10 DGCDHN CCc1cccc(C[NH2+]CC2(C)CCC3(CC2)OCCO3)c1[O-] ZINC000897715400 619175912 /nfs/dbraw/zinc/17/59/12/619175912.db2.gz MPHBABVPQMARCZ-UHFFFAOYSA-N 0 3 319.445 3.368 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CC[C@@H]3OC)c2c1 ZINC000902639207 619660227 /nfs/dbraw/zinc/66/02/27/619660227.db2.gz PAKCXDYGFWQKMD-AEFFLSMTSA-N 0 3 301.386 3.163 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CC[C@@H]3OC)c2c1 ZINC000902639207 619660229 /nfs/dbraw/zinc/66/02/29/619660229.db2.gz PAKCXDYGFWQKMD-AEFFLSMTSA-N 0 3 301.386 3.163 20 10 DGCDHN Cc1cc(O)c(CN2CCOC[C@H]2CC2CCOCC2)cc1C ZINC000902669532 619662814 /nfs/dbraw/zinc/66/28/14/619662814.db2.gz HCYLBQDGDYFZLS-GOSISDBHSA-N 0 3 319.445 3.027 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1ccnn1-c1ccccc1)CC2 ZINC000903168051 619732447 /nfs/dbraw/zinc/73/24/47/619732447.db2.gz CZDAAFZBYIDNCP-SFHVURJKSA-N 0 3 319.408 3.398 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1ccccc1[O-] ZINC000903271145 619749870 /nfs/dbraw/zinc/74/98/70/619749870.db2.gz JLWAOUQDGUZEES-JYJNAYRXSA-N 0 3 306.475 3.013 20 10 DGCDHN Cc1cc(CO)cc(C)c1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000903304011 619754242 /nfs/dbraw/zinc/75/42/42/619754242.db2.gz YFLUNIVHNIDSJA-CYBMUJFWSA-N 0 3 303.377 3.491 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccccc1[O-] ZINC000903308615 619757066 /nfs/dbraw/zinc/75/70/66/619757066.db2.gz JUHOJOPPLFIOBH-SJLPKXTDSA-N 0 3 303.377 3.480 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c(Cl)c1 ZINC000904458080 619923930 /nfs/dbraw/zinc/92/39/30/619923930.db2.gz AVUCBWJGNNBMGX-NVXWUHKLSA-N 0 3 302.805 3.068 20 10 DGCDHN c1cc(CNCc2ccc3c(c2)CCCO3)cc(N2CCCC2)n1 ZINC000921517682 620895893 /nfs/dbraw/zinc/89/58/93/620895893.db2.gz FCMKIFMQBQLGGG-UHFFFAOYSA-N 0 3 323.440 3.297 20 10 DGCDHN O[C@H](CNCc1ccc2c(c1)CCCO2)c1c(F)cccc1F ZINC000921767282 620946624 /nfs/dbraw/zinc/94/66/24/620946624.db2.gz PUPGLNPZLGFSOQ-MRXNPFEDSA-N 0 3 319.351 3.113 20 10 DGCDHN O[C@@H](CNCc1ccc2c(c1)CCCO2)c1c(F)cccc1F ZINC000921767281 620946690 /nfs/dbraw/zinc/94/66/90/620946690.db2.gz PUPGLNPZLGFSOQ-INIZCTEOSA-N 0 3 319.351 3.113 20 10 DGCDHN COc1cc(F)cc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921957772 620973604 /nfs/dbraw/zinc/97/36/04/620973604.db2.gz UMPOZGLOKYYUCU-UHFFFAOYSA-N 0 3 301.361 3.449 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cc(N(C)C)ccn2)cc1 ZINC000922478655 621043810 /nfs/dbraw/zinc/04/38/10/621043810.db2.gz AXDDWUIMLOWQCQ-UHFFFAOYSA-N 0 3 312.461 3.284 20 10 DGCDHN CC1(c2ccccc2)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000857058981 621052517 /nfs/dbraw/zinc/05/25/17/621052517.db2.gz XDAMAZLTROARLX-UHFFFAOYSA-N 0 3 322.452 3.297 20 10 DGCDHN Cc1cc(O)c(CNCc2cc(C(F)(F)F)nn2C)cc1C ZINC000922717128 621088918 /nfs/dbraw/zinc/08/89/18/621088918.db2.gz UVICXRYXARFFMS-UHFFFAOYSA-N 0 3 313.323 3.051 20 10 DGCDHN COc1cc(CNCc2cncc(O)c2)c(O)c(C(C)(C)C)c1 ZINC000922976307 621141141 /nfs/dbraw/zinc/14/11/41/621141141.db2.gz UXIIBKIWTARRQN-UHFFFAOYSA-N 0 3 316.401 3.089 20 10 DGCDHN CCOc1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c([O-])c1 ZINC000922970002 621142008 /nfs/dbraw/zinc/14/20/08/621142008.db2.gz YXIAIUNNWDUMAH-HNNXBMFYSA-N 0 3 305.418 3.372 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2COc3cccc(C)c3C2)c([O-])c1 ZINC000858215176 621165526 /nfs/dbraw/zinc/16/55/26/621165526.db2.gz BBPNEGPQKJDFGP-HNNXBMFYSA-N 0 3 313.397 3.193 20 10 DGCDHN CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000858496596 621197962 /nfs/dbraw/zinc/19/79/62/621197962.db2.gz ABLKGOKKRQKMEL-QGZVFWFLSA-N 0 3 310.397 3.152 20 10 DGCDHN CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000858496976 621198041 /nfs/dbraw/zinc/19/80/41/621198041.db2.gz WUKNIEKEIQYMMB-GFCCVEGCSA-N 0 3 316.376 3.365 20 10 DGCDHN COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000840808812 621208696 /nfs/dbraw/zinc/20/86/96/621208696.db2.gz MRILIEHZFBJMII-GOEBONIOSA-N 0 3 315.413 3.136 20 10 DGCDHN Cc1noc(C2CN(Cc3cc(-c4ccccc4)ccc3O)C2)n1 ZINC000839130717 621338212 /nfs/dbraw/zinc/33/82/12/621338212.db2.gz FZOOTJRMISCOOG-UHFFFAOYSA-N 0 3 321.380 3.350 20 10 DGCDHN Cc1noc(C2C[NH+](Cc3cc(-c4ccccc4)ccc3[O-])C2)n1 ZINC000839130717 621338215 /nfs/dbraw/zinc/33/82/15/621338215.db2.gz FZOOTJRMISCOOG-UHFFFAOYSA-N 0 3 321.380 3.350 20 10 DGCDHN C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000754119902 621489385 /nfs/dbraw/zinc/48/93/85/621489385.db2.gz FAJUYNPOXRDSOP-XJKCOSOUSA-N 0 3 308.853 3.256 20 10 DGCDHN C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000754119898 621489438 /nfs/dbraw/zinc/48/94/38/621489438.db2.gz FAJUYNPOXRDSOP-IOASZLSFSA-N 0 3 308.853 3.256 20 10 DGCDHN CO[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000862540838 621599015 /nfs/dbraw/zinc/59/90/15/621599015.db2.gz KWMNJAPNUXEXEF-SAABIXHNSA-N 0 3 313.397 3.238 20 10 DGCDHN COc1ncccc1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756394782 621635183 /nfs/dbraw/zinc/63/51/83/621635183.db2.gz YEUODJXHRMOPIF-ZWNOBZJWSA-N 0 3 302.349 3.273 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCCCn2ccnc2)c2c1c(F)ccc2[O-] ZINC000756458241 621639432 /nfs/dbraw/zinc/63/94/32/621639432.db2.gz KQTADRPKFDZNAU-JSGCOSHPSA-N 0 3 303.381 3.346 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000756461085 621640126 /nfs/dbraw/zinc/64/01/26/621640126.db2.gz VBKBWIPSKXSEFO-UPESVBDASA-N 0 3 313.372 3.328 20 10 DGCDHN C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000756561608 621649345 /nfs/dbraw/zinc/64/93/45/621649345.db2.gz FQOAMSYGNNAMGC-YJYMSZOUSA-N 0 3 315.388 3.406 20 10 DGCDHN Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756586717 621651394 /nfs/dbraw/zinc/65/13/94/621651394.db2.gz TXTYRWOYOQLUEI-BONVTDFDSA-N 0 3 301.365 3.358 20 10 DGCDHN Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)o1 ZINC000756603426 621652122 /nfs/dbraw/zinc/65/21/22/621652122.db2.gz BPDNXAOWSRYLME-DUFXMDAXSA-N 0 3 305.349 3.304 20 10 DGCDHN CC(C)[NH+](CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756626745 621653716 /nfs/dbraw/zinc/65/37/16/621653716.db2.gz CDZKDXPXGGRAPD-AWEZNQCLSA-N 0 3 323.437 3.460 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756640101 621655057 /nfs/dbraw/zinc/65/50/57/621655057.db2.gz IRUPUQUBAOJXII-BLTAXRJOSA-N 0 3 304.409 3.294 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756653820 621656086 /nfs/dbraw/zinc/65/60/86/621656086.db2.gz HDTJTWQPBFDWFW-DFBGVHRSSA-N 0 3 301.361 3.403 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c([O-])c1 ZINC000756708632 621659725 /nfs/dbraw/zinc/65/97/25/621659725.db2.gz TVKJYOURVUNSLW-AWEZNQCLSA-N 0 3 320.433 3.361 20 10 DGCDHN COc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(C)cc1O ZINC000756711045 621659866 /nfs/dbraw/zinc/65/98/66/621659866.db2.gz HRDVXVAEHVTGLC-XJKSGUPXSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(C)c(C)c1O ZINC000756710670 621659908 /nfs/dbraw/zinc/65/99/08/621659908.db2.gz DWZKPKUKVSZVLT-YOEHRIQHSA-N 0 3 315.413 3.402 20 10 DGCDHN COc1ccc(CN[C@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000756757528 621662347 /nfs/dbraw/zinc/66/23/47/621662347.db2.gz OMACARDKHXFAIS-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN COc1ccc(N2CCN(CCCOC(C)(C)C)CC2)cc1 ZINC000756779628 621664266 /nfs/dbraw/zinc/66/42/66/621664266.db2.gz ZZNYVIVILPXBOK-UHFFFAOYSA-N 0 3 306.450 3.022 20 10 DGCDHN C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000839562908 621697363 /nfs/dbraw/zinc/69/73/63/621697363.db2.gz FMIAGCKEWGVREQ-KUHUBIRLSA-N 0 3 323.440 3.357 20 10 DGCDHN CCOc1ccc(O)c(CN(C)Cc2ccc3c(c2)OCO3)c1 ZINC000120067393 621769251 /nfs/dbraw/zinc/76/92/51/621769251.db2.gz CEPLJTMZHSMKFB-UHFFFAOYSA-N 0 3 315.369 3.152 20 10 DGCDHN CCOc1cc(F)cc(CNCc2ccc3c(c2)CCO3)c1 ZINC000865440512 621921408 /nfs/dbraw/zinc/92/14/08/621921408.db2.gz INFRYHPTUKVXKI-UHFFFAOYSA-N 0 3 301.361 3.449 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccnn1CC1CCC1 ZINC000865466439 621927542 /nfs/dbraw/zinc/92/75/42/621927542.db2.gz WFRPPKHGFCWHJP-UHFFFAOYSA-N 0 3 312.461 3.347 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2cccc3c2CCOC3)c([O-])c1 ZINC000865726293 621984560 /nfs/dbraw/zinc/98/45/60/621984560.db2.gz WITMKXNKIVJMQM-UHFFFAOYSA-N 0 3 313.397 3.153 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1[O-] ZINC000761203198 621993859 /nfs/dbraw/zinc/99/38/59/621993859.db2.gz KWYNMPPILHLFIQ-BXUZGUMPSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1[O-] ZINC000761203198 621993861 /nfs/dbraw/zinc/99/38/61/621993861.db2.gz KWYNMPPILHLFIQ-BXUZGUMPSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c1[O-] ZINC000761206554 621994344 /nfs/dbraw/zinc/99/43/44/621994344.db2.gz KWCNJZHLKWFZFC-XJKSGUPXSA-N 0 3 313.825 3.347 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c([O-])c1 ZINC000789593771 625531984 /nfs/dbraw/zinc/53/19/84/625531984.db2.gz VTVDUVXZFDVKIS-SFHVURJKSA-N 0 3 307.434 3.164 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c([O-])c1 ZINC000789593771 625531988 /nfs/dbraw/zinc/53/19/88/625531988.db2.gz VTVDUVXZFDVKIS-SFHVURJKSA-N 0 3 307.434 3.164 20 10 DGCDHN Cc1ccc(C)c(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000762051044 622048698 /nfs/dbraw/zinc/04/86/98/622048698.db2.gz PNZJVOGCHKOPRX-GOSISDBHSA-N 0 3 313.397 3.067 20 10 DGCDHN Cc1ccc(C)c(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000762051044 622048703 /nfs/dbraw/zinc/04/87/03/622048703.db2.gz PNZJVOGCHKOPRX-GOSISDBHSA-N 0 3 313.397 3.067 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1cc(F)ccc1[O-] ZINC000866563051 622138878 /nfs/dbraw/zinc/13/88/78/622138878.db2.gz JGJCBJSPIVCLTA-SJCJKPOMSA-N 0 3 300.377 3.369 20 10 DGCDHN CC[C@H]1CN(Cc2cc(C)cc(C)c2O)CCN1CC(F)F ZINC000765719741 622283925 /nfs/dbraw/zinc/28/39/25/622283925.db2.gz YXPPCSAGYJCIKR-HNNXBMFYSA-N 0 3 312.404 3.170 20 10 DGCDHN CC[C@H](NCc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)(F)F ZINC000765786729 622287261 /nfs/dbraw/zinc/28/72/61/622287261.db2.gz IDPKFSURMDOLFS-LSDHHAIUSA-N 0 3 318.383 3.324 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000789756453 625562365 /nfs/dbraw/zinc/56/23/65/625562365.db2.gz DTVVLIQFXZKBFC-UHFFFAOYSA-N 0 3 309.837 3.386 20 10 DGCDHN c1ccc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000768356354 622452190 /nfs/dbraw/zinc/45/21/90/622452190.db2.gz XGKOJHMTZZZZQB-FQEVSTJZSA-N 0 3 323.440 3.255 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]2CCCC[C@@H]12 ZINC000768439152 622456216 /nfs/dbraw/zinc/45/62/16/622456216.db2.gz ILEWYCVLSXVEGR-YUFPNPJJSA-N 0 3 317.429 3.219 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]2CCCC[C@@H]12 ZINC000768439152 622456217 /nfs/dbraw/zinc/45/62/17/622456217.db2.gz ILEWYCVLSXVEGR-YUFPNPJJSA-N 0 3 317.429 3.219 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC=CCC3)C1)[C@H](O)CO2 ZINC000768445670 622457060 /nfs/dbraw/zinc/45/70/60/622457060.db2.gz GKKVGTDVYQQPGM-MJGOQNOKSA-N 0 3 315.413 3.140 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CC=CCC3)C1)[C@H](O)CO2 ZINC000768445670 622457062 /nfs/dbraw/zinc/45/70/62/622457062.db2.gz GKKVGTDVYQQPGM-MJGOQNOKSA-N 0 3 315.413 3.140 20 10 DGCDHN COc1cc(O)c(CN2CCc3c(C)cccc3C2)cc1OC ZINC000768449177 622457088 /nfs/dbraw/zinc/45/70/88/622457088.db2.gz FCWVGHXQWIIXQY-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN CC(C)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768463353 622457983 /nfs/dbraw/zinc/45/79/83/622457983.db2.gz HJJUMHVQEPPADC-SUMWQHHRSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768463353 622457985 /nfs/dbraw/zinc/45/79/85/622457985.db2.gz HJJUMHVQEPPADC-SUMWQHHRSA-N 0 3 305.418 3.076 20 10 DGCDHN CCCCC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462141 622458224 /nfs/dbraw/zinc/45/82/24/622458224.db2.gz JXWSSEGVQGHWAD-PBHICJAKSA-N 0 3 305.418 3.363 20 10 DGCDHN CCCCC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462141 622458225 /nfs/dbraw/zinc/45/82/25/622458225.db2.gz JXWSSEGVQGHWAD-PBHICJAKSA-N 0 3 305.418 3.363 20 10 DGCDHN CCC[C@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768466508 622458696 /nfs/dbraw/zinc/45/86/96/622458696.db2.gz QWYRYNFBRUWEIA-SJLPKXTDSA-N 0 3 305.418 3.220 20 10 DGCDHN CCC[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768466508 622458697 /nfs/dbraw/zinc/45/86/97/622458697.db2.gz QWYRYNFBRUWEIA-SJLPKXTDSA-N 0 3 305.418 3.220 20 10 DGCDHN CCOc1ccc(CN2CCC[C@@H]2c2cc(C)no2)c(O)c1 ZINC000768878276 622482819 /nfs/dbraw/zinc/48/28/19/622482819.db2.gz LCZVSQPIAUNZNO-OAHLLOKOSA-N 0 3 302.374 3.424 20 10 DGCDHN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1 ZINC000768892825 622483671 /nfs/dbraw/zinc/48/36/71/622483671.db2.gz MKKSHSFEYQEZKF-HNNXBMFYSA-N 0 3 316.420 3.275 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000769290818 622514330 /nfs/dbraw/zinc/51/43/30/622514330.db2.gz JRSMPSZQIMYAMA-HUUCEWRRSA-N 0 3 304.434 3.004 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2=O)c2c1c(F)ccc2[O-] ZINC000872113213 622814981 /nfs/dbraw/zinc/81/49/81/622814981.db2.gz NNTFIDJNPVIRCA-MDZLAQPJSA-N 0 3 307.365 3.013 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CCC3)CC1)[C@H](O)CO2 ZINC000872701367 622956131 /nfs/dbraw/zinc/95/61/31/622956131.db2.gz WBJHNASPRZKZRX-RDTXWAMCSA-N 0 3 317.429 3.220 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CCC3)CC1)[C@H](O)CO2 ZINC000872701367 622956134 /nfs/dbraw/zinc/95/61/34/622956134.db2.gz WBJHNASPRZKZRX-RDTXWAMCSA-N 0 3 317.429 3.220 20 10 DGCDHN COc1cc(Br)cc(CN2CCC[C@@H]2C)c1O ZINC000124299722 622995039 /nfs/dbraw/zinc/99/50/39/622995039.db2.gz RHSCEOBIXVAUAN-VIFPVBQESA-N 0 3 300.196 3.148 20 10 DGCDHN CCCCn1cc(CNCc2ccc(N(C)C)cc2)c(C)n1 ZINC000773408631 623023464 /nfs/dbraw/zinc/02/34/64/623023464.db2.gz IGMCWYVYSRLKTI-UHFFFAOYSA-N 0 3 300.450 3.347 20 10 DGCDHN CCCCn1cc(CNCc2cccc(OCC)c2O)c(C)n1 ZINC000773411262 623024299 /nfs/dbraw/zinc/02/42/99/623024299.db2.gz XOHGXOBCNORMQT-UHFFFAOYSA-N 0 3 317.433 3.386 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1 ZINC000774486738 623151779 /nfs/dbraw/zinc/15/17/79/623151779.db2.gz XMDRHKHZNRUSFV-JKSUJKDBSA-N 0 3 317.477 3.194 20 10 DGCDHN Cc1ccncc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775253969 623246420 /nfs/dbraw/zinc/24/64/20/623246420.db2.gz DPLSAYWPPZVKNX-MRXNPFEDSA-N 0 3 311.429 3.077 20 10 DGCDHN Cc1cccc(CN2CCN(Cc3ccsc3)CC2)c1O ZINC000775647433 623303949 /nfs/dbraw/zinc/30/39/49/623303949.db2.gz VKVYIISPURNSAT-UHFFFAOYSA-N 0 3 302.443 3.080 20 10 DGCDHN C[C@@H](NCC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775832760 623338764 /nfs/dbraw/zinc/33/87/64/623338764.db2.gz BNBRELNJYVTYQM-CYBMUJFWSA-N 0 3 315.392 3.181 20 10 DGCDHN Cc1ccccc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775829935 623338780 /nfs/dbraw/zinc/33/87/80/623338780.db2.gz BATQXJIUBQCUJO-OAHLLOKOSA-N 0 3 311.429 3.350 20 10 DGCDHN CC[C@@H]1CCCCN1C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834184 623339248 /nfs/dbraw/zinc/33/92/48/623339248.db2.gz LFXOAGOETXMLMT-NVXWUHKLSA-N 0 3 317.477 3.194 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1[O-] ZINC000776177473 623391277 /nfs/dbraw/zinc/39/12/77/623391277.db2.gz PEMKMSDWRUIDTJ-HNNXBMFYSA-N 0 3 324.852 3.091 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCSC2)c1[O-] ZINC000776231033 623400311 /nfs/dbraw/zinc/40/03/11/623400311.db2.gz FOTUDCPHLGFBQQ-LBPRGKRZSA-N 0 3 316.264 3.448 20 10 DGCDHN Cc1ccc(CN(Cc2ccco2)C[C@H]2CCCO2)c(O)c1 ZINC000876635598 623666091 /nfs/dbraw/zinc/66/60/91/623666091.db2.gz ZFTXPPGEPYGWKM-QGZVFWFLSA-N 0 3 301.386 3.475 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000876652449 623670415 /nfs/dbraw/zinc/67/04/15/623670415.db2.gz CUIJUKHCCCGFJX-AWEZNQCLSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000876652449 623670417 /nfs/dbraw/zinc/67/04/17/623670417.db2.gz CUIJUKHCCCGFJX-AWEZNQCLSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000876807469 623710738 /nfs/dbraw/zinc/71/07/38/623710738.db2.gz FASODUOLSUIYHP-RHSMWYFYSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000876807469 623710743 /nfs/dbraw/zinc/71/07/43/623710743.db2.gz FASODUOLSUIYHP-RHSMWYFYSA-N 0 3 301.386 3.382 20 10 DGCDHN C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000778991589 623717068 /nfs/dbraw/zinc/71/70/68/623717068.db2.gz AQNPFXNPPHPUKK-SOLBZPMBSA-N 0 3 319.445 3.188 20 10 DGCDHN C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000778991589 623717069 /nfs/dbraw/zinc/71/70/69/623717069.db2.gz AQNPFXNPPHPUKK-SOLBZPMBSA-N 0 3 319.445 3.188 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(C)(C)O)c1[O-] ZINC000779041647 623723569 /nfs/dbraw/zinc/72/35/69/623723569.db2.gz WRWPPQMPAGQTME-VHSXEESVSA-N 0 3 316.239 3.273 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])CC(C)(C)CNC(=O)OC(C)(C)C ZINC000779032877 623723832 /nfs/dbraw/zinc/72/38/32/623723832.db2.gz LNUBJGLUSFLSNW-UHFFFAOYSA-N 0 3 322.449 3.375 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])CC(C)(C)CNC(=O)OC(C)(C)C ZINC000779032877 623723835 /nfs/dbraw/zinc/72/38/35/623723835.db2.gz LNUBJGLUSFLSNW-UHFFFAOYSA-N 0 3 322.449 3.375 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000876949503 623752374 /nfs/dbraw/zinc/75/23/74/623752374.db2.gz SDWHLPHLJZCPSW-KRWDZBQOSA-N 0 3 302.393 3.232 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000877131358 623799464 /nfs/dbraw/zinc/79/94/64/623799464.db2.gz YKAJIXZEQDZFMH-SCLBCKFNSA-N 0 3 303.377 3.442 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000877308077 623848155 /nfs/dbraw/zinc/84/81/55/623848155.db2.gz OPGVKZKRSJXDHP-UHFFFAOYSA-N 0 3 320.433 3.238 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000877374860 623861465 /nfs/dbraw/zinc/86/14/65/623861465.db2.gz PRSUDVDJKCGNCR-QGZVFWFLSA-N 0 3 305.805 3.351 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000877458977 623891387 /nfs/dbraw/zinc/89/13/87/623891387.db2.gz DHRXFDMUEILYNS-UKRRQHHQSA-N 0 3 317.351 3.274 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000877476485 623900807 /nfs/dbraw/zinc/90/08/07/623900807.db2.gz FZIXITUIGSEABM-PKOBYXMFSA-N 0 3 315.388 3.096 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000877533988 623929060 /nfs/dbraw/zinc/92/90/60/623929060.db2.gz YVHRSYUZPMTMBT-AWEZNQCLSA-N 0 3 305.805 3.220 20 10 DGCDHN C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC000877538913 623932615 /nfs/dbraw/zinc/93/26/15/623932615.db2.gz HTUCXPJMNVPVCH-CQSZACIVSA-N 0 3 324.415 3.125 20 10 DGCDHN Cc1ccc(CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(O)c1 ZINC000877589770 623953532 /nfs/dbraw/zinc/95/35/32/623953532.db2.gz RDIIBTHFQUWWSO-HXUWFJFHSA-N 0 3 323.392 3.311 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877608081 623960361 /nfs/dbraw/zinc/96/03/61/623960361.db2.gz LZLPFNHAKDSTDX-DZGCQCFKSA-N 0 3 305.418 3.301 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780788957 623985687 /nfs/dbraw/zinc/98/56/87/623985687.db2.gz FJOBXHSJHFCDIP-CQSZACIVSA-N 0 3 301.361 3.432 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780788957 623985691 /nfs/dbraw/zinc/98/56/91/623985691.db2.gz FJOBXHSJHFCDIP-CQSZACIVSA-N 0 3 301.361 3.432 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000877674952 623987920 /nfs/dbraw/zinc/98/79/20/623987920.db2.gz UBVNGZYBNIJWIK-UHFFFAOYSA-N 0 3 318.442 3.312 20 10 DGCDHN CC(=O)Nc1cccc2c1CN(Cc1cc(C)ccc1O)CC2 ZINC000877681963 623990268 /nfs/dbraw/zinc/99/02/68/623990268.db2.gz UMLYSHJQQKTBOA-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[O-])[nH]c1C ZINC000877758194 624023986 /nfs/dbraw/zinc/02/39/86/624023986.db2.gz MEGSCCBIAZUHMF-NSHDSACASA-N 0 3 302.374 3.056 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H](O)C2CCCC2)c1[O-] ZINC000877777430 624032432 /nfs/dbraw/zinc/03/24/32/624032432.db2.gz AKZVFRYJASVXJA-AWEZNQCLSA-N 0 3 313.825 3.085 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC4(CCC4)C3)c2c1 ZINC000129638053 625708977 /nfs/dbraw/zinc/70/89/77/625708977.db2.gz QCULHCOFKHNFHL-UHFFFAOYSA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC4(CCC4)C3)c2c1 ZINC000129638053 625708984 /nfs/dbraw/zinc/70/89/84/625708984.db2.gz QCULHCOFKHNFHL-UHFFFAOYSA-N 0 3 313.397 3.309 20 10 DGCDHN Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])sc1C ZINC000879648454 624620956 /nfs/dbraw/zinc/62/09/56/624620956.db2.gz PXCNXJZHDWYRFN-GHMZBOCLSA-N 0 3 319.430 3.143 20 10 DGCDHN COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648600 624621000 /nfs/dbraw/zinc/62/10/00/624621000.db2.gz VRJUHOXNCRRVID-CHWSQXEVSA-N 0 3 314.385 3.079 20 10 DGCDHN Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])sc1C ZINC000879648455 624621052 /nfs/dbraw/zinc/62/10/52/624621052.db2.gz PXCNXJZHDWYRFN-MNOVXSKESA-N 0 3 319.430 3.143 20 10 DGCDHN Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648899 624622840 /nfs/dbraw/zinc/62/28/40/624622840.db2.gz FVSABJYJMPTMMX-HZPDHXFCSA-N 0 3 315.413 3.100 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N(C)C1CCCCC1 ZINC000879648778 624623019 /nfs/dbraw/zinc/62/30/19/624623019.db2.gz DGYJYGCCIPXEHB-ZIAGYGMSSA-N 0 3 304.434 3.222 20 10 DGCDHN Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649750 624623025 /nfs/dbraw/zinc/62/30/25/624623025.db2.gz UCFNYDQDEGDIJY-CABCVRRESA-N 0 3 312.413 3.056 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC000879649163 624623194 /nfs/dbraw/zinc/62/31/94/624623194.db2.gz KBBIKOKXJJCUHR-CVEARBPZSA-N 0 3 324.424 3.205 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCCc2ccccc21 ZINC000879652007 624624600 /nfs/dbraw/zinc/62/46/00/624624600.db2.gz SWXCBDMROIEUPZ-GJZGRUSLSA-N 0 3 324.424 3.411 20 10 DGCDHN COc1cccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879650737 624624714 /nfs/dbraw/zinc/62/47/14/624624714.db2.gz QMCIKJTZNCMNLF-ZDUSSCGKSA-N 0 3 314.385 3.080 20 10 DGCDHN C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1[O-] ZINC000879651978 624624729 /nfs/dbraw/zinc/62/47/29/624624729.db2.gz RPNFNBARLZOHRF-ZDUSSCGKSA-N 0 3 310.397 3.170 20 10 DGCDHN C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccccc1[O-] ZINC000879653493 624626766 /nfs/dbraw/zinc/62/67/66/624626766.db2.gz QHSUAEWJWZWPLB-AWEZNQCLSA-N 0 3 304.434 3.272 20 10 DGCDHN CCCN(CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000130725658 625896749 /nfs/dbraw/zinc/89/67/49/625896749.db2.gz LDRPNJLETIEFIB-UHFFFAOYSA-N 0 3 304.434 3.007 20 10 DGCDHN CC(C)C[N@@H+]1CCC[C@H](CNCc2cc(F)cc(F)c2[O-])C1 ZINC000883073513 625917346 /nfs/dbraw/zinc/91/73/46/625917346.db2.gz SAGIVFQELOCCJN-CYBMUJFWSA-N 0 3 312.404 3.128 20 10 DGCDHN CC(C)C[N@H+]1CCC[C@H](CNCc2cc(F)cc(F)c2[O-])C1 ZINC000883073513 625917351 /nfs/dbraw/zinc/91/73/51/625917351.db2.gz SAGIVFQELOCCJN-CYBMUJFWSA-N 0 3 312.404 3.128 20 10 DGCDHN CCOc1ccc(C[NH2+]CC2(c3ccccn3)CCC2)c([O-])c1 ZINC000796515455 626058097 /nfs/dbraw/zinc/05/80/97/626058097.db2.gz VSGPJGIMDHSEIP-UHFFFAOYSA-N 0 3 312.413 3.397 20 10 DGCDHN CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000797020637 626104974 /nfs/dbraw/zinc/10/49/74/626104974.db2.gz WMFNZMQCOSMQSU-XIKOKIGWSA-N 0 3 303.377 3.478 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccccc1[O-] ZINC000797132152 626116951 /nfs/dbraw/zinc/11/69/51/626116951.db2.gz KQPPVOSFQDDIGI-LRTDBIEQSA-N 0 3 303.427 3.122 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN(C)CCC[NH+]2CCCC2)c1[O-] ZINC000799174145 626277358 /nfs/dbraw/zinc/27/73/58/626277358.db2.gz CIXLMWJHYHRXME-UHFFFAOYSA-N 0 3 324.852 3.166 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c([O-])c1 ZINC000800294073 626349283 /nfs/dbraw/zinc/34/92/83/626349283.db2.gz VRSSYYJXVBRNNS-QGZVFWFLSA-N 0 3 305.418 3.230 20 10 DGCDHN O=c1ccccn1C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000800313233 626350932 /nfs/dbraw/zinc/35/09/32/626350932.db2.gz IYNJFINSBGZLPB-GOSISDBHSA-N 0 3 320.392 3.085 20 10 DGCDHN O=c1ccccn1C[C@@H](NCc1ccccc1O)c1ccccc1 ZINC000800313233 626350934 /nfs/dbraw/zinc/35/09/34/626350934.db2.gz IYNJFINSBGZLPB-GOSISDBHSA-N 0 3 320.392 3.085 20 10 DGCDHN CCCC[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1[O-] ZINC000802657441 626565188 /nfs/dbraw/zinc/56/51/88/626565188.db2.gz DROATWVKTYSCJL-UHFFFAOYSA-N 0 3 316.401 3.309 20 10 DGCDHN CCCC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1[O-] ZINC000802657441 626565191 /nfs/dbraw/zinc/56/51/91/626565191.db2.gz DROATWVKTYSCJL-UHFFFAOYSA-N 0 3 316.401 3.309 20 10 DGCDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([O-])cs1)[NH+](C)C ZINC000807491712 626758696 /nfs/dbraw/zinc/75/86/96/626758696.db2.gz ADSRFQUZTUABJE-MLGOLLRUSA-N 0 3 318.442 3.183 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC[C@H]2CCOC2)c1[O-] ZINC000808695535 626850365 /nfs/dbraw/zinc/85/03/65/626850365.db2.gz OANOFMCZKVWLBA-STQMWFEESA-N 0 3 313.825 3.058 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c1[O-] ZINC000808703784 626851046 /nfs/dbraw/zinc/85/10/46/626851046.db2.gz WFVHLNLOEZTETC-STQMWFEESA-N 0 3 323.820 3.449 20 10 DGCDHN COC1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000808708388 626851559 /nfs/dbraw/zinc/85/15/59/626851559.db2.gz LPFNKOJORLKNQZ-LBPRGKRZSA-N 0 3 313.825 3.200 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)c1[O-] ZINC000808706833 626851825 /nfs/dbraw/zinc/85/18/25/626851825.db2.gz VYUVASWAIVIZHU-FDMGOTLNSA-N 0 3 303.855 3.162 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)NCc2ccnc(N(C)C)n2)c1O ZINC000808710416 626852314 /nfs/dbraw/zinc/85/23/14/626852314.db2.gz PVJAFYIFIFZMPU-LLVKDONJSA-N 0 3 320.824 3.061 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNC(=O)C(C)C)c1[O-] ZINC000808709811 626852359 /nfs/dbraw/zinc/85/23/59/626852359.db2.gz ZPZFPULYGAQLLX-LBPRGKRZSA-N 0 3 312.841 3.167 20 10 DGCDHN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809692996 626937569 /nfs/dbraw/zinc/93/75/69/626937569.db2.gz LGRUPPGBFXMKGF-BETUJISGSA-N 0 3 314.223 3.072 20 10 DGCDHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809692996 626937572 /nfs/dbraw/zinc/93/75/72/626937572.db2.gz LGRUPPGBFXMKGF-BETUJISGSA-N 0 3 314.223 3.072 20 10 DGCDHN COc1cccc(C[N@H+](CCN(C)C)CC2CCCCC2)c1[O-] ZINC000809736691 626943667 /nfs/dbraw/zinc/94/36/67/626943667.db2.gz GBORHXANGKHYKE-UHFFFAOYSA-N 0 3 320.477 3.345 20 10 DGCDHN COc1cccc(C[N@@H+](CCN(C)C)CC2CCCCC2)c1[O-] ZINC000809736691 626943669 /nfs/dbraw/zinc/94/36/69/626943669.db2.gz GBORHXANGKHYKE-UHFFFAOYSA-N 0 3 320.477 3.345 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809767273 626949335 /nfs/dbraw/zinc/94/93/35/626949335.db2.gz IGEDZAPEOSWXKV-INIZCTEOSA-N 0 3 307.397 3.407 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809767273 626949336 /nfs/dbraw/zinc/94/93/36/626949336.db2.gz IGEDZAPEOSWXKV-INIZCTEOSA-N 0 3 307.397 3.407 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000809779512 626951594 /nfs/dbraw/zinc/95/15/94/626951594.db2.gz PQOUNQZORCDWTI-CYBMUJFWSA-N 0 3 309.768 3.050 20 10 DGCDHN Cc1nnc(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)s1 ZINC000810243368 626991811 /nfs/dbraw/zinc/99/18/11/626991811.db2.gz NQQPUMQTCQXDJR-KCJUWKMLSA-N 0 3 307.394 3.072 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1[O-] ZINC000810254766 626993151 /nfs/dbraw/zinc/99/31/51/626993151.db2.gz RATAAMQJJXUWJW-WCQYABFASA-N 0 3 305.809 3.367 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Cl)ccc1[O-] ZINC000810254766 626993155 /nfs/dbraw/zinc/99/31/55/626993155.db2.gz RATAAMQJJXUWJW-WCQYABFASA-N 0 3 305.809 3.367 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1C[C@@]12CCOC2 ZINC000886064743 627097532 /nfs/dbraw/zinc/09/75/32/627097532.db2.gz HPNJGSGKZZPCKE-QFBILLFUSA-N 0 3 313.397 3.414 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1C[C@@]12CCOC2 ZINC000886064743 627097534 /nfs/dbraw/zinc/09/75/34/627097534.db2.gz HPNJGSGKZZPCKE-QFBILLFUSA-N 0 3 313.397 3.414 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1)c1ccc(C)cc1[O-] ZINC000886766890 627202190 /nfs/dbraw/zinc/20/21/90/627202190.db2.gz UEIAXASVZSZDGY-RIVXBTQJSA-N 0 3 319.445 3.468 20 10 DGCDHN CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000811511229 627284737 /nfs/dbraw/zinc/28/47/37/627284737.db2.gz FXNUPEGWJPTBGH-GFCCVEGCSA-N 0 3 314.857 3.264 20 10 DGCDHN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@@H](C)OC ZINC000812303311 627369265 /nfs/dbraw/zinc/36/92/65/627369265.db2.gz OKPCTQYYKOTSTF-CYBMUJFWSA-N 0 3 303.402 3.411 20 10 DGCDHN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@@H](C)OC ZINC000812303311 627369270 /nfs/dbraw/zinc/36/92/70/627369270.db2.gz OKPCTQYYKOTSTF-CYBMUJFWSA-N 0 3 303.402 3.411 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cnn(C(C)(C)C)c2)c1 ZINC000813330616 627478256 /nfs/dbraw/zinc/47/82/56/627478256.db2.gz BDIIIEGQPXTCLS-GFCCVEGCSA-N 0 3 303.406 3.203 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc(N(C)C)c(C)c2)cc1O ZINC000815060511 627621494 /nfs/dbraw/zinc/62/14/94/627621494.db2.gz VEALFLWFKQDFSK-UHFFFAOYSA-N 0 3 314.429 3.407 20 10 DGCDHN Cc1cc(CN(C)[C@H]2CCCc3c2cnn3C)ccc1N(C)C ZINC000815074245 627623065 /nfs/dbraw/zinc/62/30/65/627623065.db2.gz NEQMWYOBLKLCNY-SFHVURJKSA-N 0 3 312.461 3.304 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815627812 627693028 /nfs/dbraw/zinc/69/30/28/627693028.db2.gz KEFQACVOZNQIIL-WDEREUQCSA-N 0 3 304.356 3.259 20 10 DGCDHN COc1ccnc([C@@H](C)NCCCSc2nccs2)c1 ZINC000925104415 627708675 /nfs/dbraw/zinc/70/86/75/627708675.db2.gz ZAPPGSCKHLBYBL-LLVKDONJSA-N 0 3 309.460 3.380 20 10 DGCDHN CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816554811 627806725 /nfs/dbraw/zinc/80/67/25/627806725.db2.gz JRVSQAMWKUHYON-NEPJUHHUSA-N 0 3 300.805 3.147 20 10 DGCDHN CCN(CCC[NH+]1CCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610871 627814669 /nfs/dbraw/zinc/81/46/69/627814669.db2.gz BJFJGWJFTIDJAK-UHFFFAOYSA-N 0 3 314.832 3.493 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@H](O)CC2)c(C(F)(F)F)c1 ZINC000816667628 627823613 /nfs/dbraw/zinc/82/36/13/627823613.db2.gz RWFKVYYEUDQBAY-AWEZNQCLSA-N 0 3 316.367 3.118 20 10 DGCDHN CCCN(CCC)c1ccc(CN2CC[C@@H](NC(C)=O)C2)cc1 ZINC000817413103 627895832 /nfs/dbraw/zinc/89/58/32/627895832.db2.gz UBLBPXSPHPXGCO-GOSISDBHSA-N 0 3 317.477 3.023 20 10 DGCDHN CC[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817953814 627973351 /nfs/dbraw/zinc/97/33/51/627973351.db2.gz RSMBPXVOTJZVLA-YPMHNXCESA-N 0 3 302.340 3.204 20 10 DGCDHN CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000817957556 627974655 /nfs/dbraw/zinc/97/46/55/627974655.db2.gz CVYPMLZFZYGNAD-JQWIXIFHSA-N 0 3 315.255 3.179 20 10 DGCDHN CCCC[C@H](CN)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000817961679 627976032 /nfs/dbraw/zinc/97/60/32/627976032.db2.gz CGVNXSPYRLWYEF-CMPLNLGQSA-N 0 3 315.255 3.323 20 10 DGCDHN C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1ccc(F)cc1[O-] ZINC000817983364 627983393 /nfs/dbraw/zinc/98/33/93/627983393.db2.gz ATJQBKSFJTVFNL-SYTRPRECSA-N 0 3 318.436 3.336 20 10 DGCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)n1 ZINC000927046351 628002135 /nfs/dbraw/zinc/00/21/35/628002135.db2.gz BJYKZSYCEGCEQA-DMDPSCGWSA-N 0 3 319.380 3.464 20 10 DGCDHN COc1ccc(N2CC[C@H](C[NH2+]Cc3ccccc3[O-])C2)cc1 ZINC000818220850 628006493 /nfs/dbraw/zinc/00/64/93/628006493.db2.gz NAXCCVHGEOASAD-OAHLLOKOSA-N 0 3 312.413 3.017 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)nn2C)c2c1c(F)ccc2[O-] ZINC000927100733 628014184 /nfs/dbraw/zinc/01/41/84/628014184.db2.gz JBLWBGWAHCOYNO-BMIGLBTASA-N 0 3 315.392 3.480 20 10 DGCDHN C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1[O-] ZINC000824593159 628675044 /nfs/dbraw/zinc/67/50/44/628675044.db2.gz LSJWYOSLUGQTPX-SFHVURJKSA-N 0 3 313.397 3.192 20 10 DGCDHN C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1[O-] ZINC000824593159 628675048 /nfs/dbraw/zinc/67/50/48/628675048.db2.gz LSJWYOSLUGQTPX-SFHVURJKSA-N 0 3 313.397 3.192 20 10 DGCDHN CCOCc1cc(CNCc2ccnc(C)c2)ccc1OC ZINC000824595904 628675198 /nfs/dbraw/zinc/67/51/98/628675198.db2.gz BFRIKZFJZWEIEV-UHFFFAOYSA-N 0 3 300.402 3.225 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824696310 628684812 /nfs/dbraw/zinc/68/48/12/628684812.db2.gz KXJURFRMTFENJT-BBWFWOEESA-N 0 3 319.445 3.306 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824696310 628684815 /nfs/dbraw/zinc/68/48/15/628684815.db2.gz KXJURFRMTFENJT-BBWFWOEESA-N 0 3 319.445 3.306 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000824709870 628685866 /nfs/dbraw/zinc/68/58/66/628685866.db2.gz PQEAGIHUXDKTAW-HNNXBMFYSA-N 0 3 308.853 3.414 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@](C)(OC)c2ccccc2)c([O-])c1 ZINC000824780458 628692943 /nfs/dbraw/zinc/69/29/43/628692943.db2.gz PUODJRWSEVQDFF-IBGZPJMESA-N 0 3 315.413 3.442 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824932392 628708911 /nfs/dbraw/zinc/70/89/11/628708911.db2.gz OBWHYMVNWZOAFF-UHFFFAOYSA-N 0 3 320.433 3.271 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824932392 628708913 /nfs/dbraw/zinc/70/89/13/628708913.db2.gz OBWHYMVNWZOAFF-UHFFFAOYSA-N 0 3 320.433 3.271 20 10 DGCDHN Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825089576 628726198 /nfs/dbraw/zinc/72/61/98/628726198.db2.gz FUCBCWYPQMOPOP-NSHDSACASA-N 0 3 307.825 3.285 20 10 DGCDHN CCOc1ccc(CN2CCOCC23CCCCC3)c(O)c1 ZINC000825098139 628727449 /nfs/dbraw/zinc/72/74/49/628727449.db2.gz AZYCQWVNCJQVNX-UHFFFAOYSA-N 0 3 305.418 3.326 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCOCC23CCCCC3)c([O-])c1 ZINC000825098139 628727453 /nfs/dbraw/zinc/72/74/53/628727453.db2.gz AZYCQWVNCJQVNX-UHFFFAOYSA-N 0 3 305.418 3.326 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCOCC23CCCCC3)c([O-])c1 ZINC000825098139 628727459 /nfs/dbraw/zinc/72/74/59/628727459.db2.gz AZYCQWVNCJQVNX-UHFFFAOYSA-N 0 3 305.418 3.326 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124152 628730520 /nfs/dbraw/zinc/73/05/20/628730520.db2.gz IVXCEYURVVDXKL-TVQRCGJNSA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124152 628730523 /nfs/dbraw/zinc/73/05/23/628730523.db2.gz IVXCEYURVVDXKL-TVQRCGJNSA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc(Cl)cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124152 628730525 /nfs/dbraw/zinc/73/05/25/628730525.db2.gz IVXCEYURVVDXKL-TVQRCGJNSA-N 0 3 323.742 3.099 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000825900794 628808945 /nfs/dbraw/zinc/80/89/45/628808945.db2.gz RNZLFCJNTSEYCQ-BBRMVZONSA-N 0 3 308.853 3.413 20 10 DGCDHN CCc1cccc(CN[C@@H](COC)c2cccc(OC)c2)c1O ZINC000827012526 628912620 /nfs/dbraw/zinc/91/26/20/628912620.db2.gz ZVZNJJRRZHANNA-SFHVURJKSA-N 0 3 315.413 3.441 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1[O-] ZINC000827377357 628954523 /nfs/dbraw/zinc/95/45/23/628954523.db2.gz WOOLTCXEBWLCGW-GOEBONIOSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1[O-] ZINC000827377357 628954525 /nfs/dbraw/zinc/95/45/25/628954525.db2.gz WOOLTCXEBWLCGW-GOEBONIOSA-N 0 3 305.418 3.182 20 10 DGCDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1 ZINC000827507012 628965765 /nfs/dbraw/zinc/96/57/65/628965765.db2.gz RBJFPPPUDLILIG-HZPDHXFCSA-N 0 3 315.417 3.427 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCC[C@@H]1CCOC1)C[C@@H]1CCCO1 ZINC000828062134 629019604 /nfs/dbraw/zinc/01/96/04/629019604.db2.gz BYIDBXQDPYGAFE-AEFFLSMTSA-N 0 3 319.445 3.190 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCC[C@@H]1CCOC1)C[C@@H]1CCCO1 ZINC000828062134 629019607 /nfs/dbraw/zinc/01/96/07/629019607.db2.gz BYIDBXQDPYGAFE-AEFFLSMTSA-N 0 3 319.445 3.190 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN2CC[C@@H](OC(C)C)C2)c1O ZINC000828850705 629100339 /nfs/dbraw/zinc/10/03/39/629100339.db2.gz OTKUVBJKIVMHNA-CQSZACIVSA-N 0 3 311.809 3.248 20 10 DGCDHN CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834527091 629720528 /nfs/dbraw/zinc/72/05/28/629720528.db2.gz VEGFWCBHRTYRSW-QZTJIDSGSA-N 0 3 310.441 3.142 20 10 DGCDHN CN(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834527092 629720984 /nfs/dbraw/zinc/72/09/84/629720984.db2.gz VEGFWCBHRTYRSW-ROUUACIJSA-N 0 3 310.441 3.142 20 10 DGCDHN CN(C)C(=O)C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834530075 629721373 /nfs/dbraw/zinc/72/13/73/629721373.db2.gz AUOVEOBHADBAIN-SJORKVTESA-N 0 3 324.424 3.189 20 10 DGCDHN COc1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c(OC)c1 ZINC000834547958 629725078 /nfs/dbraw/zinc/72/50/78/629725078.db2.gz ISRAFYYMLYIMCX-MRXNPFEDSA-N 0 3 313.397 3.229 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H](O)c1cccc(F)c1 ZINC000834676476 629755119 /nfs/dbraw/zinc/75/51/19/629755119.db2.gz UXZFJPWUQALSPV-POHZPAGDSA-N 0 3 301.361 3.230 20 10 DGCDHN CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834698333 629760547 /nfs/dbraw/zinc/76/05/47/629760547.db2.gz YBMTYPXPZVTAGM-AWEZNQCLSA-N 0 3 305.418 3.481 20 10 DGCDHN CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1CCc3cccc([O-])c31)O2 ZINC000834736933 629769996 /nfs/dbraw/zinc/76/99/96/629769996.db2.gz BSJXPDJKGZDKBZ-QHZMEWJKSA-N 0 3 317.429 3.291 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)CC2 ZINC000834803017 629782147 /nfs/dbraw/zinc/78/21/47/629782147.db2.gz IGUZGZSFSIUMHX-MBOZVWFJSA-N 0 3 309.409 3.135 20 10 DGCDHN COCC(COC)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834891673 629799419 /nfs/dbraw/zinc/79/94/19/629799419.db2.gz PUCVHBJUZMUOIZ-MRXNPFEDSA-N 0 3 320.477 3.379 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccccn3)C1)CC2 ZINC000834903859 629803845 /nfs/dbraw/zinc/80/38/45/629803845.db2.gz LUJBQKNSHBXUCU-QGPMSJSTSA-N 0 3 310.397 3.284 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccccc1[O-] ZINC000834912580 629807526 /nfs/dbraw/zinc/80/75/26/629807526.db2.gz SMCSUQIPPGUYRR-DZGCQCFKSA-N 0 3 313.401 3.164 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000835029834 629829939 /nfs/dbraw/zinc/82/99/39/629829939.db2.gz SXJHTZKMTOTFSC-RMUOZIPVSA-N 0 3 322.452 3.358 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@H](CO)c2ccsc2)cc1 ZINC000835045866 629834550 /nfs/dbraw/zinc/83/45/50/629834550.db2.gz DXTJIUVDJCYQKE-REMYHPOOSA-N 0 3 302.443 3.151 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1ccn(C)n1 ZINC000840895037 630374656 /nfs/dbraw/zinc/37/46/56/630374656.db2.gz UXDAOZGPAHJPGV-HUUCEWRRSA-N 0 3 300.450 3.076 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CS[C@H](C)C2)c1[O-] ZINC000840959638 630386252 /nfs/dbraw/zinc/38/62/52/630386252.db2.gz XPWRUPDZAACGPB-SKDRFNHKSA-N 0 3 316.264 3.447 20 10 DGCDHN CC(C)c1ccc([C@H](N)C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000841034937 630399942 /nfs/dbraw/zinc/39/99/42/630399942.db2.gz FJJIGRHHHMEQMQ-QGZVFWFLSA-N 0 3 302.393 3.444 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842886654 630589624 /nfs/dbraw/zinc/58/96/24/630589624.db2.gz TVZINZWPAYUUST-PBHICJAKSA-N 0 3 317.477 3.193 20 10 DGCDHN Cc1cccc2nc(CC[NH2+][C@@H](C)c3cc(F)ccc3[O-])cn21 ZINC000842932453 630595044 /nfs/dbraw/zinc/59/50/44/630595044.db2.gz ALWOOMLBXRPXNO-ZDUSSCGKSA-N 0 3 313.376 3.381 20 10 DGCDHN CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000842934736 630595345 /nfs/dbraw/zinc/59/53/45/630595345.db2.gz YSIDMZKPAQLEJG-QLFBSQMISA-N 0 3 317.429 3.480 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN(C)CC[C@H]([NH3+])C(C)C)c1[O-] ZINC000843354401 630648836 /nfs/dbraw/zinc/64/88/36/630648836.db2.gz DUDUXYOKUIIOAE-HNNXBMFYSA-N 0 3 312.841 3.053 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000843414536 630653572 /nfs/dbraw/zinc/65/35/72/630653572.db2.gz HXFCHFJBMMHOAT-HIFRSBDPSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000843414536 630653575 /nfs/dbraw/zinc/65/35/75/630653575.db2.gz HXFCHFJBMMHOAT-HIFRSBDPSA-N 0 3 305.418 3.192 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1[O-] ZINC000843419992 630655590 /nfs/dbraw/zinc/65/55/90/630655590.db2.gz XWAFZJRQUHGMLQ-CYBMUJFWSA-N 0 3 318.804 3.439 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1[O-] ZINC000843419992 630655591 /nfs/dbraw/zinc/65/55/91/630655591.db2.gz XWAFZJRQUHGMLQ-CYBMUJFWSA-N 0 3 318.804 3.439 20 10 DGCDHN CC[C@H](N)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843483441 630661788 /nfs/dbraw/zinc/66/17/88/630661788.db2.gz CSTVSIPDWZCKAJ-YOEHRIQHSA-N 0 3 312.413 3.219 20 10 DGCDHN CC[C@@H](N)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843483434 630662131 /nfs/dbraw/zinc/66/21/31/630662131.db2.gz CSTVSIPDWZCKAJ-RHSMWYFYSA-N 0 3 312.413 3.219 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000844734549 630819753 /nfs/dbraw/zinc/81/97/53/630819753.db2.gz ZLZZGEKOHQZPOF-UHFFFAOYSA-N 0 3 322.412 3.049 20 10 DGCDHN COc1ccc(N(C)CCN(C)Cc2n[nH]c3ccccc32)cc1 ZINC000846052135 631208267 /nfs/dbraw/zinc/20/82/67/631208267.db2.gz LEIZKMDARCKIMS-UHFFFAOYSA-N 0 3 324.428 3.140 20 10 DGCDHN COc1ccc(N(C)CCN(C)Cc2[nH]nc3ccccc32)cc1 ZINC000846052135 631208269 /nfs/dbraw/zinc/20/82/69/631208269.db2.gz LEIZKMDARCKIMS-UHFFFAOYSA-N 0 3 324.428 3.140 20 10 DGCDHN COc1ccc(OC)c(CN[C@H](C)c2cccc(OC)c2O)c1 ZINC000846135265 631211473 /nfs/dbraw/zinc/21/14/73/631211473.db2.gz BKOKFLPTZJGCGA-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN COC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846150589 631212389 /nfs/dbraw/zinc/21/23/89/631212389.db2.gz JFJZVCOUUBLYTK-CZUORRHYSA-N 0 3 301.386 3.439 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c([O-])c1 ZINC000846181509 631213736 /nfs/dbraw/zinc/21/37/36/631213736.db2.gz ZQSDDEJNTJIBNP-MGPUTAFESA-N 0 3 311.425 3.228 20 10 DGCDHN C/C(=C\c1cccnc1)C(=O)N(CCN(C)C)c1ccccc1 ZINC000846842500 631325404 /nfs/dbraw/zinc/32/54/04/631325404.db2.gz YMVILHMEVRFPHS-JQIJEIRASA-N 0 3 309.413 3.080 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000848558470 631691953 /nfs/dbraw/zinc/69/19/53/631691953.db2.gz QKHMLLKXOOVTTG-CUSZFKRNSA-N 0 3 320.477 3.239 20 10 DGCDHN COC(=O)Cc1ccccc1CNCc1ccc(OC)c(C)c1 ZINC000848578847 631702927 /nfs/dbraw/zinc/70/29/27/631702927.db2.gz MXVWKORPAPRGJA-UHFFFAOYSA-N 0 3 313.397 3.009 20 10 DGCDHN CCc1cccc(CNCc2cc(OC)ccc2OC)c1O ZINC000848893034 631775609 /nfs/dbraw/zinc/77/56/09/631775609.db2.gz NSEYUSSGLMQRQM-UHFFFAOYSA-N 0 3 301.386 3.262 20 10 DGCDHN CCc1cccc(CN[C@H](c2nnc3ccccn32)C(C)C)c1O ZINC000848899110 631778631 /nfs/dbraw/zinc/77/86/31/631778631.db2.gz CDXOJKRMACKCPM-KRWDZBQOSA-N 0 3 324.428 3.484 20 10 DGCDHN COc1cccc(CN2C[C@@H](C)OC3(CCCCC3)C2)c1O ZINC000848928821 631792498 /nfs/dbraw/zinc/79/24/98/631792498.db2.gz ONJYANCTBXVLNB-CQSZACIVSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1ccc(O)c(CN2C[C@H](C)OC3(CCCCC3)C2)c1 ZINC000848929302 631792645 /nfs/dbraw/zinc/79/26/45/631792645.db2.gz VOAYPKHNWNUSPB-AWEZNQCLSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1cc(CNCc2c[nH]nc2C)c(O)c(C(C)(C)C)c1 ZINC000850028490 632032369 /nfs/dbraw/zinc/03/23/69/632032369.db2.gz BETUCUBZSXIIPE-UHFFFAOYSA-N 0 3 303.406 3.020 20 10 DGCDHN COC[C@H](CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])OC ZINC000850487197 632167609 /nfs/dbraw/zinc/16/76/09/632167609.db2.gz YEUPBCKESMVKQG-AAEUAGOBSA-N 0 3 301.814 3.056 20 10 DGCDHN COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)cc1 ZINC000850489817 632169055 /nfs/dbraw/zinc/16/90/55/632169055.db2.gz XEBZYAHFMNNNNZ-LSDHHAIUSA-N 0 3 312.413 3.330 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c([O-])c1 ZINC000850536768 632186089 /nfs/dbraw/zinc/18/60/89/632186089.db2.gz JSUZMWGKBJRRGH-DOMZBBRYSA-N 0 3 301.361 3.494 20 10 DGCDHN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CCc3cccc([O-])c32)cn1 ZINC000850541290 632186704 /nfs/dbraw/zinc/18/67/04/632186704.db2.gz UVXFYSGSGHELJR-BBWFWOEESA-N 0 3 311.429 3.114 20 10 DGCDHN CO[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CCC1 ZINC000851840422 632506961 /nfs/dbraw/zinc/50/69/61/632506961.db2.gz GPXVWIZPXBQFAS-HKUYNNGSSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CCC1 ZINC000851840422 632506964 /nfs/dbraw/zinc/50/69/64/632506964.db2.gz GPXVWIZPXBQFAS-HKUYNNGSSA-N 0 3 319.445 3.188 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000184912675 660194370 /nfs/dbraw/zinc/19/43/70/660194370.db2.gz WPFRTMZGJNHFHX-OWCLPIDISA-N 0 3 320.477 3.239 20 10 DGCDHN CCOc1ccccc1OCC[N@H+](C)Cc1ccccc1[O-] ZINC000072629587 660207000 /nfs/dbraw/zinc/20/70/00/660207000.db2.gz PORJIUIEVRUXOR-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN CCOc1ccccc1OCC[N@@H+](C)Cc1ccccc1[O-] ZINC000072629587 660207002 /nfs/dbraw/zinc/20/70/02/660207002.db2.gz PORJIUIEVRUXOR-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C2 ZINC000185334903 660215652 /nfs/dbraw/zinc/21/56/52/660215652.db2.gz LRPKKCKUJSHTPG-SMDDNHRTSA-N 0 3 317.360 3.194 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000185353902 660218072 /nfs/dbraw/zinc/21/80/72/660218072.db2.gz LVYOHRIPLRLYPF-AWEZNQCLSA-N 0 3 308.385 3.132 20 10 DGCDHN Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1F ZINC000073052741 660237850 /nfs/dbraw/zinc/23/78/50/660237850.db2.gz AMOVWJGAERYEAX-UHFFFAOYSA-N 0 3 314.404 3.261 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929976232 661355076 /nfs/dbraw/zinc/35/50/76/661355076.db2.gz MKYPESAXGKCUEG-GXTWGEPZSA-N 0 3 303.324 3.324 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929976232 661355078 /nfs/dbraw/zinc/35/50/78/661355078.db2.gz MKYPESAXGKCUEG-GXTWGEPZSA-N 0 3 303.324 3.324 20 10 DGCDHN C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc(F)ccc1[O-] ZINC000186478526 660446818 /nfs/dbraw/zinc/44/68/18/660446818.db2.gz SGXYKLWAJXZIAW-LBPRGKRZSA-N 0 3 313.376 3.311 20 10 DGCDHN CC(C)N(Cc1cnn(CCF)c1)Cc1ccc(N(C)C)cc1 ZINC000929295852 660524666 /nfs/dbraw/zinc/52/46/66/660524666.db2.gz NBMYKHWNSUOOIY-UHFFFAOYSA-N 0 3 318.440 3.329 20 10 DGCDHN CC[C@]1(O)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793091737 661004389 /nfs/dbraw/zinc/00/43/89/661004389.db2.gz DXLMMBMUHZVHEX-HNNXBMFYSA-N 0 3 316.367 3.118 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)c([O-])c1 ZINC000793387334 661029332 /nfs/dbraw/zinc/02/93/32/661029332.db2.gz DKAOOHIGDVZYDZ-UHFFFAOYSA-N 0 3 313.397 3.404 20 10 DGCDHN CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794789919 661105315 /nfs/dbraw/zinc/10/53/15/661105315.db2.gz BAIYDMKMMUSVFF-JZXOWHBKSA-N 0 3 320.477 3.241 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(C)cc1[O-] ZINC000794794876 661105823 /nfs/dbraw/zinc/10/58/23/661105823.db2.gz RQOAHUCEXTUOOO-QAPCUYQASA-N 0 3 315.413 3.181 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(C)cc1[O-] ZINC000794815888 661106926 /nfs/dbraw/zinc/10/69/26/661106926.db2.gz IJWYAIYUTNYYEB-SFHVURJKSA-N 0 3 324.424 3.227 20 10 DGCDHN CC[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1[O-] ZINC000319723038 657162099 /nfs/dbraw/zinc/16/20/99/657162099.db2.gz BEWQXUOWOKRQRB-MRXNPFEDSA-N 0 3 318.461 3.470 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000179879607 659945270 /nfs/dbraw/zinc/94/52/70/659945270.db2.gz WVBLZSHYOPDSAR-UONOGXRCSA-N 0 3 320.433 3.442 20 10 DGCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCc2ccccc2C1 ZINC000183455726 660113604 /nfs/dbraw/zinc/11/36/04/660113604.db2.gz NVHOTRRHDOFQAY-CVEARBPZSA-N 0 3 310.441 3.490 20 10 DGCDHN CCc1nn(C)cc1CN(CC)Cc1ccc(N(C)C)cc1 ZINC000183444059 660114356 /nfs/dbraw/zinc/11/43/56/660114356.db2.gz WUPUTCXMWQRTEX-UHFFFAOYSA-N 0 3 300.450 3.071 20 10 DGCDHN COc1ccc2ccc(O)c(CN3C[C@@H](C)OC[C@H]3C)c2c1 ZINC000043751590 661849025 /nfs/dbraw/zinc/84/90/25/661849025.db2.gz BRBIVJKQPFIOQF-CHWSQXEVSA-N 0 3 301.386 3.163 20 10 DGCDHN CC[C@H]([NH2+][C@H]1COc2c(cccc2OC)C1)c1ccccc1[O-] ZINC000155623306 661849738 /nfs/dbraw/zinc/84/97/38/661849738.db2.gz QLXNUTQRWNHGIR-ZBFHGGJFSA-N 0 3 313.397 3.445 20 10 DGCDHN CN(C)Cc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000047505638 661877726 /nfs/dbraw/zinc/87/77/26/661877726.db2.gz CCXTWMJSIYGIBY-UHFFFAOYSA-N 0 3 313.401 3.118 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188807623 661945901 /nfs/dbraw/zinc/94/59/01/661945901.db2.gz YNZCGZBFNFYOAI-RISCZKNCSA-N 0 3 321.314 3.105 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000076074406 661966843 /nfs/dbraw/zinc/96/68/43/661966843.db2.gz TVLNVRNFBVTWNR-LSDHHAIUSA-N 0 3 306.450 3.298 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000076074406 661966845 /nfs/dbraw/zinc/96/68/45/661966845.db2.gz TVLNVRNFBVTWNR-LSDHHAIUSA-N 0 3 306.450 3.298 20 10 DGCDHN Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000191585647 662073179 /nfs/dbraw/zinc/07/31/79/662073179.db2.gz HERLZNQUANFHEM-XJKSGUPXSA-N 0 3 303.377 3.094 20 10 DGCDHN Cc1ccc(O)c(CN2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000092754480 662335248 /nfs/dbraw/zinc/33/52/48/662335248.db2.gz TZTDANJVVHUJEK-UHFFFAOYSA-N 0 3 320.433 3.001 20 10 DGCDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000389854495 685197103 /nfs/dbraw/zinc/19/71/03/685197103.db2.gz YNSWJNCBMVAJPH-ATZDWAIDSA-N 0 3 322.452 3.490 20 10 DGCDHN CCCC[C@H](N)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001577400690 1191898038 /nfs/dbraw/zinc/89/80/38/1191898038.db2.gz FEBVXASCKYVQKJ-KRWDZBQOSA-N 0 3 305.466 3.009 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)c1[O-] ZINC001660840518 1196532513 /nfs/dbraw/zinc/53/25/13/1196532513.db2.gz FYFSWRMQLURXBI-ZDUSSCGKSA-N 0 3 313.825 3.492 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@@H]2CCOC23CCCC3)cc1F ZINC001343321968 1179255547 /nfs/dbraw/zinc/25/55/47/1179255547.db2.gz YPUBVYPQFZETQV-MRXNPFEDSA-N 0 3 310.388 3.222 20 10 DGCDHN COc1cc(CN2CCC[C@@H]3COC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC001347393940 1179802097 /nfs/dbraw/zinc/80/20/97/1179802097.db2.gz FLARZOBTWLPVQE-DYVFJYSZSA-N 0 3 319.445 3.309 20 10 DGCDHN COC[C@H](NCc1cc(C)cc(OC)c1O)c1ccccc1 ZINC001353585547 1180598395 /nfs/dbraw/zinc/59/83/95/1180598395.db2.gz YBCHGDWXSGKBSL-INIZCTEOSA-N 0 3 301.386 3.187 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c([O-])c1 ZINC001474595863 1181593941 /nfs/dbraw/zinc/59/39/41/1181593941.db2.gz PVYRZNNXNRURBT-CQSZACIVSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c([O-])c1 ZINC001474595863 1181593945 /nfs/dbraw/zinc/59/39/45/1181593945.db2.gz PVYRZNNXNRURBT-CQSZACIVSA-N 0 3 305.418 3.100 20 10 DGCDHN C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC001460641180 1182703537 /nfs/dbraw/zinc/70/35/37/1182703537.db2.gz YJEBKEYMHWROIZ-JTQLQIEISA-N 0 3 322.767 3.474 20 10 DGCDHN Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001605875563 1193181433 /nfs/dbraw/zinc/18/14/33/1193181433.db2.gz JIWKHEPMXGGZRI-CYBMUJFWSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001605875563 1193181434 /nfs/dbraw/zinc/18/14/34/1193181434.db2.gz JIWKHEPMXGGZRI-CYBMUJFWSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001605875563 1193181435 /nfs/dbraw/zinc/18/14/35/1193181435.db2.gz JIWKHEPMXGGZRI-CYBMUJFWSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001605875563 1193181436 /nfs/dbraw/zinc/18/14/36/1193181436.db2.gz JIWKHEPMXGGZRI-CYBMUJFWSA-N 0 3 323.400 3.074 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@@H]2CC(C)(C)OC2(C)C)cc1F ZINC001461387484 1182804019 /nfs/dbraw/zinc/80/40/19/1182804019.db2.gz LTWRFYBNWBSQGR-OAHLLOKOSA-N 0 3 312.404 3.467 20 10 DGCDHN Cc1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c(O)c1 ZINC001461872666 1182866907 /nfs/dbraw/zinc/86/69/07/1182866907.db2.gz WZKOJGLLRPIWKQ-FQEVSTJZSA-N 0 3 309.409 3.375 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC001462169573 1182917365 /nfs/dbraw/zinc/91/73/65/1182917365.db2.gz KNCHRXVJWNQNKR-ZWNOBZJWSA-N 0 3 303.324 3.482 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC001462169573 1182917371 /nfs/dbraw/zinc/91/73/71/1182917371.db2.gz KNCHRXVJWNQNKR-ZWNOBZJWSA-N 0 3 303.324 3.482 20 10 DGCDHN CCc1cc(CNCc2ccc(N(CC)CC)c(F)c2)n[nH]1 ZINC001473997745 1183846956 /nfs/dbraw/zinc/84/69/56/1183846956.db2.gz MTCDIELWNNAMQN-UHFFFAOYSA-N 0 3 304.413 3.247 20 10 DGCDHN Cc1ccc(CN(CC(=O)N2CCCCCC2)C(C)C)c(O)c1 ZINC001474513917 1183933810 /nfs/dbraw/zinc/93/38/10/1183933810.db2.gz XFRKLGZWTOYOCQ-UHFFFAOYSA-N 0 3 318.461 3.314 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c([O-])c1 ZINC001474582369 1183944890 /nfs/dbraw/zinc/94/48/90/1183944890.db2.gz IOJAPAIWXQXMER-GOSISDBHSA-N 0 3 319.445 3.346 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c([O-])c1 ZINC001474582369 1183944891 /nfs/dbraw/zinc/94/48/91/1183944891.db2.gz IOJAPAIWXQXMER-GOSISDBHSA-N 0 3 319.445 3.346 20 10 DGCDHN CO[C@]1(C(F)(F)F)CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC001474683691 1183961902 /nfs/dbraw/zinc/96/19/02/1183961902.db2.gz PWEWSPAMYWYJGR-OAHLLOKOSA-N 0 3 316.367 3.214 20 10 DGCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C ZINC001537484511 1188078012 /nfs/dbraw/zinc/07/80/12/1188078012.db2.gz WXPKUGSCNQOJDN-YOEHRIQHSA-N 0 3 319.493 3.154 20 10 DGCDHN C[C@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccccc1[O-] ZINC001560074774 1189275463 /nfs/dbraw/zinc/27/54/63/1189275463.db2.gz FSVKIELDJDSVAA-NSHDSACASA-N 0 3 304.777 3.335 20 10 DGCDHN CC(C)CC[C@](C)(O)CNCc1cc(F)c(N(C)C)cc1F ZINC001560344414 1189315338 /nfs/dbraw/zinc/31/53/38/1189315338.db2.gz XIBBOJXAINJJGS-KRWDZBQOSA-N 0 3 314.420 3.308 20 10 DGCDHN Cc1ccc(CN(C)Cc2cc(Br)cn2C)c(O)c1 ZINC001560670306 1189357960 /nfs/dbraw/zinc/35/79/60/1189357960.db2.gz AMADIQZIYVGVAT-UHFFFAOYSA-N 0 3 323.234 3.434 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC001560749249 1189374665 /nfs/dbraw/zinc/37/46/65/1189374665.db2.gz DHFXHZRXYPNANJ-UKRRQHHQSA-N 0 3 306.425 3.274 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCC3(CCC3)CO2)cc1F ZINC001621069616 1193798596 /nfs/dbraw/zinc/79/85/96/1193798596.db2.gz FRYODIMQDFRGDJ-AWEZNQCLSA-N 0 3 324.415 3.470 20 10 DGCDHN COC(=O)c1c(CN2CC[C@@H](C)[C@@H]2C)c2cc(F)ccc2n1C ZINC001621136599 1193806845 /nfs/dbraw/zinc/80/68/45/1193806845.db2.gz VXYDQCVYGQTPKA-NEPJUHHUSA-N 0 3 318.392 3.334 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001641902226 1194877722 /nfs/dbraw/zinc/87/77/22/1194877722.db2.gz KJIDDQHRPPSZIJ-HKUYNNGSSA-N 0 3 319.445 3.332 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001641902226 1194877724 /nfs/dbraw/zinc/87/77/24/1194877724.db2.gz KJIDDQHRPPSZIJ-HKUYNNGSSA-N 0 3 319.445 3.332 20 10 DGCDHN CC[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCCO1 ZINC001651269066 1195435909 /nfs/dbraw/zinc/43/59/09/1195435909.db2.gz JEEKVIHYIJONNP-RDJZCZTQSA-N 0 3 312.404 3.468 20 10 DGCDHN COc1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000067980199 1195687047 /nfs/dbraw/zinc/68/70/47/1195687047.db2.gz BDKHNYRNYWKAIO-UHFFFAOYSA-N 0 3 321.424 3.499 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCCCC23OCCO3)cc1 ZINC001653246666 1195703565 /nfs/dbraw/zinc/70/35/65/1195703565.db2.gz WFDYNENSTHWBKM-DUMMIQTOSA-N 0 3 316.445 3.041 20 10 DGCDHN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc2c(c1)CCCO2 ZINC001655951101 1195982028 /nfs/dbraw/zinc/98/20/28/1195982028.db2.gz YZZJZIXMVNSYMV-UHFFFAOYSA-N 0 3 318.461 3.042 20 10 DGCDHN CC(C)c1ccc(O)c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC001657921107 1196193691 /nfs/dbraw/zinc/19/36/91/1196193691.db2.gz PDBDKSHZDRKEGH-BEFAXECRSA-N 0 3 319.445 3.286 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC001658929315 1196321361 /nfs/dbraw/zinc/32/13/61/1196321361.db2.gz JXLJWGUFNKXYLD-UKRRQHHQSA-N 0 3 320.433 3.046 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCc2cc(C)ccc2F)c([O-])c1 ZINC001659227422 1196361480 /nfs/dbraw/zinc/36/14/80/1196361480.db2.gz NQDHBSAINFTZMF-UHFFFAOYSA-N 0 3 303.377 3.489 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC001659250726 1196363328 /nfs/dbraw/zinc/36/33/28/1196363328.db2.gz VXUMDTXTKIZHPZ-KSSFIOAISA-N 0 3 307.434 3.250 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001659250571 1196363511 /nfs/dbraw/zinc/36/35/11/1196363511.db2.gz UQQZWIZTJDCXCT-UHFFFAOYSA-N 0 3 300.255 3.235 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H]2CSc3ccccc3O2)c([O-])c1 ZINC001659535438 1196392690 /nfs/dbraw/zinc/39/26/90/1196392690.db2.gz XDAXZLMUDBWDNB-CQSZACIVSA-N 0 3 301.411 3.344 20 10 DGCDHN Cc1ccc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c([O-])c1 ZINC001659739708 1196409790 /nfs/dbraw/zinc/40/97/90/1196409790.db2.gz QKFYOBXUJJBJNC-UHFFFAOYSA-N 0 3 305.418 3.302 20 10 DGCDHN CC(C)c1ccc(O)c(CN[C@@](C)(CO)c2cccc(O)c2)c1 ZINC001660327343 1196471901 /nfs/dbraw/zinc/47/19/01/1196471901.db2.gz MMRPFLHOWGFQAL-IBGZPJMESA-N 0 3 315.413 3.219 20 10 DGCDHN CC(C)N1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001661351177 1196596958 /nfs/dbraw/zinc/59/69/58/1196596958.db2.gz MSRRZMNSRJXQLR-GFCCVEGCSA-N 0 3 314.832 3.395 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c([O-])c1 ZINC001664820996 1197063127 /nfs/dbraw/zinc/06/31/27/1197063127.db2.gz FWCYWRBSOYESTF-SFHVURJKSA-N 0 3 317.429 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c([O-])c1 ZINC001664820996 1197063129 /nfs/dbraw/zinc/06/31/29/1197063129.db2.gz FWCYWRBSOYESTF-SFHVURJKSA-N 0 3 317.429 3.100 20 10 DGCDHN COc1ccc(N(C)CC[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC001665164621 1197103949 /nfs/dbraw/zinc/10/39/49/1197103949.db2.gz UHGMSEMOBJFTSN-UHFFFAOYSA-N 0 3 318.392 3.108 20 10 DGCDHN COc1ccc(N(C)CC[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC001665164621 1197103952 /nfs/dbraw/zinc/10/39/52/1197103952.db2.gz UHGMSEMOBJFTSN-UHFFFAOYSA-N 0 3 318.392 3.108 20 10 DGCDHN C[C@@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000227579026 1202568126 /nfs/dbraw/zinc/56/81/26/1202568126.db2.gz KNKWDCYQPUPGOO-PNESKVBLSA-N 0 3 306.406 3.099 20 10 DGCDHN COc1ccc(CN2CCN(c3ccccc3C)CC2)c(O)c1 ZINC000162447923 1203455568 /nfs/dbraw/zinc/45/55/68/1203455568.db2.gz MKTZQXFUFVNWKK-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c([O-])c1 ZINC001183673277 1083995264 /nfs/dbraw/zinc/99/52/64/1083995264.db2.gz PQZWUNGZTQKRSR-CYBMUJFWSA-N 0 3 318.442 3.464 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c([O-])c1 ZINC001183673277 1083995271 /nfs/dbraw/zinc/99/52/71/1083995271.db2.gz PQZWUNGZTQKRSR-CYBMUJFWSA-N 0 3 318.442 3.464 20 10 DGCDHN CCC1([NH+]2CCC2)CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001207582052 1084082846 /nfs/dbraw/zinc/08/28/46/1084082846.db2.gz TVPXSVVKSDANEA-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN CCN(Cc1ccccc1O)Cc1cccc(OC)c1OC ZINC001203453545 1090737606 /nfs/dbraw/zinc/73/76/06/1090737606.db2.gz ZLCNRNBARDAYMJ-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC001203549937 1090752784 /nfs/dbraw/zinc/75/27/84/1090752784.db2.gz DGMCZLRRASGDJP-UKRRQHHQSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC001203549937 1090752788 /nfs/dbraw/zinc/75/27/88/1090752788.db2.gz DGMCZLRRASGDJP-UKRRQHHQSA-N 0 3 320.433 3.127 20 10 DGCDHN COc1ccc([O-])c(C[N@H+](C2CCCC2)C2CCN(C)CC2)c1 ZINC001203684328 1090779799 /nfs/dbraw/zinc/77/97/99/1090779799.db2.gz RTMNSLMORGLUIR-UHFFFAOYSA-N 0 3 318.461 3.240 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+](C2CCCC2)C2CCN(C)CC2)c1 ZINC001203684328 1090779800 /nfs/dbraw/zinc/77/98/00/1090779800.db2.gz RTMNSLMORGLUIR-UHFFFAOYSA-N 0 3 318.461 3.240 20 10 DGCDHN CCOC(OCC)[C@H](C)NCc1c(C)c2ccccc2n1C ZINC001204137435 1090907522 /nfs/dbraw/zinc/90/75/22/1090907522.db2.gz VZNDINVLJGBFIM-AWEZNQCLSA-N 0 3 304.434 3.364 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001204278819 1090938851 /nfs/dbraw/zinc/93/88/51/1090938851.db2.gz KIERMBLOUBCKIF-UHFFFAOYSA-N 0 3 313.397 3.279 20 10 DGCDHN [O-]c1cc(O)ccc1C[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001204278819 1090938855 /nfs/dbraw/zinc/93/88/55/1090938855.db2.gz KIERMBLOUBCKIF-UHFFFAOYSA-N 0 3 313.397 3.279 20 10 DGCDHN COc1cc(Br)cc(CN2CCC3(CC3)C2)c1O ZINC001204337707 1090951538 /nfs/dbraw/zinc/95/15/38/1090951538.db2.gz KXWLXIXJUPRLHA-UHFFFAOYSA-N 0 3 312.207 3.149 20 10 DGCDHN CCOCCN(CCOCC)Cc1c2ccccc2n(C)c1C ZINC001138258051 1091125995 /nfs/dbraw/zinc/12/59/95/1091125995.db2.gz JMNOKOQUVGPKKO-UHFFFAOYSA-N 0 3 318.461 3.362 20 10 DGCDHN Cc1c(CN2CC(N3CCC(F)CC3)C2)c2ccccc2n1C ZINC001138258504 1091127248 /nfs/dbraw/zinc/12/72/48/1091127248.db2.gz TYYIAUIRQOAISJ-UHFFFAOYSA-N 0 3 315.436 3.105 20 10 DGCDHN CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)CCCN2C ZINC001138356969 1091150873 /nfs/dbraw/zinc/15/08/73/1091150873.db2.gz WNQVGLYEKCDWEQ-UHFFFAOYSA-N 0 3 324.424 3.430 20 10 DGCDHN CCCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@@H]2OC)cc1C ZINC001205298571 1091170784 /nfs/dbraw/zinc/17/07/84/1091170784.db2.gz GLTQKQOBTMZWFL-KBAYOESNSA-N 0 3 307.434 3.066 20 10 DGCDHN Cc1cc([O-])c(CN2CCCC[C@@](F)(C[NH3+])C2)cc1Cl ZINC001206363661 1091600722 /nfs/dbraw/zinc/60/07/22/1091600722.db2.gz ZLEKFTLPFUAQSV-OAHLLOKOSA-N 0 3 300.805 3.007 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@H](F)C[C@H]([NH3+])C2)cc1Cl ZINC001206456743 1091638513 /nfs/dbraw/zinc/63/85/13/1091638513.db2.gz PFCBBAQRGDYKKK-NEPJUHHUSA-N 0 3 314.832 3.214 20 10 DGCDHN C[C@@]1(C[NH3+])CCCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001206575861 1091675292 /nfs/dbraw/zinc/67/52/92/1091675292.db2.gz ZYEKFXFENNYDSN-HNNXBMFYSA-N 0 3 300.805 3.136 20 10 DGCDHN CCOC(=O)C1(C(C)C)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140060080 1091753742 /nfs/dbraw/zinc/75/37/42/1091753742.db2.gz KBUMYDDKNXCMGW-UHFFFAOYSA-N 0 3 323.408 3.333 20 10 DGCDHN Cc1ccc(C)c(CN2CCC(C(=O)C(F)(F)F)CC2)c1O ZINC001140181453 1091794040 /nfs/dbraw/zinc/79/40/40/1091794040.db2.gz BTHRPFYPRONGJJ-UHFFFAOYSA-N 0 3 315.335 3.352 20 10 DGCDHN CCN(Cc1ccc(C(=O)OC)s1)Cc1ccccc1O ZINC001140524189 1091895844 /nfs/dbraw/zinc/89/58/44/1091895844.db2.gz VTHDCVCXYTYRMN-UHFFFAOYSA-N 0 3 305.399 3.262 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(Cc3ccccc3F)CC2)c1 ZINC001140621336 1091935478 /nfs/dbraw/zinc/93/54/78/1091935478.db2.gz XJRDIOXMNKIOLW-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN CN(C)c1ccc(CN2CCCC[C@@](O)(CF)C2)c(Cl)c1 ZINC001140921472 1092062716 /nfs/dbraw/zinc/06/27/16/1092062716.db2.gz DYWJQMIDBXPOJK-MRXNPFEDSA-N 0 3 314.832 3.093 20 10 DGCDHN CN(C)c1ccc(CN2CCC3(C[C@H]3CCO)CC2)c(Cl)c1 ZINC001140922563 1092064589 /nfs/dbraw/zinc/06/45/89/1092064589.db2.gz UOLJEWRIUQTOIZ-OAHLLOKOSA-N 0 3 322.880 3.391 20 10 DGCDHN COc1cc(O)c(CN(C)Cc2ccccc2C)c(OC)c1 ZINC001141027302 1092110780 /nfs/dbraw/zinc/11/07/80/1092110780.db2.gz UHZWKSYRBHUUTE-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCc2cccs2)c(OC)c1 ZINC001141028440 1092110967 /nfs/dbraw/zinc/11/09/67/1092110967.db2.gz OMSSGJCFSMHPDI-UHFFFAOYSA-N 0 3 307.415 3.145 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2cccs2)c(OC)c1 ZINC001141028440 1092110975 /nfs/dbraw/zinc/11/09/75/1092110975.db2.gz OMSSGJCFSMHPDI-UHFFFAOYSA-N 0 3 307.415 3.145 20 10 DGCDHN CC[N@H+](Cc1ccccc1)Cc1c([O-])cc(OC)cc1OC ZINC001141032168 1092112143 /nfs/dbraw/zinc/11/21/43/1092112143.db2.gz UQZTZLSKSCBTEY-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CC[N@@H+](Cc1ccccc1)Cc1c([O-])cc(OC)cc1OC ZINC001141032168 1092112150 /nfs/dbraw/zinc/11/21/50/1092112150.db2.gz UQZTZLSKSCBTEY-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN CCN(Cc1ccccc1)Cc1c(O)cc(OC)cc1OC ZINC001141032168 1092112155 /nfs/dbraw/zinc/11/21/55/1092112155.db2.gz UQZTZLSKSCBTEY-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN Cc1cccc2c1CCN(Cc1ccc3c(c1)OCCN3C)C2 ZINC001141140324 1092147905 /nfs/dbraw/zinc/14/79/05/1092147905.db2.gz KOEBRLPHICNHRV-UHFFFAOYSA-N 0 3 308.425 3.382 20 10 DGCDHN CN1CCOc2cc(CN3CC[C@H](F)C(F)(F)CC3)ccc21 ZINC001141141108 1092149102 /nfs/dbraw/zinc/14/91/02/1092149102.db2.gz UDUZZDAJQOTABM-HNNXBMFYSA-N 0 3 314.351 3.084 20 10 DGCDHN C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1[O-] ZINC001141155200 1092153768 /nfs/dbraw/zinc/15/37/68/1092153768.db2.gz GITWQTJCZKNGAD-UHFFFAOYSA-N 0 3 307.296 3.346 20 10 DGCDHN C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1[O-] ZINC001141155200 1092153774 /nfs/dbraw/zinc/15/37/74/1092153774.db2.gz GITWQTJCZKNGAD-UHFFFAOYSA-N 0 3 307.296 3.346 20 10 DGCDHN CCN(CC[N@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC001208578621 1092403894 /nfs/dbraw/zinc/40/38/94/1092403894.db2.gz FZBIHACOBAXEDU-UHFFFAOYSA-N 0 3 308.422 3.081 20 10 DGCDHN CCN(CC[N@@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC001208578621 1092403903 /nfs/dbraw/zinc/40/39/03/1092403903.db2.gz FZBIHACOBAXEDU-UHFFFAOYSA-N 0 3 308.422 3.081 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC001209763095 1092909716 /nfs/dbraw/zinc/90/97/16/1092909716.db2.gz OZFSLANOSHZTTK-UHFFFAOYSA-N 0 3 305.381 3.341 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC001209763095 1092909724 /nfs/dbraw/zinc/90/97/24/1092909724.db2.gz OZFSLANOSHZTTK-UHFFFAOYSA-N 0 3 305.381 3.341 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[NH2+]C[C@@H](F)C2)cc1Cl ZINC001210610303 1093225694 /nfs/dbraw/zinc/22/56/94/1093225694.db2.gz MKLJOTHIVVKIBR-GFCCVEGCSA-N 0 3 314.832 3.086 20 10 DGCDHN Cc1ccc(O[C@@H]2CN3C[C@H]2NCC3)c(/N=N/c2ccccc2)c1 ZINC001218111137 1094608345 /nfs/dbraw/zinc/60/83/45/1094608345.db2.gz UBONZPAZMNKAEZ-AEZKDZDTSA-N 0 3 322.412 3.445 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222252615 1095512784 /nfs/dbraw/zinc/51/27/84/1095512784.db2.gz HRBLHERMBJEKDZ-HNNXBMFYSA-N 0 3 314.351 3.129 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222436780 1095614891 /nfs/dbraw/zinc/61/48/91/1095614891.db2.gz ZZQKFXXLXWDDTJ-OAHLLOKOSA-N 0 3 314.351 3.129 20 10 DGCDHN Cc1cc(CN2CCc3cc(CO)ccc3C2)ccc1N(C)C ZINC001139670038 1095615209 /nfs/dbraw/zinc/61/52/09/1095615209.db2.gz WQFPIYPORRYUGC-UHFFFAOYSA-N 0 3 310.441 3.112 20 10 DGCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ncccc1N(C)C ZINC001117633507 1095788508 /nfs/dbraw/zinc/78/85/08/1095788508.db2.gz RZXKSKVKHVRSDY-KBPBESRZSA-N 0 3 311.429 3.500 20 10 DGCDHN Cn1ncc(C2CC2)c1CNCc1ccc(N2CCCC2)cc1 ZINC001118479756 1096018715 /nfs/dbraw/zinc/01/87/15/1096018715.db2.gz UMNAIYKWZXEBBU-UHFFFAOYSA-N 0 3 310.445 3.188 20 10 DGCDHN CCOC(=O)C1(C)CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001171956617 1097004638 /nfs/dbraw/zinc/00/46/38/1097004638.db2.gz HZLYHOPOCCLEHW-UHFFFAOYSA-N 0 3 317.429 3.262 20 10 DGCDHN CCOC(=O)C1(C)CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001171956617 1097004643 /nfs/dbraw/zinc/00/46/43/1097004643.db2.gz HZLYHOPOCCLEHW-UHFFFAOYSA-N 0 3 317.429 3.262 20 10 DGCDHN COc1ccc(N2CCN([C@H](C)CCOC(C)C)CC2)cc1 ZINC001172440395 1097154881 /nfs/dbraw/zinc/15/48/81/1097154881.db2.gz MBTRVBQFVPFYDQ-MRXNPFEDSA-N 0 3 306.450 3.021 20 10 DGCDHN CCOc1ccc(N2CCN([C@H](C)CCOC(C)C)CC2)cc1 ZINC001172455515 1097160365 /nfs/dbraw/zinc/16/03/65/1097160365.db2.gz UYGGPVSLZIOWIY-QGZVFWFLSA-N 0 3 320.477 3.411 20 10 DGCDHN CCCCCN1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231853846 1097864859 /nfs/dbraw/zinc/86/48/59/1097864859.db2.gz RSGJDMXZMFBTNA-UHFFFAOYSA-N 0 3 319.493 3.069 20 10 DGCDHN [O-]c1c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)ccc2ccccc21 ZINC001231881026 1097877603 /nfs/dbraw/zinc/87/76/03/1097877603.db2.gz QLGTYLOWXTXERN-HNNXBMFYSA-N 0 3 318.367 3.071 20 10 DGCDHN [O-]c1c(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)ccc2ccccc21 ZINC001231881026 1097877610 /nfs/dbraw/zinc/87/76/10/1097877610.db2.gz QLGTYLOWXTXERN-HNNXBMFYSA-N 0 3 318.367 3.071 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1c[nH]c3cc(Cl)ncc13)CC2 ZINC001232824018 1098145791 /nfs/dbraw/zinc/14/57/91/1098145791.db2.gz NZVUMNSZJYXBIK-UHFFFAOYSA-N 0 3 313.788 3.480 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1c[nH]c3cc(Cl)ncc13)CC2 ZINC001232824018 1098145795 /nfs/dbraw/zinc/14/57/95/1098145795.db2.gz NZVUMNSZJYXBIK-UHFFFAOYSA-N 0 3 313.788 3.480 20 10 DGCDHN CN(Cc1cc(O)cc(Br)c1)Cc1ccccc1O ZINC001232998947 1098196925 /nfs/dbraw/zinc/19/69/25/1098196925.db2.gz KYNPYXXPZUJDTO-UHFFFAOYSA-N 0 3 322.202 3.492 20 10 DGCDHN Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1O ZINC001233111024 1098228414 /nfs/dbraw/zinc/22/84/14/1098228414.db2.gz XMJZWHWGIPFFPA-TVYUQYBPSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1[O-] ZINC001233111024 1098228419 /nfs/dbraw/zinc/22/84/19/1098228419.db2.gz XMJZWHWGIPFFPA-TVYUQYBPSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1[O-] ZINC001233111024 1098228421 /nfs/dbraw/zinc/22/84/21/1098228421.db2.gz XMJZWHWGIPFFPA-TVYUQYBPSA-N 0 3 314.198 3.395 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC001233284487 1098274556 /nfs/dbraw/zinc/27/45/56/1098274556.db2.gz WTXJDZDTZQFRHD-CQSZACIVSA-N 0 3 313.388 3.139 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001233454022 1098341131 /nfs/dbraw/zinc/34/11/31/1098341131.db2.gz CVPHFAWVDPZDNX-CQSZACIVSA-N 0 3 314.351 3.081 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001233454022 1098341139 /nfs/dbraw/zinc/34/11/39/1098341139.db2.gz CVPHFAWVDPZDNX-CQSZACIVSA-N 0 3 314.351 3.081 20 10 DGCDHN CC(C)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233452851 1098341203 /nfs/dbraw/zinc/34/12/03/1098341203.db2.gz MQTPOYQKANBBON-UHFFFAOYSA-N 0 3 316.367 3.185 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(CCCO4)C3)c2c1 ZINC001234525930 1098581426 /nfs/dbraw/zinc/58/14/26/1098581426.db2.gz NHNXPQMYCPGBCZ-LJQANCHMSA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(CCCO4)C3)c2c1 ZINC001234525930 1098581431 /nfs/dbraw/zinc/58/14/31/1098581431.db2.gz NHNXPQMYCPGBCZ-LJQANCHMSA-N 0 3 313.397 3.309 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCCC[C@@H]3C(C)=O)c2c1 ZINC001234562514 1098602257 /nfs/dbraw/zinc/60/22/57/1098602257.db2.gz OWDDDVYSJVIDQA-GOSISDBHSA-N 0 3 313.397 3.498 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C(C)=O)c2c1 ZINC001234562514 1098602262 /nfs/dbraw/zinc/60/22/62/1098602262.db2.gz OWDDDVYSJVIDQA-GOSISDBHSA-N 0 3 313.397 3.498 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@@H]3C(C)=O)c2c1 ZINC001234562514 1098602268 /nfs/dbraw/zinc/60/22/68/1098602268.db2.gz OWDDDVYSJVIDQA-GOSISDBHSA-N 0 3 313.397 3.498 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H](C)c3cccnc3)cc2)CC1 ZINC001234658124 1098634610 /nfs/dbraw/zinc/63/46/10/1098634610.db2.gz VAHUTBYVMQXXSY-INIZCTEOSA-N 0 3 311.429 3.364 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H](C)COC(C)(C)C)cc2)CC1 ZINC001234657620 1098635171 /nfs/dbraw/zinc/63/51/71/1098635171.db2.gz FQRAMQPRZUFOPZ-INIZCTEOSA-N 0 3 320.477 3.411 20 10 DGCDHN [O-]c1c(C[N@H+]2C[C@H](F)C[C@H](CO)C2)cccc1-c1ccccc1 ZINC001234993257 1098738786 /nfs/dbraw/zinc/73/87/86/1098738786.db2.gz XSZKLZCARJDPFX-WMLDXEAASA-N 0 3 315.388 3.212 20 10 DGCDHN [O-]c1c(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)cccc1-c1ccccc1 ZINC001234993257 1098738796 /nfs/dbraw/zinc/73/87/96/1098738796.db2.gz XSZKLZCARJDPFX-WMLDXEAASA-N 0 3 315.388 3.212 20 10 DGCDHN CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996670 1098741392 /nfs/dbraw/zinc/74/13/92/1098741392.db2.gz LVTJKFJCWGEWRC-SFHVURJKSA-N 0 3 324.424 3.112 20 10 DGCDHN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996670 1098741401 /nfs/dbraw/zinc/74/14/01/1098741401.db2.gz LVTJKFJCWGEWRC-SFHVURJKSA-N 0 3 324.424 3.112 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1Cl ZINC001235170227 1098852919 /nfs/dbraw/zinc/85/29/19/1098852919.db2.gz CUCVEVZMWRSLQU-YVEFUNNKSA-N 0 3 308.853 3.266 20 10 DGCDHN C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001235679207 1099122910 /nfs/dbraw/zinc/12/29/10/1099122910.db2.gz DNFVHVZTGFPWEW-INIZCTEOSA-N 0 3 319.445 3.417 20 10 DGCDHN C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001235679207 1099122914 /nfs/dbraw/zinc/12/29/14/1099122914.db2.gz DNFVHVZTGFPWEW-INIZCTEOSA-N 0 3 319.445 3.417 20 10 DGCDHN [O-]c1c(CN2CC3(C2)CCCC[NH2+]3)cccc1-c1ccccc1 ZINC001235921603 1099258503 /nfs/dbraw/zinc/25/85/03/1099258503.db2.gz GTDVRBFBNRHRGT-UHFFFAOYSA-N 0 3 308.425 3.387 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1Cl ZINC001235988872 1099313257 /nfs/dbraw/zinc/31/32/57/1099313257.db2.gz ARVLLJYDYHUZSE-SJKOYZFVSA-N 0 3 308.853 3.266 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN(C2CC2)C2C[NH2+]C2)cc1Cl ZINC001236063415 1099363052 /nfs/dbraw/zinc/36/30/52/1099363052.db2.gz HQTXWUZLUBFQJB-UHFFFAOYSA-N 0 3 308.853 3.279 20 10 DGCDHN CN(Cc1cc(Cl)c(Cl)cc1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215024 1099471280 /nfs/dbraw/zinc/47/12/80/1099471280.db2.gz GZMPWERFYQSJSR-STQMWFEESA-N 0 3 303.233 3.401 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCc3c(N)cccc3C2)c1O ZINC001236365486 1099554495 /nfs/dbraw/zinc/55/44/95/1099554495.db2.gz LWVRGKFPKXLBAE-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCc3c(N)cccc3C2)c1[O-] ZINC001236365486 1099554510 /nfs/dbraw/zinc/55/45/10/1099554510.db2.gz LWVRGKFPKXLBAE-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCc3c(N)cccc3C2)c1[O-] ZINC001236365486 1099554523 /nfs/dbraw/zinc/55/45/23/1099554523.db2.gz LWVRGKFPKXLBAE-UHFFFAOYSA-N 0 3 302.805 3.495 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653715 1099723883 /nfs/dbraw/zinc/72/38/83/1099723883.db2.gz MINNMYCRGGCXEK-AWEZNQCLSA-N 0 3 310.388 3.167 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cc(OC)c(OC)cc1O ZINC001236757801 1099772538 /nfs/dbraw/zinc/77/25/38/1099772538.db2.gz PKNTYZUKQBDPOF-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cc(OC)c(OC)cc1O ZINC001236757801 1099772544 /nfs/dbraw/zinc/77/25/44/1099772544.db2.gz PKNTYZUKQBDPOF-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC)C2)c([O-])c1 ZINC001236783137 1099780512 /nfs/dbraw/zinc/78/05/12/1099780512.db2.gz IIPYBHWPANNXDB-KRWDZBQOSA-N 0 3 318.461 3.035 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)N(CC)CC)C2)c([O-])c1 ZINC001236783137 1099780521 /nfs/dbraw/zinc/78/05/21/1099780521.db2.gz IIPYBHWPANNXDB-KRWDZBQOSA-N 0 3 318.461 3.035 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(CC)cc2[O-])C[C@H]1C ZINC001236786870 1099782742 /nfs/dbraw/zinc/78/27/42/1099782742.db2.gz FAWRIPOIGATPCJ-ZBFHGGJFSA-N 0 3 319.445 3.366 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(CC)cc2[O-])C[C@H]1C ZINC001236786870 1099782748 /nfs/dbraw/zinc/78/27/48/1099782748.db2.gz FAWRIPOIGATPCJ-ZBFHGGJFSA-N 0 3 319.445 3.366 20 10 DGCDHN CCc1noc([C@H]2CCC[N@H+](Cc3ccc(CC)cc3[O-])C2)n1 ZINC001236792273 1099788638 /nfs/dbraw/zinc/78/86/38/1099788638.db2.gz NISFIZRZFHYIGA-HNNXBMFYSA-N 0 3 315.417 3.280 20 10 DGCDHN CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(CC)cc3[O-])C2)n1 ZINC001236792273 1099788644 /nfs/dbraw/zinc/78/86/44/1099788644.db2.gz NISFIZRZFHYIGA-HNNXBMFYSA-N 0 3 315.417 3.280 20 10 DGCDHN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236810383 1099799336 /nfs/dbraw/zinc/79/93/36/1099799336.db2.gz XCUSUYQWIDJGAA-BEFAXECRSA-N 0 3 319.445 3.348 20 10 DGCDHN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236810383 1099799343 /nfs/dbraw/zinc/79/93/43/1099799343.db2.gz XCUSUYQWIDJGAA-BEFAXECRSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c([O-])c1 ZINC001236814740 1099802292 /nfs/dbraw/zinc/80/22/92/1099802292.db2.gz VQFSZNSRVDGQNN-INIZCTEOSA-N 0 3 312.413 3.311 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2Cc2ccccn2)c([O-])c1 ZINC001236814740 1099802308 /nfs/dbraw/zinc/80/23/08/1099802308.db2.gz VQFSZNSRVDGQNN-INIZCTEOSA-N 0 3 312.413 3.311 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c([O-])c1 ZINC001236817099 1099802891 /nfs/dbraw/zinc/80/28/91/1099802891.db2.gz COCVPFJQBRLPRU-CQSZACIVSA-N 0 3 303.324 3.278 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c([O-])c1 ZINC001236817099 1099802897 /nfs/dbraw/zinc/80/28/97/1099802897.db2.gz COCVPFJQBRLPRU-CQSZACIVSA-N 0 3 303.324 3.278 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833198 1099820574 /nfs/dbraw/zinc/82/05/74/1099820574.db2.gz PQRKYPJSPFZEBQ-MRXNPFEDSA-N 0 3 313.397 3.321 20 10 DGCDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833198 1099820584 /nfs/dbraw/zinc/82/05/84/1099820584.db2.gz PQRKYPJSPFZEBQ-MRXNPFEDSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236835448 1099824193 /nfs/dbraw/zinc/82/41/93/1099824193.db2.gz LXHSARWLLINJFF-AWEZNQCLSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236835448 1099824201 /nfs/dbraw/zinc/82/42/01/1099824201.db2.gz LXHSARWLLINJFF-AWEZNQCLSA-N 0 3 313.397 3.321 20 10 DGCDHN O=C1OCCC12CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236836384 1099824252 /nfs/dbraw/zinc/82/42/52/1099824252.db2.gz HLYROFMOPICEKX-UHFFFAOYSA-N 0 3 311.381 3.075 20 10 DGCDHN Clc1cc(N2CCOCC2)ccc1CN1C[C@H]2CC[C@@H]1C2 ZINC001236918491 1099877263 /nfs/dbraw/zinc/87/72/63/1099877263.db2.gz JJHOQRQRBQXGGT-DZGCQCFKSA-N 0 3 306.837 3.161 20 10 DGCDHN C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236929664 1099879633 /nfs/dbraw/zinc/87/96/33/1099879633.db2.gz RZMDRSUPVLPZCN-AWEZNQCLSA-N 0 3 308.853 3.409 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c([O-])c1 ZINC001237043800 1099941958 /nfs/dbraw/zinc/94/19/58/1099941958.db2.gz CGNVIHVOSFNCGT-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c([O-])c1 ZINC001237043800 1099941965 /nfs/dbraw/zinc/94/19/65/1099941965.db2.gz CGNVIHVOSFNCGT-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049362 1099944179 /nfs/dbraw/zinc/94/41/79/1099944179.db2.gz NTILZKLNIYBTIN-SFHVURJKSA-N 0 3 305.418 3.291 20 10 DGCDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049362 1099944187 /nfs/dbraw/zinc/94/41/87/1099944187.db2.gz NTILZKLNIYBTIN-SFHVURJKSA-N 0 3 305.418 3.291 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c([O-])c1 ZINC001237049945 1099944329 /nfs/dbraw/zinc/94/43/29/1099944329.db2.gz UHSNMAQLVONRJC-UHFFFAOYSA-N 0 3 318.461 3.239 20 10 DGCDHN CCOC(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237052638 1099948650 /nfs/dbraw/zinc/94/86/50/1099948650.db2.gz XPADOTTVQCWIBO-UHFFFAOYSA-N 0 3 305.418 3.291 20 10 DGCDHN COCC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C(C)C ZINC001237111033 1099977684 /nfs/dbraw/zinc/97/76/84/1099977684.db2.gz MKNGXXHYHRJTLQ-UHFFFAOYSA-N 0 3 307.312 3.148 20 10 DGCDHN COCC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C(C)C ZINC001237111033 1099977693 /nfs/dbraw/zinc/97/76/93/1099977693.db2.gz MKNGXXHYHRJTLQ-UHFFFAOYSA-N 0 3 307.312 3.148 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@@]1(C)O ZINC001237138234 1099989200 /nfs/dbraw/zinc/98/92/00/1099989200.db2.gz WCGOFKBJZRUHDL-QMTHXVAHSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@@]1(C)O ZINC001237138234 1099989209 /nfs/dbraw/zinc/98/92/09/1099989209.db2.gz WCGOFKBJZRUHDL-QMTHXVAHSA-N 0 3 303.324 3.004 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001237140669 1099990005 /nfs/dbraw/zinc/99/00/05/1099990005.db2.gz MWYZRXCJDCLYOS-HNNXBMFYSA-N 0 3 315.335 3.414 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001237140669 1099990015 /nfs/dbraw/zinc/99/00/15/1099990015.db2.gz MWYZRXCJDCLYOS-HNNXBMFYSA-N 0 3 315.335 3.414 20 10 DGCDHN CO[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237642052 1100199055 /nfs/dbraw/zinc/19/90/55/1100199055.db2.gz XUJOPZYLCZSGBU-KRWDZBQOSA-N 0 3 301.361 3.419 20 10 DGCDHN CO[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237642052 1100199062 /nfs/dbraw/zinc/19/90/62/1100199062.db2.gz XUJOPZYLCZSGBU-KRWDZBQOSA-N 0 3 301.361 3.419 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001237646984 1100201513 /nfs/dbraw/zinc/20/15/13/1100201513.db2.gz UHTZBGZTZNSXSR-CALCHBBNSA-N 0 3 313.372 3.277 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001237646984 1100201515 /nfs/dbraw/zinc/20/15/15/1100201515.db2.gz UHTZBGZTZNSXSR-CALCHBBNSA-N 0 3 313.372 3.277 20 10 DGCDHN COC(=O)CC[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237650999 1100204895 /nfs/dbraw/zinc/20/48/95/1100204895.db2.gz XWASZNJSHGLNPN-UHFFFAOYSA-N 0 3 317.360 3.193 20 10 DGCDHN COC(=O)CC[N@@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237650999 1100204901 /nfs/dbraw/zinc/20/49/01/1100204901.db2.gz XWASZNJSHGLNPN-UHFFFAOYSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cc(CN2CCC[C@H]2c2cccnc2)c(O)c(OC)c1 ZINC001237674697 1100209601 /nfs/dbraw/zinc/20/96/01/1100209601.db2.gz LOVADWHOOYCWRQ-INIZCTEOSA-N 0 3 314.385 3.142 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1[O-] ZINC001237687453 1100214606 /nfs/dbraw/zinc/21/46/06/1100214606.db2.gz BQHFBQDJTPWUPM-MRXNPFEDSA-N 0 3 309.793 3.026 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1[O-] ZINC001237687453 1100214613 /nfs/dbraw/zinc/21/46/13/1100214613.db2.gz BQHFBQDJTPWUPM-MRXNPFEDSA-N 0 3 309.793 3.026 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCC[C@@]3(CCC(=O)O3)C2)c1O ZINC001237687453 1100214620 /nfs/dbraw/zinc/21/46/20/1100214620.db2.gz BQHFBQDJTPWUPM-MRXNPFEDSA-N 0 3 309.793 3.026 20 10 DGCDHN Cc1nnc(C2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)o1 ZINC001237689194 1100214998 /nfs/dbraw/zinc/21/49/98/1100214998.db2.gz NVQFLOIEGIJOKO-UHFFFAOYSA-N 0 3 321.808 3.425 20 10 DGCDHN Cc1nnc(C2CCN(Cc3cc(Cl)cc(C)c3O)CC2)o1 ZINC001237689194 1100215006 /nfs/dbraw/zinc/21/50/06/1100215006.db2.gz NVQFLOIEGIJOKO-UHFFFAOYSA-N 0 3 321.808 3.425 20 10 DGCDHN COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237687291 1100215169 /nfs/dbraw/zinc/21/51/69/1100215169.db2.gz XCXYMXNKBRUILR-LBPRGKRZSA-N 0 3 311.809 3.129 20 10 DGCDHN COC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237687291 1100215173 /nfs/dbraw/zinc/21/51/73/1100215173.db2.gz XCXYMXNKBRUILR-LBPRGKRZSA-N 0 3 311.809 3.129 20 10 DGCDHN Cc1cc(F)cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC001238058379 1100346593 /nfs/dbraw/zinc/34/65/93/1100346593.db2.gz RFKRBMHIBSKNDP-AWEZNQCLSA-N 0 3 321.314 3.119 20 10 DGCDHN COC(=O)c1cccc(CN(C)Cc2cc(F)cc(C)c2O)c1 ZINC001238069990 1100349984 /nfs/dbraw/zinc/34/99/84/1100349984.db2.gz LWOQTEBORAVEMR-UHFFFAOYSA-N 0 3 317.360 3.258 20 10 DGCDHN CC(C)CCOC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001194899986 1101032745 /nfs/dbraw/zinc/03/27/45/1101032745.db2.gz ACCHLWGXXWJQEW-UHFFFAOYSA-N 0 3 320.433 3.129 20 10 DGCDHN Cc1nc2ccccn2c1CNCc1ccc2c(c1)CCCN2C ZINC001199823363 1102226933 /nfs/dbraw/zinc/22/69/33/1102226933.db2.gz PBAXUDDBMPEELQ-UHFFFAOYSA-N 0 3 320.440 3.315 20 10 DGCDHN CCSC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000691831967 1103835442 /nfs/dbraw/zinc/83/54/42/1103835442.db2.gz OICKRSFNZBDINM-UHFFFAOYSA-N 0 3 301.839 3.430 20 10 DGCDHN O=c1[nH]c2ccccc2cc1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001137188787 1104049916 /nfs/dbraw/zinc/04/99/16/1104049916.db2.gz QHCUDKFQFZWVLZ-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN O=c1[nH]c2ccccc2cc1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001137188787 1104049929 /nfs/dbraw/zinc/04/99/29/1104049929.db2.gz QHCUDKFQFZWVLZ-UHFFFAOYSA-N 0 3 306.365 3.204 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C2CC3(CC3(F)F)C2)c1[O-] ZINC001330355275 1104544210 /nfs/dbraw/zinc/54/42/10/1104544210.db2.gz DAEMXRVSFVOYRH-UHFFFAOYSA-N 0 3 303.736 3.332 20 10 DGCDHN COC[C@@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223309 1105249300 /nfs/dbraw/zinc/24/93/00/1105249300.db2.gz DGZXMGAVDYEILS-CYBMUJFWSA-N 0 3 303.402 3.045 20 10 DGCDHN COC[C@@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223309 1105249301 /nfs/dbraw/zinc/24/93/01/1105249301.db2.gz DGZXMGAVDYEILS-CYBMUJFWSA-N 0 3 303.402 3.045 20 10 DGCDHN COCC[N@H+](Cc1cc(C)c(Br)cc1[O-])C(C)C ZINC001250129157 1105449503 /nfs/dbraw/zinc/44/95/03/1105449503.db2.gz ZHCLPGMOSMFYKV-UHFFFAOYSA-N 0 3 316.239 3.320 20 10 DGCDHN COCC[N@@H+](Cc1cc(C)c(Br)cc1[O-])C(C)C ZINC001250129157 1105449505 /nfs/dbraw/zinc/44/95/05/1105449505.db2.gz ZHCLPGMOSMFYKV-UHFFFAOYSA-N 0 3 316.239 3.320 20 10 DGCDHN COc1ccc(N2CCN(C3CCC(F)(F)CC3)CC2)cc1 ZINC001254216390 1106036576 /nfs/dbraw/zinc/03/65/76/1106036576.db2.gz FVXJCXVCXBJOQQ-UHFFFAOYSA-N 0 3 310.388 3.395 20 10 DGCDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cccc([O-])c2C1 ZINC001254564302 1106105216 /nfs/dbraw/zinc/10/52/16/1106105216.db2.gz KDCXWEFNMUSTQX-ZDUSSCGKSA-N 0 3 312.369 3.290 20 10 DGCDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2cccc([O-])c2C1 ZINC001254564302 1106105220 /nfs/dbraw/zinc/10/52/20/1106105220.db2.gz KDCXWEFNMUSTQX-ZDUSSCGKSA-N 0 3 312.369 3.290 20 10 DGCDHN COc1ccc(N2CCN([C@@H](C)Cc3ccco3)CC2)c(C)c1 ZINC001258197340 1106694273 /nfs/dbraw/zinc/69/42/73/1106694273.db2.gz FUSNPZNTYIAONW-INIZCTEOSA-N 0 3 314.429 3.350 20 10 DGCDHN CCOc1ccc(N2CCN(CCCOC(C)C)CC2)cc1 ZINC001319848402 1108662729 /nfs/dbraw/zinc/66/27/29/1108662729.db2.gz WMHRYWYKZGNMAL-UHFFFAOYSA-N 0 3 306.450 3.022 20 10 DGCDHN CC[C@H](C)[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289599747 1110216328 /nfs/dbraw/zinc/21/63/28/1110216328.db2.gz IHLIBVRCCZFOOB-HDMKZQKVSA-N 0 3 319.493 3.154 20 10 DGCDHN CN(Cc1cccs1)c1ccc(CN2CCN(C)CC2)cc1 ZINC001308557664 1111443797 /nfs/dbraw/zinc/44/37/97/1111443797.db2.gz CUYQFEWKGLDBRC-UHFFFAOYSA-N 0 3 315.486 3.132 20 10 DGCDHN COc1cc(C)c(CN[C@H]2CCOc3ccc(F)cc32)c(O)c1 ZINC001308690888 1111461144 /nfs/dbraw/zinc/46/11/44/1111461144.db2.gz HCOLFWLHZVRWNA-INIZCTEOSA-N 0 3 317.360 3.462 20 10 DGCDHN CCOc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1[O-] ZINC000236947802 202088456 /nfs/dbraw/zinc/08/84/56/202088456.db2.gz DMPVXRBEVXEMPL-UHFFFAOYSA-N 0 3 300.402 3.147 20 10 DGCDHN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000268882302 432147272 /nfs/dbraw/zinc/14/72/72/432147272.db2.gz YBJIGCSGICCDOX-LBPRGKRZSA-N 0 3 322.206 3.045 20 10 DGCDHN Cc1noc([C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)n1 ZINC000060126766 184144576 /nfs/dbraw/zinc/14/45/76/184144576.db2.gz QGBZMMUKBCDERH-AWEZNQCLSA-N 0 3 301.390 3.080 20 10 DGCDHN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)n1 ZINC000060126766 184144579 /nfs/dbraw/zinc/14/45/79/184144579.db2.gz QGBZMMUKBCDERH-AWEZNQCLSA-N 0 3 301.390 3.080 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCSC1 ZINC000278392289 285397606 /nfs/dbraw/zinc/39/76/06/285397606.db2.gz AIXXADAQSIIVRB-GOEBONIOSA-N 0 3 307.459 3.126 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCSC1 ZINC000278392289 285397607 /nfs/dbraw/zinc/39/76/07/285397607.db2.gz AIXXADAQSIIVRB-GOEBONIOSA-N 0 3 307.459 3.126 20 10 DGCDHN C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1[O-] ZINC000183379643 533362817 /nfs/dbraw/zinc/36/28/17/533362817.db2.gz ZJJXPDIEOSLUOR-MRXNPFEDSA-N 0 3 318.461 3.078 20 10 DGCDHN COC[C@H](CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1)OC ZINC000272629791 130048880 /nfs/dbraw/zinc/04/88/80/130048880.db2.gz AONVOYZAEZIICG-ZBFHGGJFSA-N 0 3 324.440 3.128 20 10 DGCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000272659797 130051952 /nfs/dbraw/zinc/05/19/52/130051952.db2.gz RFZCSXFBFXGTMC-ZIAGYGMSSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000272659797 130051954 /nfs/dbraw/zinc/05/19/54/130051954.db2.gz RFZCSXFBFXGTMC-ZIAGYGMSSA-N 0 3 320.433 3.127 20 10 DGCDHN CCOCc1cc(CN[C@@]2(C)CCO[C@@H]2C2CC2)ccc1OC ZINC000273167526 130094399 /nfs/dbraw/zinc/09/43/99/130094399.db2.gz VFRKSPMSIJHTHJ-MOPGFXCFSA-N 0 3 319.445 3.279 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000273343750 130109150 /nfs/dbraw/zinc/10/91/50/130109150.db2.gz AFIGOOHEDGDIKT-MNOVXSKESA-N 0 3 304.394 3.054 20 10 DGCDHN Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000273418002 130119419 /nfs/dbraw/zinc/11/94/19/130119419.db2.gz RHUIQCZAPVKHAQ-HNNXBMFYSA-N 0 3 312.413 3.090 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273449161 130124174 /nfs/dbraw/zinc/12/41/74/130124174.db2.gz FONMVEDPLFZMCT-BBRMVZONSA-N 0 3 303.377 3.094 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c([O-])c1C ZINC000273490565 130127440 /nfs/dbraw/zinc/12/74/40/130127440.db2.gz OEOKPXCUMVNUBG-HZPDHXFCSA-N 0 3 311.429 3.334 20 10 DGCDHN Cc1noc(CCC[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)n1 ZINC000273519236 130132698 /nfs/dbraw/zinc/13/26/98/130132698.db2.gz TXNGISXBTTWDPE-LBPRGKRZSA-N 0 3 315.417 3.246 20 10 DGCDHN COc1ccc(CN[C@H](C)c2cc(C)ccc2O)cc1[N+](=O)[O-] ZINC000273566061 130138952 /nfs/dbraw/zinc/13/89/52/130138952.db2.gz JOZAGZOXHXBENL-GFCCVEGCSA-N 0 3 316.357 3.468 20 10 DGCDHN Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275350889 130308818 /nfs/dbraw/zinc/30/88/18/130308818.db2.gz QOARBKGIYJVRNR-SNVBAGLBSA-N 0 3 324.222 3.345 20 10 DGCDHN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])cc1 ZINC000284113302 131050214 /nfs/dbraw/zinc/05/02/14/131050214.db2.gz NLTAPMWYVQCQRN-KBXCAEBGSA-N 0 3 315.413 3.402 20 10 DGCDHN COCC1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCC1 ZINC000284288715 131066705 /nfs/dbraw/zinc/06/67/05/131066705.db2.gz AYJYTCQHRVMPER-UHFFFAOYSA-N 0 3 314.223 3.122 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287750725 131298379 /nfs/dbraw/zinc/29/83/79/131298379.db2.gz LRDAEMVLKRKVPV-INIZCTEOSA-N 0 3 305.805 3.081 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287750725 131298382 /nfs/dbraw/zinc/29/83/82/131298382.db2.gz LRDAEMVLKRKVPV-INIZCTEOSA-N 0 3 305.805 3.081 20 10 DGCDHN COc1cccc(CNCc2ccc(OCC3CC3)cc2)c1O ZINC000289374991 131379466 /nfs/dbraw/zinc/37/94/66/131379466.db2.gz BPXSQCMIDLUILU-UHFFFAOYSA-N 0 3 313.397 3.479 20 10 DGCDHN COc1cccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)c1[O-] ZINC000289374991 131379468 /nfs/dbraw/zinc/37/94/68/131379468.db2.gz BPXSQCMIDLUILU-UHFFFAOYSA-N 0 3 313.397 3.479 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c1[O-] ZINC000291700830 131593241 /nfs/dbraw/zinc/59/32/41/131593241.db2.gz YYTTYXJGSFLTLG-KRWDZBQOSA-N 0 3 303.427 3.340 20 10 DGCDHN CCc1nn(C)c(OC)c1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000294559019 131844363 /nfs/dbraw/zinc/84/43/63/131844363.db2.gz BIDAOZOMTVRZDZ-ZDUSSCGKSA-N 0 3 317.433 3.164 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc3c(c1)OCCCO3)CC2 ZINC000297916300 132040782 /nfs/dbraw/zinc/04/07/82/132040782.db2.gz WWRQAXRTAFUEHV-OAHLLOKOSA-N 0 3 311.381 3.331 20 10 DGCDHN COc1ccc(OC)c(CC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297918849 132040790 /nfs/dbraw/zinc/04/07/90/132040790.db2.gz XBFGKBCGBSPNTF-INIZCTEOSA-N 0 3 313.397 3.229 20 10 DGCDHN COc1ccccc1CN(CCO)Cc1cc(C)c(C)cc1O ZINC000091790373 400137538 /nfs/dbraw/zinc/13/75/38/400137538.db2.gz UMJSMZOSAYMHEH-UHFFFAOYSA-N 0 3 315.413 3.012 20 10 DGCDHN COc1ccc(O)c(CN[C@@H]2CCOc3c(F)cccc32)c1 ZINC000089726532 401236731 /nfs/dbraw/zinc/23/67/31/401236731.db2.gz FKLNZBCSFJTDGT-OAHLLOKOSA-N 0 3 303.333 3.153 20 10 DGCDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000282317546 287019688 /nfs/dbraw/zinc/01/96/88/287019688.db2.gz NJCQEUYCYHJJKO-IVZQSRNASA-N 0 3 320.502 3.239 20 10 DGCDHN COC[C@H](CCO)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000269011040 432151655 /nfs/dbraw/zinc/15/16/55/432151655.db2.gz MSUJEINPFGLYLH-WMZOPIPTSA-N 0 3 320.477 3.115 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1cccnc1)C[C@@H]1CCCO1 ZINC000172164033 432199431 /nfs/dbraw/zinc/19/94/31/432199431.db2.gz UFCJKIGJVMZHQN-SFHVURJKSA-N 0 3 312.413 3.011 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1cccnc1)C[C@@H]1CCCO1 ZINC000172164033 432199435 /nfs/dbraw/zinc/19/94/35/432199435.db2.gz UFCJKIGJVMZHQN-SFHVURJKSA-N 0 3 312.413 3.011 20 10 DGCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)C1CCCCC1 ZINC000179564789 228352415 /nfs/dbraw/zinc/35/24/15/228352415.db2.gz QZBIKINCTWXFLY-UHFFFAOYSA-N 0 3 316.445 3.053 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185639973 228395198 /nfs/dbraw/zinc/39/51/98/228395198.db2.gz BYAMMANCQGRKRM-UHFFFAOYSA-N 0 3 301.361 3.015 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1C ZINC000151397778 432243928 /nfs/dbraw/zinc/24/39/28/432243928.db2.gz HJFMBJUXUZZOBA-DOTOQJQBSA-N 0 3 307.459 3.153 20 10 DGCDHN COCCCOC1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000172914230 432246107 /nfs/dbraw/zinc/24/61/07/432246107.db2.gz GHQMIOVUELWVPF-UHFFFAOYSA-N 0 3 307.434 3.027 20 10 DGCDHN CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000296161088 276866024 /nfs/dbraw/zinc/86/60/24/276866024.db2.gz XEQDPWJKYRYJGP-IAGOWNOFSA-N 0 3 314.404 3.411 20 10 DGCDHN C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000184292363 277593041 /nfs/dbraw/zinc/59/30/41/277593041.db2.gz WSQMBPDCSKALRN-VFCRVFHLSA-N 0 3 308.491 3.095 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000194374228 277917931 /nfs/dbraw/zinc/91/79/31/277917931.db2.gz OZHAHVUOISOQRU-CQSZACIVSA-N 0 3 323.396 3.437 20 10 DGCDHN CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000155411962 288039236 /nfs/dbraw/zinc/03/92/36/288039236.db2.gz NFJQXTGOQOCQQT-JZXOWHBKSA-N 0 3 320.477 3.322 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1ccccn1)C[C@@H]1CCCO1 ZINC000111232945 431200675 /nfs/dbraw/zinc/20/06/75/431200675.db2.gz MZFNTZPHFUWAEA-SFHVURJKSA-N 0 3 312.413 3.011 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1ccccn1)C[C@@H]1CCCO1 ZINC000111232945 431200679 /nfs/dbraw/zinc/20/06/79/431200679.db2.gz MZFNTZPHFUWAEA-SFHVURJKSA-N 0 3 312.413 3.011 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@H](c2cccs2)N(C)C)c1[O-] ZINC000074336708 431415872 /nfs/dbraw/zinc/41/58/72/431415872.db2.gz JUPFBGZHBVOXRR-CQSZACIVSA-N 0 3 320.458 3.245 20 10 DGCDHN c1cc2c(o1)CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000120781541 431733276 /nfs/dbraw/zinc/73/32/76/431733276.db2.gz GNQRHMABUMRBPU-GOSISDBHSA-N 0 3 312.413 3.283 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000121091813 431743007 /nfs/dbraw/zinc/74/30/07/431743007.db2.gz GVVDJHLHXZTNDB-SJLPKXTDSA-N 0 3 301.386 3.175 20 10 DGCDHN Cc1cc([O-])c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1C ZINC000083630493 431810274 /nfs/dbraw/zinc/81/02/74/431810274.db2.gz MQJOCVKEKAKREK-GOSISDBHSA-N 0 3 319.445 3.169 20 10 DGCDHN CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)c([O-])c1 ZINC000093639400 431915203 /nfs/dbraw/zinc/91/52/03/431915203.db2.gz JFGBYZKUDBPBRK-MAUKXSAKSA-N 0 3 320.477 3.343 20 10 DGCDHN CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)c([O-])c1 ZINC000093639400 431915205 /nfs/dbraw/zinc/91/52/05/431915205.db2.gz JFGBYZKUDBPBRK-MAUKXSAKSA-N 0 3 320.477 3.343 20 10 DGCDHN CCCOc1ccc(CN2CC[C@H](C[NH+](CC)CC)C2)c([O-])c1 ZINC000093693576 431916766 /nfs/dbraw/zinc/91/67/66/431916766.db2.gz NKHAPYJUUSPHGL-MRXNPFEDSA-N 0 3 320.477 3.345 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c([O-])c1 ZINC000101589049 431986421 /nfs/dbraw/zinc/98/64/21/431986421.db2.gz BRBKBMYOEZNMRX-INIZCTEOSA-N 0 3 318.417 3.167 20 10 DGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000061361030 432001192 /nfs/dbraw/zinc/00/11/92/432001192.db2.gz JMSDQKPMJMCBPM-CQSZACIVSA-N 0 3 302.443 3.436 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1[O-] ZINC000183732162 432321161 /nfs/dbraw/zinc/32/11/61/432321161.db2.gz UGNMDSAHXDJNST-ZDUSSCGKSA-N 0 3 312.369 3.200 20 10 DGCDHN C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccccc1[O-] ZINC000183605097 432308192 /nfs/dbraw/zinc/30/81/92/432308192.db2.gz FJGKQEPGSLEOTK-GFCCVEGCSA-N 0 3 313.376 3.311 20 10 DGCDHN C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccccc1[O-] ZINC000183605077 432308610 /nfs/dbraw/zinc/30/86/10/432308610.db2.gz FJGKQEPGSLEOTK-LBPRGKRZSA-N 0 3 313.376 3.311 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1[O-] ZINC000192916067 432428104 /nfs/dbraw/zinc/42/81/04/432428104.db2.gz TUFZVDSMJOJPJR-HOCLYGCPSA-N 0 3 300.402 3.473 20 10 DGCDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc(OC)c1OC ZINC000192936416 432430443 /nfs/dbraw/zinc/43/04/43/432430443.db2.gz ZEWJPXGERDJLBZ-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192933496 432431513 /nfs/dbraw/zinc/43/15/13/432431513.db2.gz PEBPHFNYIUOLCV-GOSISDBHSA-N 0 3 310.441 3.312 20 10 DGCDHN COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184948762 432447231 /nfs/dbraw/zinc/44/72/31/432447231.db2.gz KQTVFQDLGZFMBV-ACJLOTCBSA-N 0 3 301.386 3.093 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000184997634 432454495 /nfs/dbraw/zinc/45/44/95/432454495.db2.gz VMYULVXJILNGIL-GJZGRUSLSA-N 0 3 314.473 3.406 20 10 DGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCCCCO ZINC000193161731 432455794 /nfs/dbraw/zinc/45/57/94/432455794.db2.gz MWVBITVACCPYTD-UHFFFAOYSA-N 0 3 315.413 3.223 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000272183375 432458304 /nfs/dbraw/zinc/45/83/04/432458304.db2.gz KNSVTZPQIHCRBO-APWZRJJASA-N 0 3 310.441 3.392 20 10 DGCDHN COc1ccc(OC)c(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000271711978 432423016 /nfs/dbraw/zinc/42/30/16/432423016.db2.gz ONFIVJMPDRMSSO-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN Cc1cccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000271812872 432425822 /nfs/dbraw/zinc/42/58/22/432425822.db2.gz LFUQUNMLXDNWNP-ZSEKCTLFSA-N 0 3 303.427 3.289 20 10 DGCDHN Cc1cccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000271812865 432426212 /nfs/dbraw/zinc/42/62/12/432426212.db2.gz LFUQUNMLXDNWNP-ASSNKEHSSA-N 0 3 303.427 3.289 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c([O-])c1 ZINC000185251837 432483256 /nfs/dbraw/zinc/48/32/56/432483256.db2.gz VEXRXJAHTUNDHP-OAHLLOKOSA-N 0 3 304.434 3.144 20 10 DGCDHN Cc1nn(C)c(C)c1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185277066 432485550 /nfs/dbraw/zinc/48/55/50/432485550.db2.gz UMAWYLMNXXHWEO-LBPRGKRZSA-N 0 3 313.445 3.472 20 10 DGCDHN Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185277066 432485554 /nfs/dbraw/zinc/48/55/54/432485554.db2.gz UMAWYLMNXXHWEO-LBPRGKRZSA-N 0 3 313.445 3.472 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000185442754 432500243 /nfs/dbraw/zinc/50/02/43/432500243.db2.gz SYNYKVOKXCHIJW-DGCLKSJQSA-N 0 3 324.396 3.191 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000185464527 432501917 /nfs/dbraw/zinc/50/19/17/432501917.db2.gz JCKJCBHTNUODRR-ZBFHGGJFSA-N 0 3 324.424 3.436 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1[O-] ZINC000186136981 432561961 /nfs/dbraw/zinc/56/19/61/432561961.db2.gz ROJDQMRYXHRTCR-NORZTCDRSA-N 0 3 311.422 3.237 20 10 DGCDHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000185658169 432520709 /nfs/dbraw/zinc/52/07/09/432520709.db2.gz IWIUOZRMGAAOGR-CVOVGHTJSA-N 0 3 313.438 3.262 20 10 DGCDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1 ZINC000155086928 432538574 /nfs/dbraw/zinc/53/85/74/432538574.db2.gz KFQUXQSHGHUNLZ-KRWDZBQOSA-N 0 3 321.804 3.052 20 10 DGCDHN COc1cccc(C[NH2+]CCSCc2ccccc2)c1[O-] ZINC000263726975 432569742 /nfs/dbraw/zinc/56/97/42/432569742.db2.gz XILROMBJMJEASH-UHFFFAOYSA-N 0 3 303.427 3.424 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000186456424 432596929 /nfs/dbraw/zinc/59/69/29/432596929.db2.gz UQKUQMBIUXFFSH-IFXJQAMLSA-N 0 3 314.429 3.182 20 10 DGCDHN C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1[O-] ZINC000273460962 432601407 /nfs/dbraw/zinc/60/14/07/432601407.db2.gz CSGYXNRULUVTMA-LLVKDONJSA-N 0 3 304.321 3.333 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000264521902 432655395 /nfs/dbraw/zinc/65/53/95/432655395.db2.gz ADPHQEGOTGKNBN-AWEZNQCLSA-N 0 3 323.440 3.122 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1C ZINC000266170603 432752735 /nfs/dbraw/zinc/75/27/35/432752735.db2.gz BZONYHWYSKQORA-UHFFFAOYSA-N 0 3 316.367 3.125 20 10 DGCDHN Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)n[nH]1 ZINC000275987984 432764505 /nfs/dbraw/zinc/76/45/05/432764505.db2.gz YXIQCJPKBJLABZ-CQSZACIVSA-N 0 3 314.433 3.052 20 10 DGCDHN CCC(O)(CC)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000276377672 432802317 /nfs/dbraw/zinc/80/23/17/432802317.db2.gz LACGQYQWKPTNMO-UHFFFAOYSA-N 0 3 301.814 3.085 20 10 DGCDHN CC[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)NC(=O)OC(C)(C)C ZINC000296571287 432923358 /nfs/dbraw/zinc/92/33/58/432923358.db2.gz SWXIDACTFLHHCO-UONOGXRCSA-N 0 3 320.433 3.272 20 10 DGCDHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000279066344 432931395 /nfs/dbraw/zinc/93/13/95/432931395.db2.gz LJGJOJALNHPAAI-ZDUSSCGKSA-N 0 3 313.401 3.213 20 10 DGCDHN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000279066341 432931435 /nfs/dbraw/zinc/93/14/35/432931435.db2.gz LJGJOJALNHPAAI-CYBMUJFWSA-N 0 3 313.401 3.213 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@@H](C)O)c1[O-] ZINC000279222867 432947530 /nfs/dbraw/zinc/94/75/30/432947530.db2.gz ZCPPEZBLFFJMQR-MNOVXSKESA-N 0 3 316.239 3.275 20 10 DGCDHN O=C1OCCN1c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296331881 432896889 /nfs/dbraw/zinc/89/68/89/432896889.db2.gz GKDZSHGNRAMHHU-INIZCTEOSA-N 0 3 324.380 3.126 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000278745570 432899422 /nfs/dbraw/zinc/89/94/22/432899422.db2.gz RQLYXLWETLXWRK-UHFFFAOYSA-N 0 3 311.425 3.209 20 10 DGCDHN O[C@@H](CNCc1ccc2c(c1)CCO2)c1cc(F)cc(Cl)c1 ZINC000278794293 432901801 /nfs/dbraw/zinc/90/18/01/432901801.db2.gz QWMBNNMHMIUDOT-INIZCTEOSA-N 0 3 321.779 3.237 20 10 DGCDHN CN(CCC[N@H+](C)Cc1cc(F)ccc1[O-])Cc1ccco1 ZINC000289913103 432979318 /nfs/dbraw/zinc/97/93/18/432979318.db2.gz VEEBBYIVNSYFTB-UHFFFAOYSA-N 0 3 306.381 3.078 20 10 DGCDHN CN(CCC[N@@H+](C)Cc1cc(F)ccc1[O-])Cc1ccco1 ZINC000289913103 432979321 /nfs/dbraw/zinc/97/93/21/432979321.db2.gz VEEBBYIVNSYFTB-UHFFFAOYSA-N 0 3 306.381 3.078 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCO[C@]3(CCSC3)C1)CC2 ZINC000297028275 432951157 /nfs/dbraw/zinc/95/11/57/432951157.db2.gz UQHWBLGCCOCYDT-JJRVBVJISA-N 0 3 305.443 3.024 20 10 DGCDHN C[C@@H](CC[NH2+][C@H]1CCc2cccc([O-])c21)NC(=O)OC(C)(C)C ZINC000297126998 432962785 /nfs/dbraw/zinc/96/27/85/432962785.db2.gz YUWSGZFQOUBFCK-JSGCOSHPSA-N 0 3 320.433 3.272 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CO)Cc1c[nH]c3ccccc13)CC2 ZINC000297671381 433006033 /nfs/dbraw/zinc/00/60/33/433006033.db2.gz LAFNGMONCPICRZ-CRAIPNDOSA-N 0 3 322.408 3.054 20 10 DGCDHN CN(C)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000290192248 433008365 /nfs/dbraw/zinc/00/83/65/433008365.db2.gz TUTOIPMMPHJTLV-GOSISDBHSA-N 0 3 314.404 3.153 20 10 DGCDHN COc1ncccc1CC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000290201863 433012008 /nfs/dbraw/zinc/01/20/08/433012008.db2.gz PFHDQWWTKAXKJH-CQSZACIVSA-N 0 3 300.402 3.306 20 10 DGCDHN CC[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000280239236 433020389 /nfs/dbraw/zinc/02/03/89/433020389.db2.gz VWUVIIJXFKJHEB-CQSZACIVSA-N 0 3 308.422 3.266 20 10 DGCDHN CC[C@@H]([NH2+]C1CCN(CCCOC)CC1)c1ccc(C)cc1[O-] ZINC000280282106 433028662 /nfs/dbraw/zinc/02/86/62/433028662.db2.gz YOWBVCIGUYRXBX-GOSISDBHSA-N 0 3 320.477 3.242 20 10 DGCDHN Cc1cccc(CN[C@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000290361480 433037636 /nfs/dbraw/zinc/03/76/36/433037636.db2.gz GVMKJLGCYPYSMY-QGZVFWFLSA-N 0 3 302.393 3.232 20 10 DGCDHN COc1cccc(CN[C@@H]2CCOc3c(F)cccc32)c1O ZINC000372897797 433055586 /nfs/dbraw/zinc/05/55/86/433055586.db2.gz QHOLTQAWAMAEQM-CQSZACIVSA-N 0 3 303.333 3.153 20 10 DGCDHN Cc1cnccc1OC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000373236325 433136925 /nfs/dbraw/zinc/13/69/25/433136925.db2.gz HOLJGWWBKLBASR-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000290841384 433186633 /nfs/dbraw/zinc/18/66/33/433186633.db2.gz IHMFFYXGLYTTHS-CABCVRRESA-N 0 3 315.413 3.484 20 10 DGCDHN CCOc1cccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000290952971 433211911 /nfs/dbraw/zinc/21/19/11/433211911.db2.gz QULHPIITXSCJEE-FUHWJXTLSA-N 0 3 317.429 3.324 20 10 DGCDHN COc1cccc(C[N@H+](C)CCCOCc2ccccc2)c1[O-] ZINC000281337921 433288860 /nfs/dbraw/zinc/28/88/60/433288860.db2.gz SKPCCRZHKGLPQS-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN COc1cccc(C[N@@H+](C)CCCOCc2ccccc2)c1[O-] ZINC000281337921 433288868 /nfs/dbraw/zinc/28/88/68/433288868.db2.gz SKPCCRZHKGLPQS-UHFFFAOYSA-N 0 3 315.413 3.440 20 10 DGCDHN CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291624602 433290801 /nfs/dbraw/zinc/29/08/01/433290801.db2.gz RWOGZJZBIJASHA-AWEZNQCLSA-N 0 3 323.433 3.189 20 10 DGCDHN CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291624602 433290808 /nfs/dbraw/zinc/29/08/08/433290808.db2.gz RWOGZJZBIJASHA-AWEZNQCLSA-N 0 3 323.433 3.189 20 10 DGCDHN C[C@H](NCc1ccc2c(c1)CCO2)[C@H]1OCCc2sccc21 ZINC000291680322 433308219 /nfs/dbraw/zinc/30/82/19/433308219.db2.gz HPGZDZUANTUJAV-KPZWWZAWSA-N 0 3 315.438 3.475 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000292771815 433594218 /nfs/dbraw/zinc/59/42/18/433594218.db2.gz KLYGYVWNSOEMLZ-AWEZNQCLSA-N 0 3 304.340 3.039 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000292695950 433586123 /nfs/dbraw/zinc/58/61/23/433586123.db2.gz BTVQPWWLCWKPCQ-QFYYESIMSA-N 0 3 307.390 3.385 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000292695938 433586368 /nfs/dbraw/zinc/58/63/68/433586368.db2.gz BTVQPWWLCWKPCQ-HWPZZCPQSA-N 0 3 307.390 3.385 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CCC2)C(=O)O1 ZINC000282386011 433588414 /nfs/dbraw/zinc/58/84/14/433588414.db2.gz GIVYFBGWTSNLFZ-MRXNPFEDSA-N 0 3 317.429 3.480 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CCC2)C(=O)O1 ZINC000282386011 433588425 /nfs/dbraw/zinc/58/84/25/433588425.db2.gz GIVYFBGWTSNLFZ-MRXNPFEDSA-N 0 3 317.429 3.480 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1[O-] ZINC000292750957 433590968 /nfs/dbraw/zinc/59/09/68/433590968.db2.gz IKOPTEUGFQNMLM-KRWDZBQOSA-N 0 3 307.434 3.068 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@@H](CO)C2CCCCC2)c1[O-] ZINC000293231990 433663115 /nfs/dbraw/zinc/66/31/15/433663115.db2.gz ZHGARORQPMBADR-INIZCTEOSA-N 0 3 307.434 3.069 20 10 DGCDHN COc1cccc(C[NH2+]CCc2ccc(Cl)c(OC)c2)c1[O-] ZINC000293477438 433752434 /nfs/dbraw/zinc/75/24/34/433752434.db2.gz ROIZMYDQJNICHA-UHFFFAOYSA-N 0 3 321.804 3.395 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c([O-])c1 ZINC000293630677 433806316 /nfs/dbraw/zinc/80/63/16/433806316.db2.gz HNORCKDQGKGDFM-HOTGVXAUSA-N 0 3 307.434 3.245 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000377241876 433851507 /nfs/dbraw/zinc/85/15/07/433851507.db2.gz GSKRYQFVRGZYEX-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1cccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000377241876 433851514 /nfs/dbraw/zinc/85/15/14/433851514.db2.gz GSKRYQFVRGZYEX-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN CC[C@H]([NH2+]CC1(COC)CCOCC1)c1ccc(C)cc1[O-] ZINC000293800387 433871777 /nfs/dbraw/zinc/87/17/77/433871777.db2.gz UXJUCLLILMJCMU-INIZCTEOSA-N 0 3 307.434 3.185 20 10 DGCDHN Cc1nnsc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000293833699 433888959 /nfs/dbraw/zinc/88/89/59/433888959.db2.gz WPIZUXSUXZCUGS-JTQLQIEISA-N 0 3 303.431 3.282 20 10 DGCDHN COc1ncc(CNCc2ccc(N(C)C)cc2)cc1Cl ZINC000294932509 434155824 /nfs/dbraw/zinc/15/58/24/434155824.db2.gz GHCQIZUPPSCBIR-UHFFFAOYSA-N 0 3 305.809 3.099 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000364068497 434220835 /nfs/dbraw/zinc/22/08/35/434220835.db2.gz SQHBRQOVTNJMOE-QZTJIDSGSA-N 0 3 305.418 3.086 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1[O-] ZINC000364345480 434269734 /nfs/dbraw/zinc/26/97/34/434269734.db2.gz DCXLYIHURGBLGO-KSZLIROESA-N 0 3 318.461 3.076 20 10 DGCDHN Cc1ccc([C@@H](C)N[C@@H]2Cc3ccccc3NC2=O)c(O)c1C ZINC000528001398 435018577 /nfs/dbraw/zinc/01/85/77/435018577.db2.gz PWUOJJHLIJFDGB-CXAGYDPISA-N 0 3 310.397 3.223 20 10 DGCDHN Cc1ccc(C[C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)s1 ZINC000080228379 331683906 /nfs/dbraw/zinc/68/39/06/331683906.db2.gz KXXAJUZSUXHFJF-JTQLQIEISA-N 0 3 305.399 3.212 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000185183888 333205130 /nfs/dbraw/zinc/20/51/30/333205130.db2.gz UNQKZDKGQYJESV-CABCVRRESA-N 0 3 312.413 3.056 20 10 DGCDHN Cc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)c1 ZINC000185183939 333205352 /nfs/dbraw/zinc/20/53/52/333205352.db2.gz UNQKZDKGQYJESV-LSDHHAIUSA-N 0 3 312.413 3.056 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2CCSCC2)c1[O-] ZINC000169087336 533953814 /nfs/dbraw/zinc/95/38/14/533953814.db2.gz FACOQIISAAWDGT-UHFFFAOYSA-N 0 3 301.839 3.287 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN(C)Cc2ccccc2)c1 ZINC000185111452 534202746 /nfs/dbraw/zinc/20/27/46/534202746.db2.gz FVDSHGSTAWKKTH-OAHLLOKOSA-N 0 3 314.429 3.183 20 10 DGCDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000189405285 520201711 /nfs/dbraw/zinc/20/17/11/520201711.db2.gz UNHKTURJVCAMSN-HZPDHXFCSA-N 0 3 317.477 3.194 20 10 DGCDHN CC1CCN(c2ccc(CNCC3=CCCOC3)cc2)CC1 ZINC000127164220 521040768 /nfs/dbraw/zinc/04/07/68/521040768.db2.gz QSLNEPJMNCXTIX-UHFFFAOYSA-N 0 3 300.446 3.359 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000183316705 522730345 /nfs/dbraw/zinc/73/03/45/522730345.db2.gz NZTQYPITDRMZCS-PBHICJAKSA-N 0 3 312.413 3.138 20 10 DGCDHN COc1cc(O)c(CN(C)Cc2ccc(C)cc2)cc1OC ZINC000158833127 522774627 /nfs/dbraw/zinc/77/46/27/522774627.db2.gz NUMWTLAZOKAGQV-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1cc([O-])c(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000180045661 522779586 /nfs/dbraw/zinc/77/95/86/522779586.db2.gz BJIIWBUHHPRNQL-UHFFFAOYSA-N 0 3 317.429 3.468 20 10 DGCDHN COc1ccc(CNCc2cccc(OC)c2O)cc1Cl ZINC000132375223 524073180 /nfs/dbraw/zinc/07/31/80/524073180.db2.gz JHPFXRVXZQKOBC-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN Cc1cccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1[O-] ZINC000180629286 524388643 /nfs/dbraw/zinc/38/86/43/524388643.db2.gz OOXJPGUYLWUZIK-GOSISDBHSA-N 0 3 319.445 3.251 20 10 DGCDHN COc1ccc(O)c(CN2CCCC[C@H]2c2cccn2C)c1 ZINC000180638346 524737256 /nfs/dbraw/zinc/73/72/56/524737256.db2.gz KURJHDXNHVEZOG-KRWDZBQOSA-N 0 3 300.402 3.467 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000182410341 524764354 /nfs/dbraw/zinc/76/43/54/524764354.db2.gz YQIGUIKVXOLDKE-DIFFPNOSSA-N 0 3 321.804 3.438 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000186355034 524766393 /nfs/dbraw/zinc/76/63/93/524766393.db2.gz WZEHTVZGWQUYOY-GLFJAGTFSA-N 0 3 317.429 3.399 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1 ZINC000182392189 524770875 /nfs/dbraw/zinc/77/08/75/524770875.db2.gz DMFRLUNHPCCALU-LIRRHRJNSA-N 0 3 315.413 3.402 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000182410324 524773205 /nfs/dbraw/zinc/77/32/05/524773205.db2.gz YQIGUIKVXOLDKE-GTNSWQLSSA-N 0 3 321.804 3.438 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000264932734 525352743 /nfs/dbraw/zinc/35/27/43/525352743.db2.gz BLSCFJZTQUQHKB-ZDUSSCGKSA-N 0 3 310.397 3.436 20 10 DGCDHN Nc1ccc(CC(=O)Nc2cccc(CN3CCCCC3)c2)cc1 ZINC000237925159 527477875 /nfs/dbraw/zinc/47/78/75/527477875.db2.gz ZUEWBOLCBQPEGX-UHFFFAOYSA-N 0 3 323.440 3.436 20 10 DGCDHN CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273406984 535770033 /nfs/dbraw/zinc/77/00/33/535770033.db2.gz OQDCZWJWUZRCOP-AWEZNQCLSA-N 0 3 320.433 3.281 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C)cc1[O-] ZINC000285729119 535932957 /nfs/dbraw/zinc/93/29/57/535932957.db2.gz QSJXPDKUSAVQJG-HDMKZQKVSA-N 0 3 318.461 3.435 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccc3F)C1)OCO2 ZINC000730454897 574529671 /nfs/dbraw/zinc/52/96/71/574529671.db2.gz PNUWEAPSODSWFJ-LBPRGKRZSA-N 0 3 315.344 3.250 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccccc3F)C1)OCO2 ZINC000730454897 574529672 /nfs/dbraw/zinc/52/96/72/574529672.db2.gz PNUWEAPSODSWFJ-LBPRGKRZSA-N 0 3 315.344 3.250 20 10 DGCDHN O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc([O-])cs1 ZINC000732265285 574569223 /nfs/dbraw/zinc/56/92/23/574569223.db2.gz SQTQAINTRRWILY-UHFFFAOYSA-N 0 3 322.474 3.372 20 10 DGCDHN O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cc([O-])cs1 ZINC000732278787 574570587 /nfs/dbraw/zinc/57/05/87/574570587.db2.gz VJDGOJDENQYXNQ-UHFFFAOYSA-N 0 3 322.474 3.228 20 10 DGCDHN COCCOc1ccccc1CNCc1cc(C)ccc1O ZINC000733325365 574615879 /nfs/dbraw/zinc/61/58/79/574615879.db2.gz KGZCDEMFZXLASY-UHFFFAOYSA-N 0 3 301.386 3.016 20 10 DGCDHN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(CC)CC ZINC000736004373 574725661 /nfs/dbraw/zinc/72/56/61/574725661.db2.gz UCRKMZOICVJBMV-SFHVURJKSA-N 0 3 319.493 3.269 20 10 DGCDHN COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(C)c(C)cc1[O-])C2 ZINC000742369421 574993034 /nfs/dbraw/zinc/99/30/34/574993034.db2.gz GKABYCFEQKXHJV-INIZCTEOSA-N 0 3 313.397 3.111 20 10 DGCDHN O=[N+]([O-])c1cc(CN[C@@H]2CCSC2)ccc1N1CCCCC1 ZINC000742383016 574994433 /nfs/dbraw/zinc/99/44/33/574994433.db2.gz RMCHUAJPGXMEAH-CQSZACIVSA-N 0 3 321.446 3.180 20 10 DGCDHN CC(C)(C)c1cc(O)c([O-])c(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000743406682 575049922 /nfs/dbraw/zinc/04/99/22/575049922.db2.gz YOJVONDXJNVEMV-UHFFFAOYSA-N 0 3 319.445 3.398 20 10 DGCDHN CC(C)(C)c1cc(O)c([O-])c(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000743406682 575049924 /nfs/dbraw/zinc/04/99/24/575049924.db2.gz YOJVONDXJNVEMV-UHFFFAOYSA-N 0 3 319.445 3.398 20 10 DGCDHN CC(C)OC(=O)CCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000743841729 575064882 /nfs/dbraw/zinc/06/48/82/575064882.db2.gz UCVQRHQSPYTROH-UHFFFAOYSA-N 0 3 304.434 3.059 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCOC3)C1)CCC2 ZINC000747830251 575545093 /nfs/dbraw/zinc/54/50/93/575545093.db2.gz LQOYOAPASUBCRM-SJORKVTESA-N 0 3 301.430 3.129 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCOC3)C1)CCC2 ZINC000747830251 575545096 /nfs/dbraw/zinc/54/50/96/575545096.db2.gz LQOYOAPASUBCRM-SJORKVTESA-N 0 3 301.430 3.129 20 10 DGCDHN CN(C)c1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000748246290 575575071 /nfs/dbraw/zinc/57/50/71/575575071.db2.gz LRQNPRUHJILZER-QGZVFWFLSA-N 0 3 300.450 3.363 20 10 DGCDHN Cc1ncc(/C=C\C(=O)N(CCN(C)C)c2ccccc2)s1 ZINC000255207207 575839555 /nfs/dbraw/zinc/83/95/55/575839555.db2.gz MSFDLGKZMZRIHR-KTKRTIGZSA-N 0 3 315.442 3.060 20 10 DGCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)CC(F)(F)F ZINC000853096269 620668408 /nfs/dbraw/zinc/66/84/08/620668408.db2.gz VGWAZUNRZYAGLY-UHFFFAOYSA-N 0 3 305.296 3.189 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1CC1CCC1)[C@@H](O)CO2 ZINC000853607796 620715989 /nfs/dbraw/zinc/71/59/89/620715989.db2.gz VXOSWQMKGYYXAY-YJBOKZPZSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1CC1CCC1)[C@@H](O)CO2 ZINC000853607796 620715991 /nfs/dbraw/zinc/71/59/91/620715991.db2.gz VXOSWQMKGYYXAY-YJBOKZPZSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CC1CCC1)[C@@H](O)CO2 ZINC000853607795 620716036 /nfs/dbraw/zinc/71/60/36/620716036.db2.gz VXOSWQMKGYYXAY-QAPCUYQASA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1CC1CCC1)[C@@H](O)CO2 ZINC000853607795 620716038 /nfs/dbraw/zinc/71/60/38/620716038.db2.gz VXOSWQMKGYYXAY-QAPCUYQASA-N 0 3 317.429 3.363 20 10 DGCDHN CN(C)c1ccc([C@H](CNC(=O)CCCC2CC2)N(C)C)cc1 ZINC000891247275 617759709 /nfs/dbraw/zinc/75/97/09/617759709.db2.gz HWCWKLACJCXFTA-SFHVURJKSA-N 0 3 317.477 3.052 20 10 DGCDHN CCN(Cc1cn(CC)nc1C)Cc1ccc(N(C)C)cc1 ZINC000891435671 617798779 /nfs/dbraw/zinc/79/87/79/617798779.db2.gz FYQCXWCDOGBGKN-UHFFFAOYSA-N 0 3 300.450 3.300 20 10 DGCDHN CCSCC[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000892204186 617983988 /nfs/dbraw/zinc/98/39/88/617983988.db2.gz WFXTZHGMTNGIPD-LBPRGKRZSA-N 0 3 313.463 3.373 20 10 DGCDHN CCSCC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000892204186 617983990 /nfs/dbraw/zinc/98/39/90/617983990.db2.gz WFXTZHGMTNGIPD-LBPRGKRZSA-N 0 3 313.463 3.373 20 10 DGCDHN COc1cc(C)cc(CN[C@@H]2CCOc3c(F)cccc32)c1O ZINC000894532687 618373915 /nfs/dbraw/zinc/37/39/15/618373915.db2.gz DNWWKHMAROKJEW-OAHLLOKOSA-N 0 3 317.360 3.462 20 10 DGCDHN CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000894535827 618374836 /nfs/dbraw/zinc/37/48/36/618374836.db2.gz OHQDVSSHOPLLJA-AWEZNQCLSA-N 0 3 323.433 3.189 20 10 DGCDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000894535827 618374841 /nfs/dbraw/zinc/37/48/41/618374841.db2.gz OHQDVSSHOPLLJA-AWEZNQCLSA-N 0 3 323.433 3.189 20 10 DGCDHN COc1cc(C)cc(CN[C@@H](CCO)c2ccccc2F)c1O ZINC000895086831 618533911 /nfs/dbraw/zinc/53/39/11/618533911.db2.gz WMKKCHFICGYRDT-INIZCTEOSA-N 0 3 319.376 3.062 20 10 DGCDHN Cc1ccsc1[C@@H](CO)NCc1ccc(N(C)C)cc1C ZINC000840935204 618609990 /nfs/dbraw/zinc/60/99/90/618609990.db2.gz IGFGMWKDFIAPFQ-MRXNPFEDSA-N 0 3 304.459 3.254 20 10 DGCDHN CC[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1ccccc1[O-] ZINC000925853369 618646432 /nfs/dbraw/zinc/64/64/32/618646432.db2.gz INULGCWVLYLHKD-OCCSQVGLSA-N 0 3 302.340 3.117 20 10 DGCDHN COc1ccc(CN(C)Cc2cc(C)cc(OC)c2O)cc1O ZINC000893972827 618685445 /nfs/dbraw/zinc/68/54/45/618685445.db2.gz FHCUFUKROMOXLU-UHFFFAOYSA-N 0 3 317.385 3.055 20 10 DGCDHN COc1ccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)c([O-])c1 ZINC000894186489 618725982 /nfs/dbraw/zinc/72/59/82/618725982.db2.gz XEKAFJHRQHXCHA-XJKSGUPXSA-N 0 3 313.397 3.130 20 10 DGCDHN COc1cc(C)cc(CNCc2ccc(OC(C)C)nc2)c1O ZINC000894185361 618726032 /nfs/dbraw/zinc/72/60/32/618726032.db2.gz JUWLANMMCVYBRP-UHFFFAOYSA-N 0 3 316.401 3.181 20 10 DGCDHN CCC1([NH+]2CCC2)CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000895827906 618834324 /nfs/dbraw/zinc/83/43/24/618834324.db2.gz OQNQHQNEUYJHGT-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN COCC1CN(Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000895970225 618856266 /nfs/dbraw/zinc/85/62/66/618856266.db2.gz TUDBKFCSKLFNAS-UHFFFAOYSA-N 0 3 316.470 3.463 20 10 DGCDHN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3c(C)cccc3[O-])C2)n1 ZINC000897042934 619007455 /nfs/dbraw/zinc/00/74/55/619007455.db2.gz IKCOCKIUEJNVPX-QWHCGFSZSA-N 0 3 301.390 3.072 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000897269736 619039991 /nfs/dbraw/zinc/03/99/91/619039991.db2.gz OBSFEOREEFVWNX-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000897269736 619039993 /nfs/dbraw/zinc/03/99/93/619039993.db2.gz OBSFEOREEFVWNX-OAHLLOKOSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c1[O-] ZINC000897507930 619141000 /nfs/dbraw/zinc/14/10/00/619141000.db2.gz HRKCJSJCGFYTRM-ZIAGYGMSSA-N 0 3 311.809 3.101 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1[O-] ZINC000897778830 619181332 /nfs/dbraw/zinc/18/13/32/619181332.db2.gz KTLXFJJZIDLVQC-UFRSZFPASA-N 0 3 311.809 3.101 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@H](Cc3nccs3)C2)cc1F ZINC000898070829 619212354 /nfs/dbraw/zinc/21/23/54/619212354.db2.gz ADLYSLSKUAMMLT-CQSZACIVSA-N 0 3 319.449 3.413 20 10 DGCDHN Cc1nc2ccccn2c1CNCc1ccc(N(C)C)cc1C ZINC000898273575 619231316 /nfs/dbraw/zinc/23/13/16/619231316.db2.gz BEXUHIMPKIGLNZ-UHFFFAOYSA-N 0 3 308.429 3.307 20 10 DGCDHN CCO[C@@H](C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-])CN(C)C ZINC000926959538 619252490 /nfs/dbraw/zinc/25/24/90/619252490.db2.gz JRQQXARSCDCGCF-DZGCQCFKSA-N 0 3 314.857 3.053 20 10 DGCDHN CCO[C@@H](C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-])CN(C)C ZINC000926959559 619252586 /nfs/dbraw/zinc/25/25/86/619252586.db2.gz JRQQXARSCDCGCF-ZFWWWQNUSA-N 0 3 314.857 3.053 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)c2c1c(F)ccc2[O-] ZINC000902437012 619635917 /nfs/dbraw/zinc/63/59/17/619635917.db2.gz GHLKTPQPWANSFV-MIBCPZNCSA-N 0 3 312.388 3.294 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c([O-])c1 ZINC000903177887 619730487 /nfs/dbraw/zinc/73/04/87/619730487.db2.gz CBFZSBLVVRDHBP-COPLHBTASA-N 0 3 303.324 3.461 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c([O-])c1 ZINC000903271306 619750007 /nfs/dbraw/zinc/75/00/07/619750007.db2.gz MGXHKJXFNXWGDB-WRWLIDTKSA-N 0 3 311.425 3.444 20 10 DGCDHN CC[C@](O)(CNCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000905034451 619965594 /nfs/dbraw/zinc/96/55/94/619965594.db2.gz KDHXOQLVJIWRIY-HNNXBMFYSA-N 0 3 316.367 3.080 20 10 DGCDHN COc1cc(CN2CCO[C@@H](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000905740813 620025011 /nfs/dbraw/zinc/02/50/11/620025011.db2.gz UVSULIPPFLRORZ-ZDUSSCGKSA-N 0 3 307.434 3.309 20 10 DGCDHN C[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)c1ccccc1O ZINC000913764024 620477909 /nfs/dbraw/zinc/47/79/09/620477909.db2.gz YIAIXOUCIAUWDG-CYBMUJFWSA-N 0 3 323.396 3.487 20 10 DGCDHN COc1cccc(CN(C)Cc2cc(C)cc(OC)c2O)c1 ZINC000915803874 620598198 /nfs/dbraw/zinc/59/81/98/620598198.db2.gz LLYSFAWHVXXFAT-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN CN1CCCc2cc(CNCc3ccnn3C3CCC3)ccc21 ZINC000921626209 620917713 /nfs/dbraw/zinc/91/77/13/620917713.db2.gz ZSQRUCYWPVDYGT-UHFFFAOYSA-N 0 3 310.445 3.280 20 10 DGCDHN CSc1cc(CNCc2ccc3c(c2)CCCO3)ccn1 ZINC000921959684 620973222 /nfs/dbraw/zinc/97/32/22/620973222.db2.gz ISOPTEYRNMGKAH-UHFFFAOYSA-N 0 3 300.427 3.418 20 10 DGCDHN COc1cccc(CNCc2cn(-c3ccccc3)nc2C)c1O ZINC000114217021 620992691 /nfs/dbraw/zinc/99/26/91/620992691.db2.gz QVBFWWSUVHGKJU-UHFFFAOYSA-N 0 3 323.396 3.185 20 10 DGCDHN Cn1ncc2ccc(CNCc3ccc4c(c3)CCCO4)cc21 ZINC000922141338 620994414 /nfs/dbraw/zinc/99/44/14/620994414.db2.gz QCBQXRFUBQAKTF-UHFFFAOYSA-N 0 3 307.397 3.188 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2cc(N(C)C)ccn2)cc1 ZINC000922479925 621044169 /nfs/dbraw/zinc/04/41/69/621044169.db2.gz SRXOECQDNQAJOT-AATRIKPKSA-N 0 3 310.445 3.017 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000922959887 621136952 /nfs/dbraw/zinc/13/69/52/621136952.db2.gz HXXMJWYXJHPKHA-LJQANCHMSA-N 0 3 313.397 3.196 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)NCc2c(C(F)(F)F)cnn2C)c1 ZINC000858452793 621192876 /nfs/dbraw/zinc/19/28/76/621192876.db2.gz OBCCAZNGXOHJCU-SNVBAGLBSA-N 0 3 313.323 3.304 20 10 DGCDHN CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000858505486 621199285 /nfs/dbraw/zinc/19/92/85/621199285.db2.gz LCORRNSTACVUME-SCDSUCTJSA-N 0 3 319.376 3.321 20 10 DGCDHN CC[C@@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000858526940 621201299 /nfs/dbraw/zinc/20/12/99/621201299.db2.gz BPYYMFLKUOGGQX-MJGOQNOKSA-N 0 3 323.440 3.357 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000858527487 621201962 /nfs/dbraw/zinc/20/19/62/621201962.db2.gz HRNYCEWFGBQXBK-IFXJQAMLSA-N 0 3 323.440 3.357 20 10 DGCDHN Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c([O-])c1O ZINC000838279581 621234459 /nfs/dbraw/zinc/23/44/59/621234459.db2.gz KIBHFROOVSOJAY-UHFFFAOYSA-N 0 3 314.385 3.029 20 10 DGCDHN Cc1cc(CCNCc2cnccn2)c(C)n1-c1ccccc1 ZINC000838894683 621300367 /nfs/dbraw/zinc/30/03/67/621300367.db2.gz IRCCXUHQAYBYNQ-UHFFFAOYSA-N 0 3 306.413 3.216 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c1[O-] ZINC000839182839 621343973 /nfs/dbraw/zinc/34/39/73/621343973.db2.gz QILNZRSRYKPBPO-KBPBESRZSA-N 0 3 311.809 3.101 20 10 DGCDHN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000839192856 621347385 /nfs/dbraw/zinc/34/73/85/621347385.db2.gz UGVPZEUYHGBOPR-OLZOCXBDSA-N 0 3 314.223 3.120 20 10 DGCDHN CC[N@H+](CCCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753544853 621447329 /nfs/dbraw/zinc/44/73/29/621447329.db2.gz QJNUSYBCADNRSL-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN CC[N@@H+](CCCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753544853 621447332 /nfs/dbraw/zinc/44/73/32/621447332.db2.gz QJNUSYBCADNRSL-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000753589603 621452305 /nfs/dbraw/zinc/45/23/05/621452305.db2.gz KFQXQKVDLPTODP-HNNXBMFYSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000753589603 621452309 /nfs/dbraw/zinc/45/23/09/621452309.db2.gz KFQXQKVDLPTODP-HNNXBMFYSA-N 0 3 317.360 3.193 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)N1CCCCCC1 ZINC000118783723 621560618 /nfs/dbraw/zinc/56/06/18/621560618.db2.gz DFWOXNOCEJWDML-MRXNPFEDSA-N 0 3 318.461 3.395 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862483605 621593972 /nfs/dbraw/zinc/59/39/72/621593972.db2.gz VGRCYZSFTILKAB-SFHVURJKSA-N 0 3 301.361 3.015 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862483605 621593975 /nfs/dbraw/zinc/59/39/75/621593975.db2.gz VGRCYZSFTILKAB-SFHVURJKSA-N 0 3 301.361 3.015 20 10 DGCDHN CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862488689 621595083 /nfs/dbraw/zinc/59/50/83/621595083.db2.gz OEQOWDBRBAFVGP-AWEZNQCLSA-N 0 3 309.793 3.096 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCc3cc[nH]c(=O)c3C2)c1O ZINC000756138073 621617931 /nfs/dbraw/zinc/61/79/31/621617931.db2.gz NQKICHXSPIQLTH-UHFFFAOYSA-N 0 3 304.777 3.013 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1[O-] ZINC000756138073 621617934 /nfs/dbraw/zinc/61/79/34/621617934.db2.gz NQKICHXSPIQLTH-UHFFFAOYSA-N 0 3 304.777 3.013 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c1[O-] ZINC000756138073 621617935 /nfs/dbraw/zinc/61/79/35/621617935.db2.gz NQKICHXSPIQLTH-UHFFFAOYSA-N 0 3 304.777 3.013 20 10 DGCDHN COc1ccccc1OCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756374204 621632635 /nfs/dbraw/zinc/63/26/35/621632635.db2.gz YWAAHVPSUXUJJW-LBPRGKRZSA-N 0 3 305.349 3.270 20 10 DGCDHN Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756378451 621632953 /nfs/dbraw/zinc/63/29/53/621632953.db2.gz DTIYFVQZWKAVLV-BONVTDFDSA-N 0 3 317.408 3.262 20 10 DGCDHN COc1ncccc1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756394781 621635009 /nfs/dbraw/zinc/63/50/09/621635009.db2.gz YEUODJXHRMOPIF-MFKMUULPSA-N 0 3 302.349 3.273 20 10 DGCDHN COc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)ccn1 ZINC000756402765 621635590 /nfs/dbraw/zinc/63/55/90/621635590.db2.gz YKGBQBNQSJKSHG-GXFFZTMASA-N 0 3 302.349 3.273 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2cccnc2N(C)C)c2c1c(F)ccc2[O-] ZINC000756411425 621636406 /nfs/dbraw/zinc/63/64/06/621636406.db2.gz PWYABHGDRARBPF-FZMZJTMJSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCN2CCC[C@@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756414862 621636913 /nfs/dbraw/zinc/63/69/13/621636913.db2.gz JFBOKUICXUDPBP-IPYPFGDCSA-N 0 3 306.425 3.401 20 10 DGCDHN Cc1nccn1CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756434011 621638366 /nfs/dbraw/zinc/63/83/66/621638366.db2.gz SWALXXVXFWHSDJ-FZMZJTMJSA-N 0 3 303.381 3.264 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756554295 621647687 /nfs/dbraw/zinc/64/76/87/621647687.db2.gz ORSBCTBJVGACRU-ZLDLUXBVSA-N 0 3 304.409 3.154 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)c2c1c(F)ccc2[O-] ZINC000756554290 621647900 /nfs/dbraw/zinc/64/79/00/621647900.db2.gz ORSBCTBJVGACRU-OSAQELSMSA-N 0 3 304.409 3.154 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c2c1c(F)ccc2[O-] ZINC000756606023 621652102 /nfs/dbraw/zinc/65/21/02/621652102.db2.gz KPZAEMYEKBGOKA-GVNHHAEMSA-N 0 3 305.393 3.483 20 10 DGCDHN Cc1cccn2cc(CC[NH2+][C@@H](C)c3cc(F)ccc3[O-])nc12 ZINC000756626793 621653728 /nfs/dbraw/zinc/65/37/28/621653728.db2.gz CJWYYIAZSHPYRT-ZDUSSCGKSA-N 0 3 313.376 3.381 20 10 DGCDHN C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000756712038 621659513 /nfs/dbraw/zinc/65/95/13/621659513.db2.gz PDXRXTFFAZHRRL-GDZNZVCISA-N 0 3 303.377 3.347 20 10 DGCDHN COc1ccccc1[C@H](CO)N[C@H](C)c1ccc(C)cc1O ZINC000756711043 621659857 /nfs/dbraw/zinc/65/98/57/621659857.db2.gz HRDVXVAEHVTGLC-CJNGLKHVSA-N 0 3 301.386 3.093 20 10 DGCDHN CO[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(F)(F)F ZINC000756835478 621667035 /nfs/dbraw/zinc/66/70/35/621667035.db2.gz MTYWDSQPRBUXOH-POZPLHJXSA-N 0 3 307.287 3.247 20 10 DGCDHN [NH3+]C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC[C@H]1C(F)(F)F ZINC000863646293 621693223 /nfs/dbraw/zinc/69/32/23/621693223.db2.gz ISGYFGSFMYOJON-MWLCHTKSSA-N 0 3 322.758 3.005 20 10 DGCDHN C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1 ZINC000839562906 621697254 /nfs/dbraw/zinc/69/72/54/621697254.db2.gz FMIAGCKEWGVREQ-AUUYWEPGSA-N 0 3 323.440 3.357 20 10 DGCDHN C[C@H](NC1COC(C)(C)OC1)c1ccc(N2CCCCC2)cc1 ZINC000757705541 621734861 /nfs/dbraw/zinc/73/48/61/621734861.db2.gz OJJOCWXSXIUCLJ-HNNXBMFYSA-N 0 3 318.461 3.479 20 10 DGCDHN CCOc1ccc(C[NH2+]CCC2CCC(OC)CC2)c([O-])c1 ZINC000757983596 621751008 /nfs/dbraw/zinc/75/10/08/621751008.db2.gz AMWYLLXQAJDSCI-UHFFFAOYSA-N 0 3 307.434 3.476 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000758553769 621788914 /nfs/dbraw/zinc/78/89/14/621788914.db2.gz KGHWHWCNRDRTMW-UHFFFAOYSA-N 0 3 323.396 3.091 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759852589 621897375 /nfs/dbraw/zinc/89/73/75/621897375.db2.gz OWZPEAPXGDKSHX-INIZCTEOSA-N 0 3 309.768 3.350 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759852589 621897376 /nfs/dbraw/zinc/89/73/76/621897376.db2.gz OWZPEAPXGDKSHX-INIZCTEOSA-N 0 3 309.768 3.350 20 10 DGCDHN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000760040454 621912340 /nfs/dbraw/zinc/91/23/40/621912340.db2.gz KHYRGGQCVNAZLB-IXDGSTSKSA-N 0 3 315.388 3.348 20 10 DGCDHN CCOc1ccc(O)c(CNCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000865787012 621995414 /nfs/dbraw/zinc/99/54/14/621995414.db2.gz YDNZRFVWBFYYSK-UHFFFAOYSA-N 0 3 316.357 3.297 20 10 DGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000866416451 622114194 /nfs/dbraw/zinc/11/41/94/622114194.db2.gz WLHZELPKWCVODX-SCTDSRPQSA-N 0 3 311.425 3.427 20 10 DGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000866416452 622114341 /nfs/dbraw/zinc/11/43/41/622114341.db2.gz WLHZELPKWCVODX-ZIFCJYIRSA-N 0 3 311.425 3.427 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nccc32)c2c1c(F)ccc2[O-] ZINC000866634497 622150731 /nfs/dbraw/zinc/15/07/31/622150731.db2.gz ROYHNIAZFLXLCE-KGYLQXTDSA-N 0 3 301.365 3.401 20 10 DGCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000765794503 622287711 /nfs/dbraw/zinc/28/77/11/622287711.db2.gz CTLACDVCANISMH-QZTJIDSGSA-N 0 3 324.424 3.064 20 10 DGCDHN C[C@@H](N[C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765834809 622290414 /nfs/dbraw/zinc/29/04/14/622290414.db2.gz HTKGCIFPXDUGMX-KGLIPLIRSA-N 0 3 324.852 3.006 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000766090538 622305081 /nfs/dbraw/zinc/30/50/81/622305081.db2.gz VIMNBYAPDZRDIG-IRXDYDNUSA-N 0 3 307.434 3.473 20 10 DGCDHN COCCN(Cc1cccs1)Cc1cccc(OC)c1O ZINC000768197600 622444740 /nfs/dbraw/zinc/44/47/40/622444740.db2.gz KYYPIZAGNSNCJP-UHFFFAOYSA-N 0 3 307.415 3.111 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccsc1)[C@H](O)CO2 ZINC000768439701 622456143 /nfs/dbraw/zinc/45/61/43/622456143.db2.gz MRXKUCYNPBEAKL-GDBMZVCRSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccsc1)[C@H](O)CO2 ZINC000768439701 622456144 /nfs/dbraw/zinc/45/61/44/622456144.db2.gz MRXKUCYNPBEAKL-GDBMZVCRSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CC=CCC3)C1)[C@H](O)CO2 ZINC000768445667 622456935 /nfs/dbraw/zinc/45/69/35/622456935.db2.gz GKKVGTDVYQQPGM-IEBWSBKVSA-N 0 3 315.413 3.140 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CC=CCC3)C1)[C@H](O)CO2 ZINC000768445667 622456938 /nfs/dbraw/zinc/45/69/38/622456938.db2.gz GKKVGTDVYQQPGM-IEBWSBKVSA-N 0 3 315.413 3.140 20 10 DGCDHN CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464131 622458195 /nfs/dbraw/zinc/45/81/95/622458195.db2.gz ZYSOYWKFQHXDMQ-YLQAJVPDSA-N 0 3 305.418 3.219 20 10 DGCDHN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464131 622458197 /nfs/dbraw/zinc/45/81/97/622458197.db2.gz ZYSOYWKFQHXDMQ-YLQAJVPDSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768463347 622458231 /nfs/dbraw/zinc/45/82/31/622458231.db2.gz HJJUMHVQEPPADC-CXAGYDPISA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768463347 622458232 /nfs/dbraw/zinc/45/82/32/622458232.db2.gz HJJUMHVQEPPADC-CXAGYDPISA-N 0 3 305.418 3.076 20 10 DGCDHN CCC[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768466504 622458717 /nfs/dbraw/zinc/45/87/17/622458717.db2.gz QWYRYNFBRUWEIA-AEFFLSMTSA-N 0 3 305.418 3.220 20 10 DGCDHN CCC[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768466504 622458718 /nfs/dbraw/zinc/45/87/18/622458718.db2.gz QWYRYNFBRUWEIA-AEFFLSMTSA-N 0 3 305.418 3.220 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CCc2ccccc2OC)c([O-])c1 ZINC000769333255 622518504 /nfs/dbraw/zinc/51/85/04/622518504.db2.gz IKEULQHNNOPBEO-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CCc2ccccc2OC)c([O-])c1 ZINC000769333255 622518505 /nfs/dbraw/zinc/51/85/05/622518505.db2.gz IKEULQHNNOPBEO-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN CCOc1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)c(O)c1 ZINC000769479951 622532462 /nfs/dbraw/zinc/53/24/62/622532462.db2.gz KYQWKCWZLORUCR-UHFFFAOYSA-N 0 3 323.396 3.267 20 10 DGCDHN CCOc1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c([O-])c1 ZINC000769479951 622532466 /nfs/dbraw/zinc/53/24/66/622532466.db2.gz KYQWKCWZLORUCR-UHFFFAOYSA-N 0 3 323.396 3.267 20 10 DGCDHN CN(C)c1ccc(CN(C)CCOc2ccccc2)cc1F ZINC000771928535 622818707 /nfs/dbraw/zinc/81/87/07/622818707.db2.gz ICZBPCXWZQETTB-UHFFFAOYSA-N 0 3 302.393 3.403 20 10 DGCDHN C[C@H](NCc1ccc2oc(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000872123656 622821138 /nfs/dbraw/zinc/82/11/38/622821138.db2.gz SVQYBNJBUUTODE-LBPRGKRZSA-N 0 3 311.385 3.450 20 10 DGCDHN CC[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773105579 622985142 /nfs/dbraw/zinc/98/51/42/622985142.db2.gz HWXYOTQFKKWLIE-OCCSQVGLSA-N 0 3 304.356 3.107 20 10 DGCDHN CCN(C)c1ccc(CN(C)Cc2ccc(O)c(OC)c2)cc1 ZINC000773758800 623068304 /nfs/dbraw/zinc/06/83/04/623068304.db2.gz UJLVUSBBRQKFCQ-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCCCC1 ZINC000774484977 623151272 /nfs/dbraw/zinc/15/12/72/623151272.db2.gz UGSJXXFSQJTSKU-GJZGRUSLSA-N 0 3 317.477 3.241 20 10 DGCDHN C[C@@H](N[C@@H](C)C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000774484976 623151333 /nfs/dbraw/zinc/15/13/33/623151333.db2.gz UGSJXXFSQJTSKU-CABCVRRESA-N 0 3 317.477 3.241 20 10 DGCDHN CCC(CC)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774482086 623151350 /nfs/dbraw/zinc/15/13/50/623151350.db2.gz FOPLVHYOOLXXOX-ZIAGYGMSSA-N 0 3 305.466 3.097 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c([O-])c1 ZINC000775371638 623261255 /nfs/dbraw/zinc/26/12/55/623261255.db2.gz OPBCTTPEDSRACZ-WMZOPIPTSA-N 0 3 307.434 3.474 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CCSC3)c2c1 ZINC000124967562 623264937 /nfs/dbraw/zinc/26/49/37/623264937.db2.gz HVLWKJYMAZIIDM-CYBMUJFWSA-N 0 3 303.427 3.491 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CCSC3)c2c1 ZINC000124967562 623264940 /nfs/dbraw/zinc/26/49/40/623264940.db2.gz HVLWKJYMAZIIDM-CYBMUJFWSA-N 0 3 303.427 3.491 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccccc1[O-] ZINC000775491000 623279654 /nfs/dbraw/zinc/27/96/54/623279654.db2.gz XPTPDACUPFMNOM-PBHICJAKSA-N 0 3 319.376 3.012 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000775488058 623280208 /nfs/dbraw/zinc/28/02/08/623280208.db2.gz GJYJDLJYWWVAMK-MAUKXSAKSA-N 0 3 317.404 3.423 20 10 DGCDHN CC[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1[O-] ZINC000775513885 623283133 /nfs/dbraw/zinc/28/31/33/623283133.db2.gz OCXSXQNCIQRSTM-ZDUSSCGKSA-N 0 3 313.323 3.392 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1[O-] ZINC000775522169 623284104 /nfs/dbraw/zinc/28/41/04/623284104.db2.gz LDLBOTKTEMNQIL-GDBMZVCRSA-N 0 3 305.418 3.161 20 10 DGCDHN CC[C@H](N[C@@H](CO)c1ccccc1OC)c1ccccc1O ZINC000775523095 623284307 /nfs/dbraw/zinc/28/43/07/623284307.db2.gz GFSWFPHYXZYEDK-HOTGVXAUSA-N 0 3 301.386 3.175 20 10 DGCDHN Cc1cccc(CN2CCC[C@H](OCC(F)(F)F)C2)c1O ZINC000775654203 623304517 /nfs/dbraw/zinc/30/45/17/623304517.db2.gz IGPJVJPXORXTFR-ZDUSSCGKSA-N 0 3 303.324 3.244 20 10 DGCDHN Cc1cccc(CN2CCN(Cc3cccc(F)c3)CC2)c1O ZINC000775650391 623305412 /nfs/dbraw/zinc/30/54/12/623305412.db2.gz ZQIHRIMODYIWIZ-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000775690300 623314514 /nfs/dbraw/zinc/31/45/14/623314514.db2.gz PRRMTNODMLLBNR-AAEUAGOBSA-N 0 3 323.742 3.242 20 10 DGCDHN C[C@H](NCC(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775835496 623339893 /nfs/dbraw/zinc/33/98/93/623339893.db2.gz ZXGDQJLTMIODPX-HNNXBMFYSA-N 0 3 311.429 3.066 20 10 DGCDHN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc2c(cc1O)OCO2 ZINC000776012679 623364705 /nfs/dbraw/zinc/36/47/05/623364705.db2.gz IPWVUHSOKOGNNH-ONGXEEELSA-N 0 3 317.307 3.284 20 10 DGCDHN C[C@H](c1ccco1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876571630 623647445 /nfs/dbraw/zinc/64/74/45/623647445.db2.gz BFVRBMWSWIXECS-OAHLLOKOSA-N 0 3 314.429 3.434 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876658288 623672481 /nfs/dbraw/zinc/67/24/81/623672481.db2.gz RRQAOKASFWLAEY-JKSUJKDBSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876658288 623672483 /nfs/dbraw/zinc/67/24/83/623672483.db2.gz RRQAOKASFWLAEY-JKSUJKDBSA-N 0 3 318.461 3.217 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)CO)c1[O-] ZINC000779039953 623723507 /nfs/dbraw/zinc/72/35/07/623723507.db2.gz TWMSXTGUFPAKMX-JTQLQIEISA-N 0 3 316.239 3.132 20 10 DGCDHN COCC1([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779048688 623724748 /nfs/dbraw/zinc/72/47/48/623724748.db2.gz ZQCLCCNZONSGAR-JTQLQIEISA-N 0 3 314.223 3.293 20 10 DGCDHN COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000779106330 623729948 /nfs/dbraw/zinc/72/99/48/623729948.db2.gz NLQTVVRNXMLRAA-SGTLLEGYSA-N 0 3 319.376 3.406 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000876884656 623736240 /nfs/dbraw/zinc/73/62/40/623736240.db2.gz RAZZMBITJYOVMJ-KRWDZBQOSA-N 0 3 302.393 3.232 20 10 DGCDHN COc1cccc([C@H](C[NH2+]Cc2c(C)cccc2[O-])N(C)C)c1 ZINC000876885921 623736632 /nfs/dbraw/zinc/73/66/32/623736632.db2.gz RTKNXQWXPSXEIN-SFHVURJKSA-N 0 3 314.429 3.102 20 10 DGCDHN COc1ccc(CC[NH2+]Cc2ccc(C)cc2[O-])cc1OC ZINC000876894896 623738485 /nfs/dbraw/zinc/73/84/85/623738485.db2.gz YJTWVIYVBWFISR-UHFFFAOYSA-N 0 3 301.386 3.050 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000877017894 623767558 /nfs/dbraw/zinc/76/75/58/623767558.db2.gz WNYWKAKZOUJZGJ-UHFFFAOYSA-N 0 3 308.422 3.047 20 10 DGCDHN COC[C@@H](NCc1ccc(C)cc1O)c1ccc(F)c(F)c1 ZINC000877132889 623799421 /nfs/dbraw/zinc/79/94/21/623799421.db2.gz QFOVTKZWAGFXBG-MRXNPFEDSA-N 0 3 307.340 3.456 20 10 DGCDHN COC[C@H](NCc1ccc(C)cc1O)c1ccc(F)c(F)c1 ZINC000877132888 623799586 /nfs/dbraw/zinc/79/95/86/623799586.db2.gz QFOVTKZWAGFXBG-INIZCTEOSA-N 0 3 307.340 3.456 20 10 DGCDHN Cc1ccc(CN[C@@H](c2nnc3ccccn32)C(C)C)c(O)c1 ZINC000877146811 623807697 /nfs/dbraw/zinc/80/76/97/623807697.db2.gz KUKMWJCGCVOPRK-QGZVFWFLSA-N 0 3 310.401 3.230 20 10 DGCDHN Cc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)c([O-])c1 ZINC000877150696 623808650 /nfs/dbraw/zinc/80/86/50/623808650.db2.gz ZOJSRDZJKFORLE-UHFFFAOYSA-N 0 3 313.376 3.059 20 10 DGCDHN Cc1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)c([O-])c1 ZINC000877308541 623848227 /nfs/dbraw/zinc/84/82/27/623848227.db2.gz VTJXSXZSZQKTFN-UHFFFAOYSA-N 0 3 320.433 3.238 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccnn2CC2CCC2)c1 ZINC000877533042 623928995 /nfs/dbraw/zinc/92/89/95/623928995.db2.gz KBCZQQMCIOSFSN-ZDUSSCGKSA-N 0 3 315.417 3.248 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000877546985 623935696 /nfs/dbraw/zinc/93/56/96/623935696.db2.gz ZUOBYRQGVBDOQL-OAHLLOKOSA-N 0 3 300.377 3.208 20 10 DGCDHN Cc1ccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c([O-])c1 ZINC000877550245 623938544 /nfs/dbraw/zinc/93/85/44/623938544.db2.gz VOZBMFUHONUQIW-UHFFFAOYSA-N 0 3 310.319 3.447 20 10 DGCDHN CC[C@@H](C[NH2+]Cc1c(C)cccc1[O-])NC(=O)OC(C)(C)C ZINC000877561892 623942571 /nfs/dbraw/zinc/94/25/71/623942571.db2.gz MTZFRJHDPZVXSL-ZDUSSCGKSA-N 0 3 308.422 3.094 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000780579096 623954223 /nfs/dbraw/zinc/95/42/23/623954223.db2.gz ZDSLEYZVHPIHME-BXKDBHETSA-N 0 3 314.223 3.442 20 10 DGCDHN COc1cccc([C@@H](C[NH2+]Cc2c(C)cccc2[O-])OC)c1 ZINC000877647170 623976888 /nfs/dbraw/zinc/97/68/88/623976888.db2.gz BDBIWEZEWQHIKT-GOSISDBHSA-N 0 3 301.386 3.187 20 10 DGCDHN COc1cc(F)c(CN[C@@H](C)c2ccccc2O)cc1OC ZINC000877758353 624023876 /nfs/dbraw/zinc/02/38/76/624023876.db2.gz VFZRMASDHYFYNJ-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN C[C@@H]1OCC[C@H]1C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000878240774 624224136 /nfs/dbraw/zinc/22/41/36/624224136.db2.gz KUELRRIMHBBOSV-GJZGRUSLSA-N 0 3 301.386 3.412 20 10 DGCDHN C[C@@H]1OCC[C@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000878240774 624224137 /nfs/dbraw/zinc/22/41/37/624224137.db2.gz KUELRRIMHBBOSV-GJZGRUSLSA-N 0 3 301.386 3.412 20 10 DGCDHN CCOc1ccc(CN[C@H](C)c2ccncc2OC)c(O)c1 ZINC000782543987 624262796 /nfs/dbraw/zinc/26/27/96/624262796.db2.gz BZLKYHJDMSHDAC-GFCCVEGCSA-N 0 3 302.374 3.045 20 10 DGCDHN C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000783244271 624330112 /nfs/dbraw/zinc/33/01/12/624330112.db2.gz FOSUAYNJBVDWKD-WQVCFCJDSA-N 0 3 308.853 3.398 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c([O-])c1 ZINC000784665378 624566379 /nfs/dbraw/zinc/56/63/79/624566379.db2.gz UWXKJTAEBURHHU-SFHVURJKSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c([O-])c1 ZINC000784665371 624567117 /nfs/dbraw/zinc/56/71/17/624567117.db2.gz UWXKJTAEBURHHU-GOSISDBHSA-N 0 3 305.418 3.182 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccccc1)c1ccccc1[O-] ZINC000879648031 624621519 /nfs/dbraw/zinc/62/15/19/624621519.db2.gz WHHKOAACEFWGJB-HUUCEWRRSA-N 0 3 312.413 3.262 20 10 DGCDHN C[C@@H]([NH2+]CCCn1c(=O)[nH]c2ccccc21)c1ccccc1[O-] ZINC000879648602 624621576 /nfs/dbraw/zinc/62/15/76/624621576.db2.gz VRVPXJXFDFDJLE-CYBMUJFWSA-N 0 3 311.385 3.188 20 10 DGCDHN Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648972 624623203 /nfs/dbraw/zinc/62/32/03/624623203.db2.gz IAAKAYJHRGNITA-CVEARBPZSA-N 0 3 315.413 3.100 20 10 DGCDHN COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879650951 624624032 /nfs/dbraw/zinc/62/40/32/624624032.db2.gz ZMVLYLHHLDZVPL-ZDUSSCGKSA-N 0 3 314.385 3.080 20 10 DGCDHN C[C@H]([NH2+]CCC(=O)N1CCCc2ccccc21)c1ccccc1[O-] ZINC000879650934 624624115 /nfs/dbraw/zinc/62/41/15/624624115.db2.gz YMBAKIOQFJFVGE-HNNXBMFYSA-N 0 3 324.424 3.412 20 10 DGCDHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652831 624626384 /nfs/dbraw/zinc/62/63/84/624626384.db2.gz ITBYCNKAXDQJPK-RRFJBIMHSA-N 0 3 304.434 3.222 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ccccc1[O-] ZINC000879652397 624626603 /nfs/dbraw/zinc/62/66/03/624626603.db2.gz COUGPMPODFGINX-GJZGRUSLSA-N 0 3 324.424 3.411 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCc2ccccc2C1 ZINC000879652376 624626612 /nfs/dbraw/zinc/62/66/12/624626612.db2.gz ZMQJLCVOWTUUQA-LSDHHAIUSA-N 0 3 324.424 3.016 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1[O-] ZINC000785990240 624775350 /nfs/dbraw/zinc/77/53/50/624775350.db2.gz ZXSUXVHEJCUVAE-MISXGVKJSA-N 0 3 313.825 3.036 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1[O-] ZINC000785990240 624775353 /nfs/dbraw/zinc/77/53/53/624775353.db2.gz ZXSUXVHEJCUVAE-MISXGVKJSA-N 0 3 313.825 3.036 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@H](C(=O)OC)[C@H]2C)cc1F ZINC000787420454 625008566 /nfs/dbraw/zinc/00/85/66/625008566.db2.gz HGQURIYVOLZGKA-UKRRQHHQSA-N 0 3 322.424 3.055 20 10 DGCDHN CCN1CCC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790961958 625723778 /nfs/dbraw/zinc/72/37/78/625723778.db2.gz FTCQARUBTIVHIR-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccc2oc(=O)oc2c1 ZINC000883003254 625893679 /nfs/dbraw/zinc/89/36/79/625893679.db2.gz GLTGEBCCPVSBQQ-UHFFFAOYSA-N 0 3 312.369 3.050 20 10 DGCDHN COc1ccc(N2CC[C@@H](NCc3ccc(SC)o3)C2)cc1 ZINC000883166091 625949897 /nfs/dbraw/zinc/94/98/97/625949897.db2.gz RXXJTUBGNHKHRR-CYBMUJFWSA-N 0 3 318.442 3.379 20 10 DGCDHN CC(C)CC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000796448945 626050812 /nfs/dbraw/zinc/05/08/12/626050812.db2.gz KVEONPYLSXVPHK-MSOLQXFVSA-N 0 3 321.461 3.170 20 10 DGCDHN CC(C)CC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000796448945 626050813 /nfs/dbraw/zinc/05/08/13/626050813.db2.gz KVEONPYLSXVPHK-MSOLQXFVSA-N 0 3 321.461 3.170 20 10 DGCDHN CCC[N@@H+]1CCC[C@H]1CNCc1c([O-])ccc(Cl)c1F ZINC000796520951 626058446 /nfs/dbraw/zinc/05/84/46/626058446.db2.gz MWUUGPCWGLQSHM-NSHDSACASA-N 0 3 300.805 3.149 20 10 DGCDHN CCC[N@H+]1CCC[C@H]1CNCc1c([O-])ccc(Cl)c1F ZINC000796520951 626058448 /nfs/dbraw/zinc/05/84/48/626058448.db2.gz MWUUGPCWGLQSHM-NSHDSACASA-N 0 3 300.805 3.149 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccccc1[O-] ZINC000797132154 626116701 /nfs/dbraw/zinc/11/67/01/626116701.db2.gz KQPPVOSFQDDIGI-ZSEKCTLFSA-N 0 3 303.427 3.122 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801530263 626407975 /nfs/dbraw/zinc/40/79/75/626407975.db2.gz ZVZFEGZICFDGNK-JTQLQIEISA-N 0 3 320.320 3.299 20 10 DGCDHN FC(F)O[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000802658823 626565927 /nfs/dbraw/zinc/56/59/27/626565927.db2.gz RDCOUYSNNRFHAQ-INIZCTEOSA-N 0 3 310.388 3.490 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(C)cc1[O-] ZINC000883275971 626632930 /nfs/dbraw/zinc/63/29/30/626632930.db2.gz DFTRZMVMVAGEEB-WBVHZDCISA-N 0 3 303.402 3.186 20 10 DGCDHN Cc1cc(O)c(CN2CCC3(C2)Oc2ccccc2O3)cc1C ZINC000808238903 626807904 /nfs/dbraw/zinc/80/79/04/626807904.db2.gz PPSLVLUPRHWTCO-UHFFFAOYSA-N 0 3 311.381 3.382 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)c1[O-] ZINC000808694481 626850674 /nfs/dbraw/zinc/85/06/74/626850674.db2.gz DGNFAYRIJUZWCN-SNVBAGLBSA-N 0 3 324.774 3.499 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1[O-] ZINC000808708570 626852674 /nfs/dbraw/zinc/85/26/74/626852674.db2.gz NHHFOJZAXVZSFM-QPUJVOFHSA-N 0 3 311.731 3.318 20 10 DGCDHN CCn1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1=O ZINC000808716394 626852962 /nfs/dbraw/zinc/85/29/62/626852962.db2.gz NGIQXQAWEWBAQM-GFCCVEGCSA-N 0 3 320.820 3.386 20 10 DGCDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808713999 626853155 /nfs/dbraw/zinc/85/31/55/626853155.db2.gz LHXRQHLHHWJTNS-BYCMXARLSA-N 0 3 313.825 3.199 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1[O-] ZINC000808715531 626853353 /nfs/dbraw/zinc/85/33/53/626853353.db2.gz VLILYIHOQWRABP-DGCLKSJQSA-N 0 3 305.809 3.216 20 10 DGCDHN C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1[O-] ZINC000808728061 626854355 /nfs/dbraw/zinc/85/43/55/626854355.db2.gz MMBXTNQVGZSORP-IINYFYTJSA-N 0 3 305.324 3.325 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c([O-])c1 ZINC000808729424 626855118 /nfs/dbraw/zinc/85/51/18/626855118.db2.gz JOCFFKFSUHESMU-IUODEOHRSA-N 0 3 301.361 3.494 20 10 DGCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Cl)cc(C)c1[O-] ZINC000809698528 626937879 /nfs/dbraw/zinc/93/78/79/626937879.db2.gz ZLHXRWJOPZGNSC-KWEIWBAHSA-N 0 3 307.821 3.209 20 10 DGCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(Cl)cc(C)c1[O-] ZINC000809698528 626937880 /nfs/dbraw/zinc/93/78/80/626937880.db2.gz ZLHXRWJOPZGNSC-KWEIWBAHSA-N 0 3 307.821 3.209 20 10 DGCDHN CCCNC(=O)OC[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC000809726867 626942340 /nfs/dbraw/zinc/94/23/40/626942340.db2.gz WOGOCWRJJIQKMH-OAHLLOKOSA-N 0 3 324.396 3.022 20 10 DGCDHN CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000809726867 626942341 /nfs/dbraw/zinc/94/23/41/626942341.db2.gz WOGOCWRJJIQKMH-OAHLLOKOSA-N 0 3 324.396 3.022 20 10 DGCDHN CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000809726867 626942343 /nfs/dbraw/zinc/94/23/43/626942343.db2.gz WOGOCWRJJIQKMH-OAHLLOKOSA-N 0 3 324.396 3.022 20 10 DGCDHN COc1ccc2oc(CNCc3cccc(OC)c3O)cc2c1 ZINC000809739248 626943991 /nfs/dbraw/zinc/94/39/91/626943991.db2.gz CHYFAUHLPBOONJ-UHFFFAOYSA-N 0 3 313.353 3.445 20 10 DGCDHN CCCn1ccnc1CCC[N@H+](C)Cc1c([O-])cccc1OC ZINC000809754790 626947741 /nfs/dbraw/zinc/94/77/41/626947741.db2.gz BBQITLAMURJWHC-UHFFFAOYSA-N 0 3 317.433 3.072 20 10 DGCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1c([O-])cccc1OC ZINC000809754790 626947744 /nfs/dbraw/zinc/94/77/44/626947744.db2.gz BBQITLAMURJWHC-UHFFFAOYSA-N 0 3 317.433 3.072 20 10 DGCDHN CCCC[N@H+](C)C[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000810163375 626983192 /nfs/dbraw/zinc/98/31/92/626983192.db2.gz RSISFGRFHRFYOR-LLVKDONJSA-N 0 3 302.821 3.395 20 10 DGCDHN CCCC[N@@H+](C)C[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000810163375 626983195 /nfs/dbraw/zinc/98/31/95/626983195.db2.gz RSISFGRFHRFYOR-LLVKDONJSA-N 0 3 302.821 3.395 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@@](C)(O)C(F)F ZINC000885940544 627065174 /nfs/dbraw/zinc/06/51/74/627065174.db2.gz MAZIUVFKHZZODO-QGZVFWFLSA-N 0 3 312.404 3.125 20 10 DGCDHN COc1ccc(N2CC[C@H](NCc3ccc(Cl)cn3)C2)cc1 ZINC000886155652 627114353 /nfs/dbraw/zinc/11/43/53/627114353.db2.gz LGHXCBLNVYZPKB-HNNXBMFYSA-N 0 3 317.820 3.112 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(C)CCOC2(CCC2)C1 ZINC000886344813 627141069 /nfs/dbraw/zinc/14/10/69/627141069.db2.gz LSVOESVAXPPVDW-QGZVFWFLSA-N 0 3 305.418 3.230 20 10 DGCDHN CC(C)(NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1F ZINC000886350447 627141449 /nfs/dbraw/zinc/14/14/49/627141449.db2.gz VAZSXWGXIFOQDV-UHFFFAOYSA-N 0 3 321.323 3.424 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1ccccc1[O-] ZINC000886772225 627203352 /nfs/dbraw/zinc/20/33/52/627203352.db2.gz VMCZSGACFBXPFK-OKVDMCGNSA-N 0 3 319.445 3.406 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([O-])c1 ZINC000811510348 627285017 /nfs/dbraw/zinc/28/50/17/627285017.db2.gz CWLZGXJRXRSPDZ-SJORKVTESA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([O-])c1 ZINC000811510348 627285020 /nfs/dbraw/zinc/28/50/20/627285020.db2.gz CWLZGXJRXRSPDZ-SJORKVTESA-N 0 3 305.418 3.180 20 10 DGCDHN CN(C)c1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1F ZINC000814178220 627547189 /nfs/dbraw/zinc/54/71/89/627547189.db2.gz HUURNVMDUGRNTM-INIZCTEOSA-N 0 3 306.425 3.140 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CC[C@H](C)F)c1[O-] ZINC000815148988 627637747 /nfs/dbraw/zinc/63/77/47/627637747.db2.gz SZEUYHDCHHJCIH-QMMMGPOBSA-N 0 3 306.175 3.001 20 10 DGCDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611921 627814401 /nfs/dbraw/zinc/81/44/01/627814401.db2.gz AJFHRZIIZQOHTK-XHDPSFHLSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611921 627814402 /nfs/dbraw/zinc/81/44/02/627814402.db2.gz AJFHRZIIZQOHTK-XHDPSFHLSA-N 0 3 312.816 3.101 20 10 DGCDHN CN1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641894 627818262 /nfs/dbraw/zinc/81/82/62/627818262.db2.gz JIORZSLGNVWWKD-MRXNPFEDSA-N 0 3 312.816 3.102 20 10 DGCDHN CN1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641894 627818264 /nfs/dbraw/zinc/81/82/64/627818264.db2.gz JIORZSLGNVWWKD-MRXNPFEDSA-N 0 3 312.816 3.102 20 10 DGCDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC000817412429 627896357 /nfs/dbraw/zinc/89/63/57/627896357.db2.gz KYLFNLAHHLOWRH-ZFWWWQNUSA-N 0 3 305.418 3.334 20 10 DGCDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC000817412429 627896360 /nfs/dbraw/zinc/89/63/60/627896360.db2.gz KYLFNLAHHLOWRH-ZFWWWQNUSA-N 0 3 305.418 3.334 20 10 DGCDHN COc1cc([C@H](C)N[C@@H](C)Cc2ccc(N(C)C)cc2C)on1 ZINC000926595216 627919792 /nfs/dbraw/zinc/91/97/92/627919792.db2.gz HHTMVBXPGSIQKY-KBPBESRZSA-N 0 3 317.433 3.339 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969550 627979125 /nfs/dbraw/zinc/97/91/25/627979125.db2.gz WXABKQFQVYRFHT-VYUIOLGVSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969550 627979129 /nfs/dbraw/zinc/97/91/29/627979129.db2.gz WXABKQFQVYRFHT-VYUIOLGVSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970789 627980100 /nfs/dbraw/zinc/98/01/00/627980100.db2.gz FGLPYRMPUWVQGA-VDDIYKPWSA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817971804 627980236 /nfs/dbraw/zinc/98/02/36/627980236.db2.gz QDQJFYTXGFMRHY-KXUCPTDWSA-N 0 3 303.233 3.490 20 10 DGCDHN Cc1ccc([C@H](C)NCc2cc(C(F)(F)F)nn2C)c(O)c1 ZINC000926929325 627984214 /nfs/dbraw/zinc/98/42/14/627984214.db2.gz UVZOEYBNHHEJSB-JTQLQIEISA-N 0 3 313.323 3.304 20 10 DGCDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3nccs3)C2)cc1 ZINC000818343224 628015540 /nfs/dbraw/zinc/01/55/40/628015540.db2.gz ZRHUJVOSQBDAIY-ZIAGYGMSSA-N 0 3 317.458 3.329 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c(C)c1OC ZINC000927121114 628020904 /nfs/dbraw/zinc/02/09/04/628020904.db2.gz CILVKNZZUQWIRI-HNNXBMFYSA-N 0 3 313.397 3.495 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821392500 628363204 /nfs/dbraw/zinc/36/32/04/628363204.db2.gz ZYNLLCBCRUHMJX-OAHLLOKOSA-N 0 3 318.461 3.109 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821392500 628363205 /nfs/dbraw/zinc/36/32/05/628363205.db2.gz ZYNLLCBCRUHMJX-OAHLLOKOSA-N 0 3 318.461 3.109 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccccc1[O-] ZINC000825328131 628750498 /nfs/dbraw/zinc/75/04/98/628750498.db2.gz YMYXRSXRPADSSO-KMFMINBZSA-N 0 3 315.417 3.087 20 10 DGCDHN Cc1nccn1CCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825928250 628810970 /nfs/dbraw/zinc/81/09/70/628810970.db2.gz PFOZKDAKKVVQJU-UHFFFAOYSA-N 0 3 307.825 3.381 20 10 DGCDHN Cc1nccn1CCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825928250 628810971 /nfs/dbraw/zinc/81/09/71/628810971.db2.gz PFOZKDAKKVVQJU-UHFFFAOYSA-N 0 3 307.825 3.381 20 10 DGCDHN COc1cc(CN2CC3(C2)CCOCC3)c(O)c(C(C)(C)C)c1 ZINC000826113092 628829599 /nfs/dbraw/zinc/82/95/99/628829599.db2.gz IBYKWAJBPJLVKS-UHFFFAOYSA-N 0 3 319.445 3.311 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC000827640357 628979007 /nfs/dbraw/zinc/97/90/07/628979007.db2.gz VWMRJDASJWJJSM-GOSISDBHSA-N 0 3 313.397 3.444 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC000827640357 628979009 /nfs/dbraw/zinc/97/90/09/628979009.db2.gz VWMRJDASJWJJSM-GOSISDBHSA-N 0 3 313.397 3.444 20 10 DGCDHN CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000827750527 628988090 /nfs/dbraw/zinc/98/80/90/628988090.db2.gz IPDSLTVUSLSLKQ-FUHWJXTLSA-N 0 3 321.417 3.002 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CNC2 ZINC000828144571 629027546 /nfs/dbraw/zinc/02/75/46/629027546.db2.gz GBYZCPBFMPHQGV-UHFFFAOYSA-N 0 3 310.397 3.048 20 10 DGCDHN CC(C)c1noc(CCC[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000834558204 629728550 /nfs/dbraw/zinc/72/85/50/629728550.db2.gz BUISUPKOCOQAKA-ZDUSSCGKSA-N 0 3 301.390 3.108 20 10 DGCDHN CN(CC[NH2+][C@H]1CCc2cccc([O-])c21)Cc1ccc(F)cc1 ZINC000834616255 629740625 /nfs/dbraw/zinc/74/06/25/629740625.db2.gz MSTSHDFQAWAIEQ-KRWDZBQOSA-N 0 3 314.404 3.240 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOc1ccc(F)c(F)c1)CC2 ZINC000834639785 629745410 /nfs/dbraw/zinc/74/54/10/629745410.db2.gz BJCQPNWTRHSUEQ-OAHLLOKOSA-N 0 3 305.324 3.326 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)CC2 ZINC000834668805 629752433 /nfs/dbraw/zinc/75/24/33/629752433.db2.gz OBXMJKXZIBPUNL-GOEBONIOSA-N 0 3 303.789 3.356 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H]1COc3ccccc3O1)CC2 ZINC000834685512 629757416 /nfs/dbraw/zinc/75/74/16/629757416.db2.gz YNXJNBFIANJURI-GJZGRUSLSA-N 0 3 311.381 3.199 20 10 DGCDHN Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CCc3cccc([O-])c32)cc1C ZINC000834910139 629806980 /nfs/dbraw/zinc/80/69/80/629806980.db2.gz FRFVTJLHHOOLIW-ROUUACIJSA-N 0 3 311.425 3.190 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000835038909 629830978 /nfs/dbraw/zinc/83/09/78/629830978.db2.gz ZKEATWMGWUGNCX-MNVMYWNISA-N 0 3 308.425 3.014 20 10 DGCDHN CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000835042045 629833032 /nfs/dbraw/zinc/83/30/32/629833032.db2.gz QJTPLVSVVJDIEX-WHJWBVKISA-N 0 3 316.367 3.057 20 10 DGCDHN C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1ccccc1[O-] ZINC000840862782 630369122 /nfs/dbraw/zinc/36/91/22/630369122.db2.gz IEXGTHVADSGDEB-DZGCQCFKSA-N 0 3 314.385 3.163 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000840895034 630373862 /nfs/dbraw/zinc/37/38/62/630373862.db2.gz UXDAOZGPAHJPGV-CABCVRRESA-N 0 3 300.450 3.076 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN(C)[C@@H]1CCCc2c1cnn2C ZINC000840918411 630378251 /nfs/dbraw/zinc/37/82/51/630378251.db2.gz GKMSMHFHGBPZOP-GOSISDBHSA-N 0 3 312.461 3.304 20 10 DGCDHN CCCN1CCN(c2ccccc2CNc2ccc(N)cc2)CC1 ZINC000841040110 630400618 /nfs/dbraw/zinc/40/06/18/630400618.db2.gz IRJAMHDDXMHDGZ-UHFFFAOYSA-N 0 3 324.472 3.413 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2NCCc3ccccc32)c(Cl)c1 ZINC000841066745 630403653 /nfs/dbraw/zinc/40/36/53/630403653.db2.gz GIZSJNMBOUZVSH-QGZVFWFLSA-N 0 3 316.832 3.331 20 10 DGCDHN CO[C@H](CC(C)C)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000842151531 630498922 /nfs/dbraw/zinc/49/89/22/630498922.db2.gz CAIRSNLPGXEIHU-QZTJIDSGSA-N 0 3 321.461 3.434 20 10 DGCDHN CO[C@H](CC(C)C)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000842151531 630498925 /nfs/dbraw/zinc/49/89/25/630498925.db2.gz CAIRSNLPGXEIHU-QZTJIDSGSA-N 0 3 321.461 3.434 20 10 DGCDHN COc1cc(CN2C[C@H](C)OC3(CCCC3)C2)c(O)cc1C ZINC000842644222 630557508 /nfs/dbraw/zinc/55/75/08/630557508.db2.gz DUXVQVZGLUQYKO-AWEZNQCLSA-N 0 3 305.418 3.243 20 10 DGCDHN Cc1ccc(-c2nn(C)cc2CNCc2ccc(N(C)C)cc2)o1 ZINC000842660504 630559110 /nfs/dbraw/zinc/55/91/10/630559110.db2.gz KWQXVYQPLLYVON-UHFFFAOYSA-N 0 3 324.428 3.344 20 10 DGCDHN CC[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000842885325 630589608 /nfs/dbraw/zinc/58/96/08/630589608.db2.gz NCNBUVBGKICEJV-IRXDYDNUSA-N 0 3 317.477 3.193 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045987 630608566 /nfs/dbraw/zinc/60/85/66/630608566.db2.gz SACSSDKKCSADLR-CJNGLKHVSA-N 0 3 308.853 3.318 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC000843416749 630654188 /nfs/dbraw/zinc/65/41/88/630654188.db2.gz VWMRJDASJWJJSM-SFHVURJKSA-N 0 3 313.397 3.444 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC000843416749 630654192 /nfs/dbraw/zinc/65/41/92/630654192.db2.gz VWMRJDASJWJJSM-SFHVURJKSA-N 0 3 313.397 3.444 20 10 DGCDHN Oc1ccccc1CN(Cc1cc2n(n1)CCC2)C1CCCC1 ZINC000844297889 630716576 /nfs/dbraw/zinc/71/65/76/630716576.db2.gz UNSDJYDMDOMIHA-UHFFFAOYSA-N 0 3 311.429 3.480 20 10 DGCDHN Cc1nnsc1CN(Cc1ccccc1O)C1CCCC1 ZINC000844296382 630716614 /nfs/dbraw/zinc/71/66/14/630716614.db2.gz IVIKJEUPYXKTQD-UHFFFAOYSA-N 0 3 303.431 3.497 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000844904288 630973025 /nfs/dbraw/zinc/97/30/25/630973025.db2.gz GVOVLUZLVDWFQX-HNNXBMFYSA-N 0 3 312.413 3.307 20 10 DGCDHN CC(C)C[N@H+](C)CCCNCc1cc(Cl)cc(F)c1[O-] ZINC000845995828 631205090 /nfs/dbraw/zinc/20/50/90/631205090.db2.gz HDTLPPBSWIHMNV-UHFFFAOYSA-N 0 3 302.821 3.252 20 10 DGCDHN CC(C)C[N@@H+](C)CCCNCc1cc(Cl)cc(F)c1[O-] ZINC000845995828 631205091 /nfs/dbraw/zinc/20/50/91/631205091.db2.gz HDTLPPBSWIHMNV-UHFFFAOYSA-N 0 3 302.821 3.252 20 10 DGCDHN C[C@H](CCO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846110736 631210180 /nfs/dbraw/zinc/21/01/80/631210180.db2.gz KOFLYDLHSHEDIH-OAHLLOKOSA-N 0 3 315.413 3.174 20 10 DGCDHN C[C@H](CCO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846110736 631210181 /nfs/dbraw/zinc/21/01/81/631210181.db2.gz KOFLYDLHSHEDIH-OAHLLOKOSA-N 0 3 315.413 3.174 20 10 DGCDHN CCOc1ncccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846139043 631211376 /nfs/dbraw/zinc/21/13/76/631211376.db2.gz OQTQUFDIZZVJKF-LBPRGKRZSA-N 0 3 302.374 3.045 20 10 DGCDHN COc1cccc([C@@H](C)NCc2cccc(OC)c2OC)c1O ZINC000846140910 631211678 /nfs/dbraw/zinc/21/16/78/631211678.db2.gz IUAWYTJIQGLGTI-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN COc1cccc([C@H](C)NCc2nc3cc(C)ccc3[nH]2)c1O ZINC000846149414 631212351 /nfs/dbraw/zinc/21/23/51/631212351.db2.gz ZABPAJKOMKUCNV-LBPRGKRZSA-N 0 3 311.385 3.436 20 10 DGCDHN COc1cccc([C@H](C)NCc2nc3ccc(C)cc3[nH]2)c1O ZINC000846149414 631212352 /nfs/dbraw/zinc/21/23/52/631212352.db2.gz ZABPAJKOMKUCNV-LBPRGKRZSA-N 0 3 311.385 3.436 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCSC)c1[O-] ZINC000848513047 631673047 /nfs/dbraw/zinc/67/30/47/631673047.db2.gz COEPBJKDZBAYCN-QMMMGPOBSA-N 0 3 320.252 3.177 20 10 DGCDHN CCOc1cccc(CNCc2cccc(C)c2OC)c1O ZINC000848562440 631693932 /nfs/dbraw/zinc/69/39/32/631693932.db2.gz DIRVNIYEIIHQLQ-UHFFFAOYSA-N 0 3 301.386 3.398 20 10 DGCDHN COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000848572169 631697706 /nfs/dbraw/zinc/69/77/06/631697706.db2.gz GYOXYNAEKAJJRL-LBPRGKRZSA-N 0 3 317.360 3.098 20 10 DGCDHN CCc1cccc(CN2CCC[C@@](OC)(C(F)(F)F)C2)c1O ZINC000848905831 631780585 /nfs/dbraw/zinc/78/05/85/631780585.db2.gz PAIYCISZZHCFID-HNNXBMFYSA-N 0 3 317.351 3.498 20 10 DGCDHN CCc1cccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000848912081 631784281 /nfs/dbraw/zinc/78/42/81/631784281.db2.gz AHRKNOWBCNLWCZ-HNNXBMFYSA-N 0 3 305.809 3.252 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1[O-] ZINC000848927798 631791117 /nfs/dbraw/zinc/79/11/17/631791117.db2.gz NUFZOEKVJKYSIN-GJZGRUSLSA-N 0 3 324.852 3.161 20 10 DGCDHN COc1cccc(CN2C[C@H](C)OC3(CCCCC3)C2)c1O ZINC000848928820 631792244 /nfs/dbraw/zinc/79/22/44/631792244.db2.gz ONJYANCTBXVLNB-AWEZNQCLSA-N 0 3 305.418 3.324 20 10 DGCDHN CN(C)c1ccc(CNc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000849351927 631901654 /nfs/dbraw/zinc/90/16/54/631901654.db2.gz FUSXQGDKRNTLJB-IBGZPJMESA-N 0 3 311.429 3.026 20 10 DGCDHN Oc1cccc(Cl)c1CNc1ccc([C@H]2CNCCO2)cc1 ZINC000849353063 631901953 /nfs/dbraw/zinc/90/19/53/631901953.db2.gz XOWPLSITZGRILT-QGZVFWFLSA-N 0 3 318.804 3.319 20 10 DGCDHN COc1cc(C[NH2+]Cc2ncccc2[O-])c(O)c(C(C)(C)C)c1 ZINC000850281964 632102453 /nfs/dbraw/zinc/10/24/53/632102453.db2.gz PUIPFSNWZZXHEU-UHFFFAOYSA-N 0 3 316.401 3.089 20 10 DGCDHN COC[C@@H](NCc1cc(C)c(C)cc1O)c1cccc(OC)c1 ZINC000850361836 632125839 /nfs/dbraw/zinc/12/58/39/632125839.db2.gz FTKCGGKRVGRWFO-GOSISDBHSA-N 0 3 315.413 3.495 20 10 DGCDHN CC(C)[C@@H](O)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000850395845 632138574 /nfs/dbraw/zinc/13/85/74/632138574.db2.gz ZVTYMIKZVGKMPR-WOJBJXKFSA-N 0 3 311.425 3.469 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@]2(C)CC2(C)C)c1[O-] ZINC000850400129 632139873 /nfs/dbraw/zinc/13/98/73/632139873.db2.gz ZVHAMVZLMXLWSX-CQSZACIVSA-N 0 3 314.223 3.442 20 10 DGCDHN Cc1sccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406891 632142300 /nfs/dbraw/zinc/14/23/00/632142300.db2.gz YBDLXKUZMSERSA-UHFFFAOYSA-N 0 3 316.470 3.307 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)c2c1c(F)ccc2[O-] ZINC000850521334 632178029 /nfs/dbraw/zinc/17/80/29/632178029.db2.gz RZPLKHXSAKPTGX-UISBYWKRSA-N 0 3 301.308 3.093 20 10 DGCDHN C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1[O-] ZINC000109773619 632316620 /nfs/dbraw/zinc/31/66/20/632316620.db2.gz KXWJSZYSGPJRRX-UHFFFAOYSA-N 0 3 324.424 3.260 20 10 DGCDHN C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1[O-] ZINC000109773619 632316626 /nfs/dbraw/zinc/31/66/26/632316626.db2.gz KXWJSZYSGPJRRX-UHFFFAOYSA-N 0 3 324.424 3.260 20 10 DGCDHN C[C@@H]([NH2+]CCCOCC1CCOCC1)c1cc(F)ccc1[O-] ZINC000185520668 660226995 /nfs/dbraw/zinc/22/69/95/660226995.db2.gz NHICEUFDHFMQHT-CYBMUJFWSA-N 0 3 311.397 3.015 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000186095063 660266187 /nfs/dbraw/zinc/26/61/87/660266187.db2.gz QYQJSNFNMIVIEY-YEJXKQKISA-N 0 3 303.427 3.289 20 10 DGCDHN COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000186752233 660573138 /nfs/dbraw/zinc/57/31/38/660573138.db2.gz QLZDIYUIRKVCDL-ZIAGYGMSSA-N 0 3 320.433 3.218 20 10 DGCDHN COCC1(NCc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793020918 661000327 /nfs/dbraw/zinc/00/03/27/661000327.db2.gz FCVAOBZJGNXYOH-UHFFFAOYSA-N 0 3 302.340 3.040 20 10 DGCDHN CC[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794804003 661106319 /nfs/dbraw/zinc/10/63/19/661106319.db2.gz LIEKDDAXPFMKFO-QGZVFWFLSA-N 0 3 312.413 3.058 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000318262743 655854486 /nfs/dbraw/zinc/85/44/86/655854486.db2.gz IQXYCHWDYOFJRU-OAHLLOKOSA-N 0 3 311.303 3.234 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CCc1cccc(Br)c1 ZINC000313739137 656306238 /nfs/dbraw/zinc/30/62/38/656306238.db2.gz LTUSEWZLWSUCSP-UHFFFAOYSA-N 0 3 306.203 3.487 20 10 DGCDHN COCC1CCC([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000840964055 656859779 /nfs/dbraw/zinc/85/97/79/656859779.db2.gz WMXAEUBIPGUMET-UHFFFAOYSA-N 0 3 313.825 3.349 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1[O-] ZINC000275335908 658548350 /nfs/dbraw/zinc/54/83/50/658548350.db2.gz NVVZAMHDIXHAIK-XDTLVQLUSA-N 0 3 314.223 3.027 20 10 DGCDHN C[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000224495836 659019866 /nfs/dbraw/zinc/01/98/66/659019866.db2.gz BDHMMJPLPINFCF-ZDUSSCGKSA-N 0 3 319.449 3.023 20 10 DGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226609544 659126847 /nfs/dbraw/zinc/12/68/47/659126847.db2.gz ABCPBOXANXYUST-CQSZACIVSA-N 0 3 324.396 3.020 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000172932094 659364248 /nfs/dbraw/zinc/36/42/48/659364248.db2.gz CWBYJFDMEBYNOI-INIZCTEOSA-N 0 3 324.424 3.000 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000172932094 659364251 /nfs/dbraw/zinc/36/42/51/659364251.db2.gz CWBYJFDMEBYNOI-INIZCTEOSA-N 0 3 324.424 3.000 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000189999012 662001194 /nfs/dbraw/zinc/00/11/94/662001194.db2.gz SHTGTISOAGFANH-OCCSQVGLSA-N 0 3 308.422 3.346 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1cnc2cnccn12)C1CCCC1 ZINC000093319233 662352586 /nfs/dbraw/zinc/35/25/86/662352586.db2.gz MTARERWBIAGOQP-UHFFFAOYSA-N 0 3 322.412 3.380 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1cnc2cnccn12)C1CCCC1 ZINC000093319233 662352589 /nfs/dbraw/zinc/35/25/89/662352589.db2.gz MTARERWBIAGOQP-UHFFFAOYSA-N 0 3 322.412 3.380 20 10 DGCDHN COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000186764975 685113489 /nfs/dbraw/zinc/11/34/89/685113489.db2.gz YNCCISSTZGQUHU-KBPBESRZSA-N 0 3 320.433 3.218 20 10 DGCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000382452242 685163274 /nfs/dbraw/zinc/16/32/74/685163274.db2.gz GIPKYDQFHHVTMQ-HIFRSBDPSA-N 0 3 320.433 3.175 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000397858616 685232952 /nfs/dbraw/zinc/23/29/52/685232952.db2.gz XMMUJHJGPAJLGS-CABCVRRESA-N 0 3 320.433 3.174 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000397858748 685233172 /nfs/dbraw/zinc/23/31/72/685233172.db2.gz DGTVJMDMOSDETP-CYBMUJFWSA-N 0 3 320.433 3.218 20 10 DGCDHN C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])c2cc(F)ccc2C[NH2+]1 ZINC001576807880 1191869774 /nfs/dbraw/zinc/86/97/74/1191869774.db2.gz XCDYKJZLDQCRFY-SNVBAGLBSA-N 0 3 322.330 3.308 20 10 DGCDHN CC[C@H](C)C[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001576972535 1191877227 /nfs/dbraw/zinc/87/72/27/1191877227.db2.gz VWXBLBPIMJIDKM-KBXCAEBGSA-N 0 3 317.477 3.007 20 10 DGCDHN Cc1cc([O-])c(CN2CCC([NH2+]CC3CC3)CC2)cc1Cl ZINC001579637939 1191983554 /nfs/dbraw/zinc/98/35/54/1191983554.db2.gz JSIALCWXOJKNAO-UHFFFAOYSA-N 0 3 308.853 3.318 20 10 DGCDHN O=C(c1cccc2c1CCNC2)N1CCCc2c(F)cccc21 ZINC001580824987 1192042751 /nfs/dbraw/zinc/04/27/51/1192042751.db2.gz PFZKMQDSHTVBPO-UHFFFAOYSA-N 0 3 310.372 3.064 20 10 DGCDHN Cc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(F)ccc3[O-])C2)cc1 ZINC001334383761 1178756840 /nfs/dbraw/zinc/75/68/40/1178756840.db2.gz IFJXVCJHRGTBNX-INIZCTEOSA-N 0 3 314.360 3.123 20 10 DGCDHN C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1[O-] ZINC001460636132 1182701598 /nfs/dbraw/zinc/70/15/98/1182701598.db2.gz HTUZEZLTMDQTBJ-LLVKDONJSA-N 0 3 320.339 3.350 20 10 DGCDHN CC(C)[NH+](CCCNCc1cc(F)cc(F)c1[O-])C(C)C ZINC001461267495 1182789981 /nfs/dbraw/zinc/78/99/81/1182789981.db2.gz KLBXRPKDCBEYFV-UHFFFAOYSA-N 0 3 300.393 3.269 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)Cc2cccc(N(C)C)c2)c([O-])c1 ZINC001461929796 1182882072 /nfs/dbraw/zinc/88/20/72/1182882072.db2.gz XZJPAZGEWLSLOG-UHFFFAOYSA-N 0 3 314.429 3.407 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)Cc2cccc(N(C)C)c2)c([O-])c1 ZINC001461929796 1182882076 /nfs/dbraw/zinc/88/20/76/1182882076.db2.gz XZJPAZGEWLSLOG-UHFFFAOYSA-N 0 3 314.429 3.407 20 10 DGCDHN COc1ccc(SCC[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC001462143708 1182914201 /nfs/dbraw/zinc/91/42/01/1182914201.db2.gz AETJCZRICNLUBQ-UHFFFAOYSA-N 0 3 319.426 3.291 20 10 DGCDHN Cc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC001462220279 1182924808 /nfs/dbraw/zinc/92/48/08/1182924808.db2.gz ORYILTIQDDDNLT-UHFFFAOYSA-N 0 3 300.358 3.283 20 10 DGCDHN Cc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC001462220279 1182924812 /nfs/dbraw/zinc/92/48/12/1182924812.db2.gz ORYILTIQDDDNLT-UHFFFAOYSA-N 0 3 300.358 3.283 20 10 DGCDHN Cc1ccccc1[C@H](CO)NCc1ccc(N2CCCC2)cc1 ZINC001474041777 1183856255 /nfs/dbraw/zinc/85/62/55/1183856255.db2.gz YPZSUBLGBBNEFT-FQEVSTJZSA-N 0 3 310.441 3.418 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001474378738 1183912133 /nfs/dbraw/zinc/91/21/33/1183912133.db2.gz GVEYRZGHMLCHQH-LKIHTYOGSA-N 0 3 322.456 3.435 20 10 DGCDHN CC(C)c1ccc([O-])c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC001560845482 1189393722 /nfs/dbraw/zinc/39/37/22/1189393722.db2.gz VKAHZSQSJKOYIA-PKOBYXMFSA-N 0 3 303.446 3.402 20 10 DGCDHN COc1cc(C)c(CN[C@H](c2ccccc2F)[C@@H](C)O)c(O)c1 ZINC001621422859 1193841162 /nfs/dbraw/zinc/84/11/62/1193841162.db2.gz FXVFWRAGMFUHFI-XIKOKIGWSA-N 0 3 319.376 3.060 20 10 DGCDHN CCN(C)c1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC001644417894 1195107419 /nfs/dbraw/zinc/10/74/19/1195107419.db2.gz MMGDROYRTKTFDZ-BGYRXZFFSA-N 0 3 310.441 3.283 20 10 DGCDHN CCCOc1ccc(CN[C@H](C(=O)NCC)C(C)C)cc1C ZINC001651122865 1195416714 /nfs/dbraw/zinc/41/67/14/1195416714.db2.gz OGHZITFCUALATR-KRWDZBQOSA-N 0 3 306.450 3.034 20 10 DGCDHN CCCOc1ccc(CNC[C@](C)(O)C(F)(F)F)cc1C ZINC001655939909 1195980304 /nfs/dbraw/zinc/98/03/04/1195980304.db2.gz IGDPZYALOAEIEB-AWEZNQCLSA-N 0 3 305.340 3.187 20 10 DGCDHN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC001657228495 1196120266 /nfs/dbraw/zinc/12/02/66/1196120266.db2.gz AKKNGVHGXDRTMM-DYVFJYSZSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC001657228495 1196120269 /nfs/dbraw/zinc/12/02/69/1196120269.db2.gz AKKNGVHGXDRTMM-DYVFJYSZSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc2cncn2c1 ZINC001657506886 1196149818 /nfs/dbraw/zinc/14/98/18/1196149818.db2.gz BJZWFWQPSDIEPV-UHFFFAOYSA-N 0 3 305.740 3.122 20 10 DGCDHN CN(Cc1cnc[nH]1)Cc1ccc(OCc2ccccc2)cc1O ZINC001658533406 1196270583 /nfs/dbraw/zinc/27/05/83/1196270583.db2.gz LMMDOOMGQJBHGR-UHFFFAOYSA-N 0 3 323.396 3.326 20 10 DGCDHN COC(=O)c1c(CN2CCCCCC2)c2cc(F)ccc2n1C ZINC001658639986 1196282984 /nfs/dbraw/zinc/28/29/84/1196282984.db2.gz GCPNZBPPNWRMRO-UHFFFAOYSA-N 0 3 318.392 3.480 20 10 DGCDHN COc1ccc(O)c(CN[C@@H](C)c2cc(F)ccc2N(C)C)c1 ZINC001659131712 1196349726 /nfs/dbraw/zinc/34/97/26/1196349726.db2.gz JTFIYTHVDPSNNS-LBPRGKRZSA-N 0 3 318.392 3.457 20 10 DGCDHN CCN(Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C1CC1 ZINC001659160684 1196354721 /nfs/dbraw/zinc/35/47/21/1196354721.db2.gz NABHLIBWPWYYBQ-UHFFFAOYSA-N 0 3 304.365 3.088 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCCc2ncccc2C)c([O-])c1 ZINC001659209434 1196359054 /nfs/dbraw/zinc/35/90/54/1196359054.db2.gz CHLMRDCQKHGERS-UHFFFAOYSA-N 0 3 300.402 3.135 20 10 DGCDHN Cc1ccc(O)c(CNCc2cccc3c2OC(F)(F)O3)c1 ZINC001659689508 1196406071 /nfs/dbraw/zinc/40/60/71/1196406071.db2.gz FTLRXHOPLMWKAU-UHFFFAOYSA-N 0 3 307.296 3.312 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC001659815901 1196417226 /nfs/dbraw/zinc/41/72/26/1196417226.db2.gz YFSWHRSUDYPDIP-MNOVXSKESA-N 0 3 320.339 3.348 20 10 DGCDHN CC(C)c1ccc(O)c(CN(C)CCNC(=O)OC(C)(C)C)c1 ZINC001659970332 1196433771 /nfs/dbraw/zinc/43/37/71/1196433771.db2.gz WXASNCNFEQKDDE-UHFFFAOYSA-N 0 3 322.449 3.472 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)c([O-])c1 ZINC001660796746 1196525992 /nfs/dbraw/zinc/52/59/92/1196525992.db2.gz TZRYJXVVBSTOQF-AWEZNQCLSA-N 0 3 307.434 3.394 20 10 DGCDHN COC(=O)c1c(CN2C[C@H](C)C[C@@H]2C)c2cc(F)ccc2n1C ZINC001663591959 1196910002 /nfs/dbraw/zinc/91/00/02/1196910002.db2.gz YCJNATRBAMNENZ-NEPJUHHUSA-N 0 3 318.392 3.334 20 10 DGCDHN CC(C)n1ncc2c1[C@@H]([NH2+]Cc1cc(F)ccc1[O-])CCC2 ZINC001664171362 1196977265 /nfs/dbraw/zinc/97/72/65/1196977265.db2.gz WMZUEWKDZYSWOQ-HNNXBMFYSA-N 0 3 303.381 3.476 20 10 DGCDHN CCC(C)(C)C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001754164739 1200119364 /nfs/dbraw/zinc/11/93/64/1200119364.db2.gz NVUSTJWFVXFWDW-FPLPWBNLSA-N 0 3 318.461 3.202 20 10 DGCDHN CCOC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001169664603 1081622716 /nfs/dbraw/zinc/62/27/16/1081622716.db2.gz PWTKAFQTVORFHS-HNNXBMFYSA-N 0 3 320.433 3.110 20 10 DGCDHN CCc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167436885 1082121918 /nfs/dbraw/zinc/12/19/18/1082121918.db2.gz FAKJQWVCILBGRK-UHFFFAOYSA-N 0 3 310.445 3.008 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@@H]2COc3cccc(C)c3C2)c([O-])c1 ZINC001183013028 1083856019 /nfs/dbraw/zinc/85/60/19/1083856019.db2.gz XMVQQAQVJZCVCN-AWEZNQCLSA-N 0 3 313.397 3.111 20 10 DGCDHN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000697891560 1087373258 /nfs/dbraw/zinc/37/32/58/1087373258.db2.gz ZAIHLIVYAPNTIU-QWHCGFSZSA-N 0 3 308.422 3.204 20 10 DGCDHN CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCC[C@H]1[NH3+] ZINC001236214126 1088711866 /nfs/dbraw/zinc/71/18/66/1088711866.db2.gz QJICGBZQINHIKP-OLZOCXBDSA-N 0 3 303.233 3.401 20 10 DGCDHN Cc1cccc(CNc2cc(Cl)nc3c2CCNC3)c1O ZINC001160769853 1088950708 /nfs/dbraw/zinc/95/07/08/1088950708.db2.gz LRELLTYWZHTFTE-UHFFFAOYSA-N 0 3 303.793 3.007 20 10 DGCDHN Cc1cc(C)c(CNc2cc(Cl)nc3c2CCNC3)c(O)c1 ZINC001160811554 1088976198 /nfs/dbraw/zinc/97/61/98/1088976198.db2.gz QPEZNBWOXZRUIU-UHFFFAOYSA-N 0 3 317.820 3.315 20 10 DGCDHN COC(=O)C1(C)CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237687634 1090317458 /nfs/dbraw/zinc/31/74/58/1090317458.db2.gz PBBZWFBJETZMQV-UHFFFAOYSA-N 0 3 311.809 3.129 20 10 DGCDHN COC(=O)C1(C)CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237687634 1090317466 /nfs/dbraw/zinc/31/74/66/1090317466.db2.gz PBBZWFBJETZMQV-UHFFFAOYSA-N 0 3 311.809 3.129 20 10 DGCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2[O-])C1 ZINC001203558555 1090614392 /nfs/dbraw/zinc/61/43/92/1090614392.db2.gz MVNAEWFGALSTSK-HIFRSBDPSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC001203558555 1090614394 /nfs/dbraw/zinc/61/43/94/1090614394.db2.gz MVNAEWFGALSTSK-HIFRSBDPSA-N 0 3 320.433 3.127 20 10 DGCDHN O=c1oc2ccccc2n1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203556197 1090754345 /nfs/dbraw/zinc/75/43/45/1090754345.db2.gz NGSBFLUOMUHPQA-UHFFFAOYSA-N 0 3 324.380 3.137 20 10 DGCDHN CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccccc1O ZINC001203556009 1090754574 /nfs/dbraw/zinc/75/45/74/1090754574.db2.gz IMBIUOBNASYMGW-QRTARXTBSA-N 0 3 317.429 3.334 20 10 DGCDHN Cc1ccc2c(n1)N(CC1CC1)CCN(Cc1ccccc1O)C2 ZINC001203556950 1090756020 /nfs/dbraw/zinc/75/60/20/1090756020.db2.gz XIDQHPGSTZCPAP-UHFFFAOYSA-N 0 3 323.440 3.328 20 10 DGCDHN CCCCCCN1CCN(Cc2cccc(OCC)c2O)CC1 ZINC001203609523 1090766656 /nfs/dbraw/zinc/76/66/56/1090766656.db2.gz WVURRYXRIXFMJJ-UHFFFAOYSA-N 0 3 320.477 3.489 20 10 DGCDHN COc1ccc(CN(C)Cc2cc(OC)cc(OC)c2)c(O)c1 ZINC001203628766 1090768928 /nfs/dbraw/zinc/76/89/28/1090768928.db2.gz FFJHIBFFURFVER-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN COc1ccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c([O-])c1 ZINC001203628766 1090768936 /nfs/dbraw/zinc/76/89/36/1090768936.db2.gz FFJHIBFFURFVER-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN COc1ccc(C[N@@H+](C)Cc2cc(OC)cc(OC)c2)c([O-])c1 ZINC001203628766 1090768946 /nfs/dbraw/zinc/76/89/46/1090768946.db2.gz FFJHIBFFURFVER-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001203665503 1090775258 /nfs/dbraw/zinc/77/52/58/1090775258.db2.gz MVIYCRKAYCEKIQ-GJZGRUSLSA-N 0 3 312.816 3.054 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC001204274702 1090938100 /nfs/dbraw/zinc/93/81/00/1090938100.db2.gz GTQFSJCXTOYTNV-UHFFFAOYSA-N 0 3 313.397 3.279 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(n2ncc3ccccc32)CC1 ZINC001204279078 1090938785 /nfs/dbraw/zinc/93/87/85/1090938785.db2.gz PRYOWYUTEJIETK-UHFFFAOYSA-N 0 3 323.396 3.285 20 10 DGCDHN CCOc1ccc(CN2CCc3cccc(O)c3C2)cc1OC ZINC001204361231 1090955920 /nfs/dbraw/zinc/95/59/20/1090955920.db2.gz DWDLDNMIBCNISE-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN CN(Cc1c([O-])cccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137831873 1091092825 /nfs/dbraw/zinc/09/28/25/1091092825.db2.gz QQYSQNNNDGTBMA-MRXNPFEDSA-N 0 3 314.404 3.238 20 10 DGCDHN CN(Cc1c([O-])cccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001137831873 1091092831 /nfs/dbraw/zinc/09/28/31/1091092831.db2.gz QQYSQNNNDGTBMA-MRXNPFEDSA-N 0 3 314.404 3.238 20 10 DGCDHN C[C@]1(F)CCCN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338218 1091146924 /nfs/dbraw/zinc/14/69/24/1091146924.db2.gz NOEZDOQCQFYLFB-IBGZPJMESA-N 0 3 318.436 3.415 20 10 DGCDHN CCN(CC)c1ccc(CN2C[C@H]3OC[C@@H](C)[C@H]3C2)c(OC)c1 ZINC001138389280 1091163397 /nfs/dbraw/zinc/16/33/97/1091163397.db2.gz ICRKXDYGCNENFS-LSBZLQRGSA-N 0 3 318.461 3.008 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@]23CCOC3)c(OC)c1 ZINC001138390344 1091166013 /nfs/dbraw/zinc/16/60/13/1091166013.db2.gz RYJGFWZLMQJPOF-LJQANCHMSA-N 0 3 318.461 3.296 20 10 DGCDHN C[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@H]1C[NH3+] ZINC001205314551 1091180318 /nfs/dbraw/zinc/18/03/18/1091180318.db2.gz BRPWNWKAFLBRRZ-MWLCHTKSSA-N 0 3 303.233 3.116 20 10 DGCDHN C[C@]1(C[NH3+])CCCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001206575864 1091675446 /nfs/dbraw/zinc/67/54/46/1091675446.db2.gz ZYEKFXFENNYDSN-OAHLLOKOSA-N 0 3 300.805 3.136 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001140055562 1091751139 /nfs/dbraw/zinc/75/11/39/1091751139.db2.gz KZPJAHSGCALSSA-QGZVFWFLSA-N 0 3 301.361 3.322 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001140055562 1091751148 /nfs/dbraw/zinc/75/11/48/1091751148.db2.gz KZPJAHSGCALSSA-QGZVFWFLSA-N 0 3 301.361 3.322 20 10 DGCDHN CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140059178 1091752387 /nfs/dbraw/zinc/75/23/87/1091752387.db2.gz XJBLDKNFVZBVDI-GFCCVEGCSA-N 0 3 319.380 3.417 20 10 DGCDHN CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140059178 1091752393 /nfs/dbraw/zinc/75/23/93/1091752393.db2.gz XJBLDKNFVZBVDI-GFCCVEGCSA-N 0 3 319.380 3.417 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccccc1-c1cnc(N)nc1 ZINC001140325780 1091827535 /nfs/dbraw/zinc/82/75/35/1091827535.db2.gz UYPKSWRNUSEUBU-UHFFFAOYSA-N 0 3 320.396 3.063 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccccc1-c1cnc(N)nc1 ZINC001140325780 1091827539 /nfs/dbraw/zinc/82/75/39/1091827539.db2.gz UYPKSWRNUSEUBU-UHFFFAOYSA-N 0 3 320.396 3.063 20 10 DGCDHN C[N@H+](CCc1c(Cl)ncnc1Cl)Cc1ccccc1[O-] ZINC001207332735 1091926440 /nfs/dbraw/zinc/92/64/40/1091926440.db2.gz VJNQSZASJIQQNJ-UHFFFAOYSA-N 0 3 312.200 3.164 20 10 DGCDHN C[N@@H+](CCc1c(Cl)ncnc1Cl)Cc1ccccc1[O-] ZINC001207332735 1091926442 /nfs/dbraw/zinc/92/64/42/1091926442.db2.gz VJNQSZASJIQQNJ-UHFFFAOYSA-N 0 3 312.200 3.164 20 10 DGCDHN Cc1c(O)ccc(C[N@H+](C2CCCC2)C2CCN(C)CC2)c1[O-] ZINC001140749786 1091984958 /nfs/dbraw/zinc/98/49/58/1091984958.db2.gz NAVMZNACDAXPBD-UHFFFAOYSA-N 0 3 318.461 3.245 20 10 DGCDHN Cc1c(O)ccc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)c1[O-] ZINC001140749786 1091984967 /nfs/dbraw/zinc/98/49/67/1091984967.db2.gz NAVMZNACDAXPBD-UHFFFAOYSA-N 0 3 318.461 3.245 20 10 DGCDHN CCN(CC)c1ccc(CN2CCO[C@H](C(C)C)C2)c(O)c1 ZINC001140856579 1092033544 /nfs/dbraw/zinc/03/35/44/1092033544.db2.gz FIJKYTPZMXBBII-SFHVURJKSA-N 0 3 306.450 3.095 20 10 DGCDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924707 1092064142 /nfs/dbraw/zinc/06/41/42/1092064142.db2.gz NIYHPGHEZGKGBW-KRWDZBQOSA-N 0 3 324.852 3.181 20 10 DGCDHN Cc1noc([C@@H]2CCN(Cc3ccc(N(C)C)cc3Cl)C2)n1 ZINC001140926082 1092067903 /nfs/dbraw/zinc/06/79/03/1092067903.db2.gz YXEKAZIRNXCQQW-CYBMUJFWSA-N 0 3 320.824 3.087 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCCN(c3ncccc3C)CC2)c([O-])c1 ZINC001140949564 1092074756 /nfs/dbraw/zinc/07/47/56/1092074756.db2.gz DWPFTBHHKSZEIC-UHFFFAOYSA-N 0 3 311.429 3.116 20 10 DGCDHN Cc1ccc(C[N@H+]2CCCN(c3ncccc3C)CC2)c([O-])c1 ZINC001140949564 1092074766 /nfs/dbraw/zinc/07/47/66/1092074766.db2.gz DWPFTBHHKSZEIC-UHFFFAOYSA-N 0 3 311.429 3.116 20 10 DGCDHN Cc1ccc(CN2CCN(c3ccc(F)c(F)c3)CC2)c(O)c1 ZINC001140948463 1092075628 /nfs/dbraw/zinc/07/56/28/1092075628.db2.gz JBVHSXABGMMUTO-UHFFFAOYSA-N 0 3 318.367 3.301 20 10 DGCDHN CCc1noc([C@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC001140957754 1092082042 /nfs/dbraw/zinc/08/20/42/1092082042.db2.gz MPEGXMSGFKESCS-AWEZNQCLSA-N 0 3 301.390 3.026 20 10 DGCDHN CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)n1 ZINC001140957754 1092082050 /nfs/dbraw/zinc/08/20/50/1092082050.db2.gz MPEGXMSGFKESCS-AWEZNQCLSA-N 0 3 301.390 3.026 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(OC)c1 ZINC001141028397 1092111063 /nfs/dbraw/zinc/11/10/63/1092111063.db2.gz NAVUFPBPEQCHKK-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](c3ccccc3)C2)c(OC)c1 ZINC001141028397 1092111067 /nfs/dbraw/zinc/11/10/67/1092111067.db2.gz NAVUFPBPEQCHKK-HNNXBMFYSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cc([O-])c(C[NH+]2CCc3ccccc3CC2)c(OC)c1 ZINC001141028451 1092111575 /nfs/dbraw/zinc/11/15/75/1092111575.db2.gz PAFRDEOQICPPQM-UHFFFAOYSA-N 0 3 313.397 3.010 20 10 DGCDHN COc1cc(O)c(CN(C)Cc2cccc(C)c2)c(OC)c1 ZINC001141031954 1092112924 /nfs/dbraw/zinc/11/29/24/1092112924.db2.gz OKSHSJUHFWTKEY-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@H]2c2cccnc2)c(OC)c1 ZINC001141031271 1092113303 /nfs/dbraw/zinc/11/33/03/1092113303.db2.gz AWXWXUXWJVRTNJ-INIZCTEOSA-N 0 3 314.385 3.142 20 10 DGCDHN C[N@@H+]1C[C@@]23CN(Cc4cccc(Cl)c4[O-])C[C@]2(C1)CCCC3 ZINC001207844963 1092118773 /nfs/dbraw/zinc/11/87/73/1092118773.db2.gz UBMMKGMQZVUHJW-HDICACEKSA-N 0 3 320.864 3.353 20 10 DGCDHN C[N@H+]1C[C@@]23CN(Cc4cccc(Cl)c4[O-])C[C@]2(C1)CCCC3 ZINC001207844963 1092118778 /nfs/dbraw/zinc/11/87/78/1092118778.db2.gz UBMMKGMQZVUHJW-HDICACEKSA-N 0 3 320.864 3.353 20 10 DGCDHN CN1C[C@]23C[N@H+](Cc4cccc(Cl)c4[O-])C[C@@]2(C1)CCCC3 ZINC001207844963 1092118781 /nfs/dbraw/zinc/11/87/81/1092118781.db2.gz UBMMKGMQZVUHJW-HDICACEKSA-N 0 3 320.864 3.353 20 10 DGCDHN CN1C[C@]23C[N@@H+](Cc4cccc(Cl)c4[O-])C[C@@]2(C1)CCCC3 ZINC001207844963 1092118786 /nfs/dbraw/zinc/11/87/86/1092118786.db2.gz UBMMKGMQZVUHJW-HDICACEKSA-N 0 3 320.864 3.353 20 10 DGCDHN CN1CCOc2cc(CN3CCC(OC4CCC4)CC3)ccc21 ZINC001141140760 1092148027 /nfs/dbraw/zinc/14/80/27/1092148027.db2.gz PCVYGKDGZCDHLJ-UHFFFAOYSA-N 0 3 316.445 3.049 20 10 DGCDHN C[C@H]1Cc2ccccc2CN1Cc1ccc2c(c1)OCCN2C ZINC001141145706 1092150643 /nfs/dbraw/zinc/15/06/43/1092150643.db2.gz YOVOLJKZARHSQA-HNNXBMFYSA-N 0 3 308.425 3.462 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001168826164 1092385023 /nfs/dbraw/zinc/38/50/23/1092385023.db2.gz XABWROMBTCSVEX-BFHYXJOUSA-N 0 3 320.433 3.441 20 10 DGCDHN CCOc1ccc(N2CCN(CC(C)(C)C(=O)CC)CC2)cc1 ZINC001208921657 1092586432 /nfs/dbraw/zinc/58/64/32/1092586432.db2.gz HUYVUWMYIUSKNX-UHFFFAOYSA-N 0 3 318.461 3.213 20 10 DGCDHN CN(CCC[N@@H+]1CCc2cccc([O-])c2C1)C(=O)OC(C)(C)C ZINC001209140334 1092668913 /nfs/dbraw/zinc/66/89/13/1092668913.db2.gz RQMALMYVYBYTLQ-UHFFFAOYSA-N 0 3 320.433 3.007 20 10 DGCDHN CN(CCC[N@H+]1CCc2cccc([O-])c2C1)C(=O)OC(C)(C)C ZINC001209140334 1092668917 /nfs/dbraw/zinc/66/89/17/1092668917.db2.gz RQMALMYVYBYTLQ-UHFFFAOYSA-N 0 3 320.433 3.007 20 10 DGCDHN CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001169448114 1092686964 /nfs/dbraw/zinc/68/69/64/1092686964.db2.gz HWYVDAVEEDEOKV-CQSZACIVSA-N 0 3 314.429 3.282 20 10 DGCDHN CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000180385511 1093850600 /nfs/dbraw/zinc/85/06/00/1093850600.db2.gz SYNXWNXCDUQJKB-UHFFFAOYSA-N 0 3 303.377 3.304 20 10 DGCDHN CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000180385511 1093850604 /nfs/dbraw/zinc/85/06/04/1093850604.db2.gz SYNXWNXCDUQJKB-UHFFFAOYSA-N 0 3 303.377 3.304 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170903253 1094900387 /nfs/dbraw/zinc/90/03/87/1094900387.db2.gz VOTZRFGMMHUMGK-CYBMUJFWSA-N 0 3 303.789 3.398 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@@]3(CCCC[NH2+]3)C2)cc1Cl ZINC001222396592 1095592948 /nfs/dbraw/zinc/59/29/48/1095592948.db2.gz UCGRGGKECSOQRW-KRWDZBQOSA-N 0 3 308.853 3.462 20 10 DGCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222436779 1095614403 /nfs/dbraw/zinc/61/44/03/1095614403.db2.gz ZZQKFXXLXWDDTJ-HNNXBMFYSA-N 0 3 314.351 3.129 20 10 DGCDHN COC(=O)c1cccc(CNCc2ccc(N3CCCC3)cc2)c1 ZINC001117592651 1095785965 /nfs/dbraw/zinc/78/59/65/1095785965.db2.gz VQOLWEOGBPBNIQ-UHFFFAOYSA-N 0 3 324.424 3.363 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171458225 1096889524 /nfs/dbraw/zinc/88/95/24/1096889524.db2.gz JJDPSULWBORRAO-ZDUSSCGKSA-N 0 3 305.324 3.023 20 10 DGCDHN CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001171911944 1096999932 /nfs/dbraw/zinc/99/99/32/1096999932.db2.gz DWFDSZHSSPCNQS-UHFFFAOYSA-N 0 3 321.417 3.088 20 10 DGCDHN CCOC(=O)C1(C)CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC001171956715 1097004754 /nfs/dbraw/zinc/00/47/54/1097004754.db2.gz LWSJKMFMZRGFDX-UHFFFAOYSA-N 0 3 305.418 3.336 20 10 DGCDHN CCOC(=O)C1(C)CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001171956715 1097004761 /nfs/dbraw/zinc/00/47/61/1097004761.db2.gz LWSJKMFMZRGFDX-UHFFFAOYSA-N 0 3 305.418 3.336 20 10 DGCDHN COc1ccc2c(c1)c1c(n2C)CCN(C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172242104 1097089309 /nfs/dbraw/zinc/08/93/09/1097089309.db2.gz NKECUPVBWIJHHS-VHRNVKJDSA-N 0 3 324.424 3.031 20 10 DGCDHN C[N@@H+]1CCC2(CN(Cc3cc(Cl)c(C(C)(C)C)cc3[O-])C2)C1 ZINC001277408362 1097362146 /nfs/dbraw/zinc/36/21/46/1097362146.db2.gz PGZHWCFFJBDNAF-UHFFFAOYSA-N 0 3 322.880 3.481 20 10 DGCDHN C[N@H+]1CCC2(CN(Cc3cc(Cl)c(C(C)(C)C)cc3[O-])C2)C1 ZINC001277408362 1097362151 /nfs/dbraw/zinc/36/21/51/1097362151.db2.gz PGZHWCFFJBDNAF-UHFFFAOYSA-N 0 3 322.880 3.481 20 10 DGCDHN CCOC(=O)[C@H]1CC12CCC([N@H+](C)Cc1ccccc1[O-])CC2 ZINC001173617989 1097483538 /nfs/dbraw/zinc/48/35/38/1097483538.db2.gz CTALTYMWGKQRAM-KOHRHEQBSA-N 0 3 317.429 3.336 20 10 DGCDHN CCOC(=O)[C@H]1CC12CCC([N@@H+](C)Cc1ccccc1[O-])CC2 ZINC001173617989 1097483542 /nfs/dbraw/zinc/48/35/42/1097483542.db2.gz CTALTYMWGKQRAM-KOHRHEQBSA-N 0 3 317.429 3.336 20 10 DGCDHN COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001173712695 1097500161 /nfs/dbraw/zinc/50/01/61/1097500161.db2.gz TUNCBKKXAOWRAI-ZIAGYGMSSA-N 0 3 313.397 3.461 20 10 DGCDHN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199177 1097963481 /nfs/dbraw/zinc/96/34/81/1097963481.db2.gz DVWIXXDEMZCBDB-DZKIICNBSA-N 0 3 324.827 3.109 20 10 DGCDHN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198697 1097964069 /nfs/dbraw/zinc/96/40/69/1097964069.db2.gz DVWIXXDEMZCBDB-OFQRWUPVSA-N 0 3 324.827 3.109 20 10 DGCDHN CSc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001175417730 1098039621 /nfs/dbraw/zinc/03/96/21/1098039621.db2.gz AKXYKYZVMWAQJJ-GFCCVEGCSA-N 0 3 316.426 3.403 20 10 DGCDHN CN(CCc1ccc(Cl)cc1)Cc1cc(O)c(O)c(O)c1 ZINC001233011499 1098202451 /nfs/dbraw/zinc/20/24/51/1098202451.db2.gz BCHMQVRSLAXOAS-UHFFFAOYSA-N 0 3 307.777 3.131 20 10 DGCDHN [O-]c1c(C[N@@H+]2CCC[C@@]23CCOC3)cccc1OC(F)(F)F ZINC001233768177 1098427126 /nfs/dbraw/zinc/42/71/26/1098427126.db2.gz LNVCXFDPWVWVDI-AWEZNQCLSA-N 0 3 317.307 3.046 20 10 DGCDHN [O-]c1c(C[N@H+]2CCC[C@@]23CCOC3)cccc1OC(F)(F)F ZINC001233768177 1098427129 /nfs/dbraw/zinc/42/71/29/1098427129.db2.gz LNVCXFDPWVWVDI-AWEZNQCLSA-N 0 3 317.307 3.046 20 10 DGCDHN CO[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@@H](C)C1 ZINC001233776170 1098429116 /nfs/dbraw/zinc/42/91/16/1098429116.db2.gz MCGAKZNYWLHKQB-JQWIXIFHSA-N 0 3 319.323 3.290 20 10 DGCDHN CO[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])[C@@H](C)C1 ZINC001233776170 1098429117 /nfs/dbraw/zinc/42/91/17/1098429117.db2.gz MCGAKZNYWLHKQB-JQWIXIFHSA-N 0 3 319.323 3.290 20 10 DGCDHN COc1ccc2ccc(O)c(CN(C)Cc3cnc(C)nc3)c2c1 ZINC001234562086 1098600318 /nfs/dbraw/zinc/60/03/18/1098600318.db2.gz GNMJCOAEGPTVJZ-UHFFFAOYSA-N 0 3 323.396 3.284 20 10 DGCDHN [O-]c1cc(Cl)c(F)cc1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038905 1098766176 /nfs/dbraw/zinc/76/61/76/1098766176.db2.gz LAQXVGVSCHPFIR-MRXNPFEDSA-N 0 3 312.816 3.293 20 10 DGCDHN Cc1nnc(-c2ccc(C[N@@H+](C)Cc3ccccc3[O-])cc2)o1 ZINC001235050555 1098777116 /nfs/dbraw/zinc/77/71/16/1098777116.db2.gz AWTMHBNZARQEJW-UHFFFAOYSA-N 0 3 309.369 3.383 20 10 DGCDHN Cc1nnc(-c2ccc(C[N@H+](C)Cc3ccccc3[O-])cc2)o1 ZINC001235050555 1098777124 /nfs/dbraw/zinc/77/71/24/1098777124.db2.gz AWTMHBNZARQEJW-UHFFFAOYSA-N 0 3 309.369 3.383 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c([O-])c1 ZINC001235677713 1099120348 /nfs/dbraw/zinc/12/03/48/1099120348.db2.gz GMDJSLURVKVODV-INIZCTEOSA-N 0 3 314.433 3.118 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c([O-])c1 ZINC001235677713 1099120353 /nfs/dbraw/zinc/12/03/53/1099120353.db2.gz GMDJSLURVKVODV-INIZCTEOSA-N 0 3 314.433 3.118 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@H]1C ZINC001235679566 1099122456 /nfs/dbraw/zinc/12/24/56/1099122456.db2.gz POOYWJJWXYPLHL-XJKSGUPXSA-N 0 3 319.445 3.463 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@H]1C ZINC001235679566 1099122461 /nfs/dbraw/zinc/12/24/61/1099122461.db2.gz POOYWJJWXYPLHL-XJKSGUPXSA-N 0 3 319.445 3.463 20 10 DGCDHN CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681617 1099124572 /nfs/dbraw/zinc/12/45/72/1099124572.db2.gz OHZDUZBMRNXQNK-MRXNPFEDSA-N 0 3 318.461 3.180 20 10 DGCDHN CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681617 1099124575 /nfs/dbraw/zinc/12/45/75/1099124575.db2.gz OHZDUZBMRNXQNK-MRXNPFEDSA-N 0 3 318.461 3.180 20 10 DGCDHN COC(=O)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235682850 1099126555 /nfs/dbraw/zinc/12/65/55/1099126555.db2.gz QRTAVPGLPPWTGV-UHFFFAOYSA-N 0 3 305.418 3.075 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]C[C@H]1c1cccs1 ZINC001236115676 1099403420 /nfs/dbraw/zinc/40/34/20/1099403420.db2.gz GDFGHEBIBVBNMX-ZDUSSCGKSA-N 0 3 308.834 3.254 20 10 DGCDHN CCCC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CC[NH2+]1 ZINC001236140359 1099426793 /nfs/dbraw/zinc/42/67/93/1099426793.db2.gz DUXCFGFRFRLWSK-AWEZNQCLSA-N 0 3 316.367 3.375 20 10 DGCDHN C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(O)cc1[O-] ZINC001204275484 1099469920 /nfs/dbraw/zinc/46/99/20/1099469920.db2.gz SJDLJYFGJHUTKB-UHFFFAOYSA-N 0 3 312.413 3.330 20 10 DGCDHN C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(O)cc1[O-] ZINC001204275484 1099469925 /nfs/dbraw/zinc/46/99/25/1099469925.db2.gz SJDLJYFGJHUTKB-UHFFFAOYSA-N 0 3 312.413 3.330 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@](F)(C[NH3+])C2)cc1Cl ZINC001236433719 1099609290 /nfs/dbraw/zinc/60/92/90/1099609290.db2.gz HPDRKHOEDXDLKC-INIZCTEOSA-N 0 3 314.832 3.216 20 10 DGCDHN COc1cc(C[N@H+](C)C2CC(C)C2)c([O-])cc1Br ZINC001236746865 1099769272 /nfs/dbraw/zinc/76/92/72/1099769272.db2.gz HPPOJJBDJNXOJK-UHFFFAOYSA-N 0 3 314.223 3.394 20 10 DGCDHN COc1cc(C[N@@H+](C)C2CC(C)C2)c([O-])cc1Br ZINC001236746865 1099769278 /nfs/dbraw/zinc/76/92/78/1099769278.db2.gz HPPOJJBDJNXOJK-UHFFFAOYSA-N 0 3 314.223 3.394 20 10 DGCDHN CC(C)[N@@H+](Cc1cc(O)c(Br)cc1[O-])CC1CC1 ZINC001236775529 1099778125 /nfs/dbraw/zinc/77/81/25/1099778125.db2.gz ODGPYQWEOFZXTF-UHFFFAOYSA-N 0 3 314.223 3.481 20 10 DGCDHN CC(C)[N@H+](Cc1cc(O)c(Br)cc1[O-])CC1CC1 ZINC001236775529 1099778137 /nfs/dbraw/zinc/77/81/37/1099778137.db2.gz ODGPYQWEOFZXTF-UHFFFAOYSA-N 0 3 314.223 3.481 20 10 DGCDHN CCN(Cc1cc(F)cc(C(=O)OC)c1)Cc1ccccc1O ZINC001236786397 1099783846 /nfs/dbraw/zinc/78/38/46/1099783846.db2.gz UONGMZZVYHIGJS-UHFFFAOYSA-N 0 3 317.360 3.340 20 10 DGCDHN CC[N@H+](Cc1cc(F)cc(C(=O)OC)c1)Cc1ccccc1[O-] ZINC001236786397 1099783854 /nfs/dbraw/zinc/78/38/54/1099783854.db2.gz UONGMZZVYHIGJS-UHFFFAOYSA-N 0 3 317.360 3.340 20 10 DGCDHN CC[N@@H+](Cc1cc(F)cc(C(=O)OC)c1)Cc1ccccc1[O-] ZINC001236786397 1099783859 /nfs/dbraw/zinc/78/38/59/1099783859.db2.gz UONGMZZVYHIGJS-UHFFFAOYSA-N 0 3 317.360 3.340 20 10 DGCDHN CCc1ccc(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c([O-])c1 ZINC001236785193 1099783911 /nfs/dbraw/zinc/78/39/11/1099783911.db2.gz GVZIOPUGQPWSIE-SJORKVTESA-N 0 3 322.408 3.122 20 10 DGCDHN CCc1ccc(C[N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c([O-])c1 ZINC001236785193 1099783917 /nfs/dbraw/zinc/78/39/17/1099783917.db2.gz GVZIOPUGQPWSIE-SJORKVTESA-N 0 3 322.408 3.122 20 10 DGCDHN CCc1ccc(C[NH+]2CCC(Oc3cccnc3)CC2)c([O-])c1 ZINC001236788771 1099785221 /nfs/dbraw/zinc/78/52/21/1099785221.db2.gz OTWUUDRQWZCMPS-UHFFFAOYSA-N 0 3 312.413 3.393 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC3(CCC(=O)CC3)CC2)c([O-])c1 ZINC001236822068 1099808603 /nfs/dbraw/zinc/80/86/03/1099808603.db2.gz XQHZRPSQJXOQAB-UHFFFAOYSA-N 0 3 317.429 3.435 20 10 DGCDHN C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236920170 1099876760 /nfs/dbraw/zinc/87/67/60/1099876760.db2.gz RZMDRSUPVLPZCN-CQSZACIVSA-N 0 3 308.853 3.409 20 10 DGCDHN Clc1cc(N2CCOCC2)ccc1CN1CCC2(CC2)C1 ZINC001236920977 1099879221 /nfs/dbraw/zinc/87/92/21/1099879221.db2.gz BFOVVNOJDFZBCT-UHFFFAOYSA-N 0 3 306.837 3.163 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2CCNC[C@H]2C(F)(F)F)c1 ZINC001236980543 1099900610 /nfs/dbraw/zinc/90/06/10/1099900610.db2.gz IKXWXEIKKLPTFM-AWEZNQCLSA-N 0 3 316.367 3.026 20 10 DGCDHN Cc1cc([O-])c(CN2Cc3ccccc3C[C@H]2C[NH3+])cc1Cl ZINC001237028720 1099933981 /nfs/dbraw/zinc/93/39/81/1099933981.db2.gz RPIPYVNWUSVAGD-INIZCTEOSA-N 0 3 316.832 3.240 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c([O-])c1 ZINC001237040190 1099938625 /nfs/dbraw/zinc/93/86/25/1099938625.db2.gz AWNCFSWESGDFEI-AWEZNQCLSA-N 0 3 303.324 3.360 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c([O-])c1 ZINC001237040190 1099938635 /nfs/dbraw/zinc/93/86/35/1099938635.db2.gz AWNCFSWESGDFEI-AWEZNQCLSA-N 0 3 303.324 3.360 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CCC(=O)c2ccccc2)c([O-])c1 ZINC001237044678 1099941016 /nfs/dbraw/zinc/94/10/16/1099941016.db2.gz RTIWAWHUNCOFOT-UHFFFAOYSA-N 0 3 313.397 3.496 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CCC(=O)c2ccccc2)c([O-])c1 ZINC001237044678 1099941024 /nfs/dbraw/zinc/94/10/24/1099941024.db2.gz RTIWAWHUNCOFOT-UHFFFAOYSA-N 0 3 313.397 3.496 20 10 DGCDHN CCOc1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC001237046850 1099942961 /nfs/dbraw/zinc/94/29/61/1099942961.db2.gz HBHFTERYTREYGO-QGZVFWFLSA-N 0 3 313.397 3.226 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC001237046850 1099942969 /nfs/dbraw/zinc/94/29/69/1099942969.db2.gz HBHFTERYTREYGO-QGZVFWFLSA-N 0 3 313.397 3.226 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1C2CCC1CC2 ZINC001237058228 1099949358 /nfs/dbraw/zinc/94/93/58/1099949358.db2.gz XDIFOURUZUTRKX-UHFFFAOYSA-N 0 3 301.308 3.460 20 10 DGCDHN C[NH+]1CCC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)CC1 ZINC001237085341 1099963314 /nfs/dbraw/zinc/96/33/14/1099963314.db2.gz YEMPXCGHVLHZJM-UHFFFAOYSA-N 0 3 315.244 3.227 20 10 DGCDHN CCO[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138777 1099988218 /nfs/dbraw/zinc/98/82/18/1099988218.db2.gz GNKVWDKOTGEVPA-CYBMUJFWSA-N 0 3 303.324 3.412 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001237138369 1099990315 /nfs/dbraw/zinc/99/03/15/1099990315.db2.gz AXKSOKOSGYPEAE-UHFFFAOYSA-N 0 3 315.335 3.414 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001237138369 1099990326 /nfs/dbraw/zinc/99/03/26/1099990326.db2.gz AXKSOKOSGYPEAE-UHFFFAOYSA-N 0 3 315.335 3.414 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237142284 1099993132 /nfs/dbraw/zinc/99/31/32/1099993132.db2.gz GJWOWIBYKRUFNT-IINYFYTJSA-N 0 3 301.308 3.022 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237142284 1099993143 /nfs/dbraw/zinc/99/31/43/1099993143.db2.gz GJWOWIBYKRUFNT-IINYFYTJSA-N 0 3 301.308 3.022 20 10 DGCDHN Cc1cccc(O)c1CN1CCN(Cc2ccc(F)cc2)CC1 ZINC001237483705 1100139645 /nfs/dbraw/zinc/13/96/45/1100139645.db2.gz RDPQBGGETRAHMR-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001237489375 1100141593 /nfs/dbraw/zinc/14/15/93/1100141593.db2.gz GNVNOUVBTHKYLO-AWEZNQCLSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001237489375 1100141599 /nfs/dbraw/zinc/14/15/99/1100141599.db2.gz GNVNOUVBTHKYLO-AWEZNQCLSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001237494735 1100145899 /nfs/dbraw/zinc/14/58/99/1100145899.db2.gz LDEDJFUIQYIQMX-MRXNPFEDSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001237494735 1100145908 /nfs/dbraw/zinc/14/59/08/1100145908.db2.gz LDEDJFUIQYIQMX-MRXNPFEDSA-N 0 3 301.361 3.493 20 10 DGCDHN C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])CC1COC1 ZINC001237646401 1100201853 /nfs/dbraw/zinc/20/18/53/1100201853.db2.gz OJSUDQIZVQSEFN-UHFFFAOYSA-N 0 3 301.361 3.277 20 10 DGCDHN C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])CC1COC1 ZINC001237646401 1100201868 /nfs/dbraw/zinc/20/18/68/1100201868.db2.gz OJSUDQIZVQSEFN-UHFFFAOYSA-N 0 3 301.361 3.277 20 10 DGCDHN COC[C@H]1CCC[N@@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237675887 1100210684 /nfs/dbraw/zinc/21/06/84/1100210684.db2.gz CYGUUYXLCYQSCR-GFCCVEGCSA-N 0 3 314.223 3.074 20 10 DGCDHN COC[C@H]1CCC[N@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237675887 1100210688 /nfs/dbraw/zinc/21/06/88/1100210688.db2.gz CYGUUYXLCYQSCR-GFCCVEGCSA-N 0 3 314.223 3.074 20 10 DGCDHN Cc1cc(Cl)cc(CN2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC001237681708 1100212715 /nfs/dbraw/zinc/21/27/15/1100212715.db2.gz PWJIRCHSMQTQRX-CYBMUJFWSA-N 0 3 323.742 3.101 20 10 DGCDHN CCOCC[NH+](CCOCC)Cc1cc(Cl)cc(C)c1[O-] ZINC001237686820 1100214056 /nfs/dbraw/zinc/21/40/56/1100214056.db2.gz PXYONVRYYISBPK-UHFFFAOYSA-N 0 3 315.841 3.229 20 10 DGCDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237686248 1100214579 /nfs/dbraw/zinc/21/45/79/1100214579.db2.gz JIGHCNGVWROPRA-INIZCTEOSA-N 0 3 311.809 3.129 20 10 DGCDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237686248 1100214585 /nfs/dbraw/zinc/21/45/85/1100214585.db2.gz JIGHCNGVWROPRA-INIZCTEOSA-N 0 3 311.809 3.129 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1[O-] ZINC001237687452 1100214676 /nfs/dbraw/zinc/21/46/76/1100214676.db2.gz BQHFBQDJTPWUPM-INIZCTEOSA-N 0 3 309.793 3.026 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c1[O-] ZINC001237687452 1100214681 /nfs/dbraw/zinc/21/46/81/1100214681.db2.gz BQHFBQDJTPWUPM-INIZCTEOSA-N 0 3 309.793 3.026 20 10 DGCDHN Cc1cc(Cl)cc(CN2CCC[C@]3(CCC(=O)O3)C2)c1O ZINC001237687452 1100214686 /nfs/dbraw/zinc/21/46/86/1100214686.db2.gz BQHFBQDJTPWUPM-INIZCTEOSA-N 0 3 309.793 3.026 20 10 DGCDHN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238063885 1100347487 /nfs/dbraw/zinc/34/74/87/1100347487.db2.gz MQLPDGVORNMVKS-GOSISDBHSA-N 0 3 323.408 3.395 20 10 DGCDHN CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cc(F)cc(C)c2[O-])C1 ZINC001238063885 1100347497 /nfs/dbraw/zinc/34/74/97/1100347497.db2.gz MQLPDGVORNMVKS-GOSISDBHSA-N 0 3 323.408 3.395 20 10 DGCDHN Cc1cc(F)cc(CN2CCC(Oc3ccccn3)CC2)c1O ZINC001238063447 1100349095 /nfs/dbraw/zinc/34/90/95/1100349095.db2.gz WMAHOPIFSHYKJG-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1ccnn1C1CC[NH+](Cc2cc(F)cc(C)c2[O-])CC1 ZINC001238066767 1100349248 /nfs/dbraw/zinc/34/92/48/1100349248.db2.gz KSMATLCGKOOQFI-UHFFFAOYSA-N 0 3 303.381 3.182 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](Cc1cccc(-c3cc[nH]n3)c1)CC2 ZINC001238203032 1100389750 /nfs/dbraw/zinc/38/97/50/1100389750.db2.gz LPTKXVNFIMTJON-UHFFFAOYSA-N 0 3 305.381 3.341 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](Cc1cccc(-c3cc[nH]n3)c1)CC2 ZINC001238203032 1100389760 /nfs/dbraw/zinc/38/97/60/1100389760.db2.gz LPTKXVNFIMTJON-UHFFFAOYSA-N 0 3 305.381 3.341 20 10 DGCDHN CC1(C)CO[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC001192012752 1100561177 /nfs/dbraw/zinc/56/11/77/1100561177.db2.gz JXWSEVNAYDYOAR-IAGOWNOFSA-N 0 3 319.445 3.188 20 10 DGCDHN CC1(C)CO[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC001192012752 1100561182 /nfs/dbraw/zinc/56/11/82/1100561182.db2.gz JXWSEVNAYDYOAR-IAGOWNOFSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887132 1101414755 /nfs/dbraw/zinc/41/47/55/1101414755.db2.gz FWACKQCCARECAJ-YGRLFVJLSA-N 0 3 311.809 3.248 20 10 DGCDHN CCCOc1ccc(CNCc2ccc3c(c2)CCCO3)cn1 ZINC001199365409 1102122569 /nfs/dbraw/zinc/12/25/69/1102122569.db2.gz IMRPGZJNCHYPEO-UHFFFAOYSA-N 0 3 312.413 3.485 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000686281609 1103041544 /nfs/dbraw/zinc/04/15/44/1103041544.db2.gz VYSFQCFYPWEOKN-CHWSQXEVSA-N 0 3 320.433 3.298 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000686281612 1103041926 /nfs/dbraw/zinc/04/19/26/1103041926.db2.gz VYSFQCFYPWEOKN-STQMWFEESA-N 0 3 320.433 3.298 20 10 DGCDHN Oc1cccc2c1[C@H](NCc1cc(OCC(F)F)ccn1)CC2 ZINC001326623728 1103388446 /nfs/dbraw/zinc/38/84/46/1103388446.db2.gz TYHOTPRIYVKXCY-CQSZACIVSA-N 0 3 320.339 3.208 20 10 DGCDHN CCC(O)(CC)CCNCc1cc(F)c(N(C)C)cc1F ZINC001328772559 1104062959 /nfs/dbraw/zinc/06/29/59/1104062959.db2.gz UUSDMZZQMXYUHF-UHFFFAOYSA-N 0 3 300.393 3.062 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001275275998 1104700909 /nfs/dbraw/zinc/70/09/09/1104700909.db2.gz FKGMOIFWUMXXHH-UHFFFAOYSA-N 0 3 306.837 3.248 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001275275998 1104700916 /nfs/dbraw/zinc/70/09/16/1104700916.db2.gz FKGMOIFWUMXXHH-UHFFFAOYSA-N 0 3 306.837 3.248 20 10 DGCDHN CC[N@H+](Cc1cccs1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249213865 1105247867 /nfs/dbraw/zinc/24/78/67/1105247867.db2.gz AHXZLTLZBLQFAP-UHFFFAOYSA-N 0 3 319.426 3.191 20 10 DGCDHN CC[N@@H+](Cc1cccs1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249213865 1105247870 /nfs/dbraw/zinc/24/78/70/1105247870.db2.gz AHXZLTLZBLQFAP-UHFFFAOYSA-N 0 3 319.426 3.191 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001249217866 1105248532 /nfs/dbraw/zinc/24/85/32/1105248532.db2.gz SZXMEXOJPFXBMY-UHFFFAOYSA-N 0 3 317.429 3.264 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001249217866 1105248535 /nfs/dbraw/zinc/24/85/35/1105248535.db2.gz SZXMEXOJPFXBMY-UHFFFAOYSA-N 0 3 317.429 3.264 20 10 DGCDHN C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224389 1105249891 /nfs/dbraw/zinc/24/98/91/1105249891.db2.gz YHQLYOURHXNJTC-UONOGXRCSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249224389 1105249895 /nfs/dbraw/zinc/24/98/95/1105249895.db2.gz YHQLYOURHXNJTC-UONOGXRCSA-N 0 3 317.429 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@]4(CCO4)C3)ccc2O1 ZINC001249252889 1105257709 /nfs/dbraw/zinc/25/77/09/1105257709.db2.gz ZKHCIGCQBBQIPF-IBGZPJMESA-N 0 3 315.413 3.331 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@]4(CCO4)C3)ccc2O1 ZINC001249252889 1105257712 /nfs/dbraw/zinc/25/77/12/1105257712.db2.gz ZKHCIGCQBBQIPF-IBGZPJMESA-N 0 3 315.413 3.331 20 10 DGCDHN C[N@@H+]1CCC[C@]2(CCCN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276379920 1105535630 /nfs/dbraw/zinc/53/56/30/1105535630.db2.gz BMGIJPROFGINNH-KRWDZBQOSA-N 0 3 308.853 3.353 20 10 DGCDHN C[N@H+]1CCC[C@]2(CCCN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276379920 1105535634 /nfs/dbraw/zinc/53/56/34/1105535634.db2.gz BMGIJPROFGINNH-KRWDZBQOSA-N 0 3 308.853 3.353 20 10 DGCDHN Cc1ccc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1 ZINC001250773277 1105580697 /nfs/dbraw/zinc/58/06/97/1105580697.db2.gz LKEWHEPSODKKRV-UHFFFAOYSA-N 0 3 306.413 3.290 20 10 DGCDHN CCOC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C1 ZINC001255353880 1106231118 /nfs/dbraw/zinc/23/11/18/1106231118.db2.gz QADGLMYITJHCSI-LSDHHAIUSA-N 0 3 305.418 3.221 20 10 DGCDHN Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])n1 ZINC001320161983 1106909253 /nfs/dbraw/zinc/90/92/53/1106909253.db2.gz UVJUBZZVALQOAB-MRXNPFEDSA-N 0 3 315.392 3.311 20 10 DGCDHN Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])n1 ZINC001320161983 1106909263 /nfs/dbraw/zinc/90/92/63/1106909263.db2.gz UVJUBZZVALQOAB-MRXNPFEDSA-N 0 3 315.392 3.311 20 10 DGCDHN CC(C)c1noc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC001320253437 1106938735 /nfs/dbraw/zinc/93/87/35/1106938735.db2.gz WAJYLXOYYAKOMV-ZYHUDNBSSA-N 0 3 319.380 3.418 20 10 DGCDHN CCOC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001261814337 1107534307 /nfs/dbraw/zinc/53/43/07/1107534307.db2.gz YOSWHGAGUHAPDD-OAHLLOKOSA-N 0 3 300.393 3.182 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCCCS2)cc1F ZINC001308342529 1111418883 /nfs/dbraw/zinc/41/88/83/1111418883.db2.gz IKBYGNLPFHWGDP-LBPRGKRZSA-N 0 3 300.418 3.406 20 10 DGCDHN Cn1cc(C[NH2+]Cc2cc(F)ccc2[O-])c(-c2ccccc2)n1 ZINC001308681664 1111459614 /nfs/dbraw/zinc/45/96/14/1111459614.db2.gz FEFHWGIYKXQEJE-UHFFFAOYSA-N 0 3 311.360 3.222 20 10 DGCDHN CCN(Cc1cccs1)Cc1cc(OC)c(OC)cc1O ZINC000179604141 432064695 /nfs/dbraw/zinc/06/46/95/432064695.db2.gz GHPPIIGTHPDYLZ-UHFFFAOYSA-N 0 3 307.415 3.493 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)Cc2ccccc2[O-])cc1OC ZINC000091974470 193134696 /nfs/dbraw/zinc/13/46/96/193134696.db2.gz CQPPMYWUVDDUOA-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)Cc2ccccc2[O-])cc1OC ZINC000091974470 193134697 /nfs/dbraw/zinc/13/46/97/193134697.db2.gz CQPPMYWUVDDUOA-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1OCCc2ccccc21 ZINC000272230413 130010817 /nfs/dbraw/zinc/01/08/17/130010817.db2.gz DPWQEAOTXNQYKR-SFHVURJKSA-N 0 3 301.361 3.277 20 10 DGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1OCCc2ccccc21 ZINC000272230413 130010820 /nfs/dbraw/zinc/01/08/20/130010820.db2.gz DPWQEAOTXNQYKR-SFHVURJKSA-N 0 3 301.361 3.277 20 10 DGCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000272659795 130050800 /nfs/dbraw/zinc/05/08/00/130050800.db2.gz RFZCSXFBFXGTMC-KGLIPLIRSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000272659795 130050801 /nfs/dbraw/zinc/05/08/01/130050801.db2.gz RFZCSXFBFXGTMC-KGLIPLIRSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOC1 ZINC000273192003 130096624 /nfs/dbraw/zinc/09/66/24/130096624.db2.gz PZVMHDBCASFGKW-LJQANCHMSA-N 0 3 313.397 3.240 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c([O-])c1 ZINC000273376119 130114800 /nfs/dbraw/zinc/11/48/00/130114800.db2.gz HIXWYZRBSDWBMR-HNNXBMFYSA-N 0 3 322.412 3.191 20 10 DGCDHN C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(F)ccc1[O-] ZINC000273418552 130119710 /nfs/dbraw/zinc/11/97/10/130119710.db2.gz IYWMACVZZCKONG-XJKSGUPXSA-N 0 3 303.377 3.176 20 10 DGCDHN Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000273443709 130121851 /nfs/dbraw/zinc/12/18/51/130121851.db2.gz ZFFRFKNXGCBZKG-HNNXBMFYSA-N 0 3 312.413 3.090 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H](O)c1cccc(F)c1 ZINC000273533279 130133870 /nfs/dbraw/zinc/13/38/70/130133870.db2.gz WUXVQHMWWYFPGO-WVQJBOLRSA-N 0 3 307.340 3.443 20 10 DGCDHN Cc1ccc(O)c([C@H](C)NCC(=O)N(C)C2CCCCC2)c1 ZINC000273560538 130136353 /nfs/dbraw/zinc/13/63/53/130136353.db2.gz IBRGKFVXBNLOBX-AWEZNQCLSA-N 0 3 304.434 3.142 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c([O-])c1C ZINC000273571672 130138258 /nfs/dbraw/zinc/13/82/58/130138258.db2.gz KVLXMAGQXRQWQY-OAHLLOKOSA-N 0 3 318.461 3.308 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])[C@@]12CCCO2 ZINC000274146216 130211028 /nfs/dbraw/zinc/21/10/28/130211028.db2.gz DSXYHJBVZXATLG-RUGDWHBFSA-N 0 3 305.418 3.078 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000285021600 131131890 /nfs/dbraw/zinc/13/18/90/131131890.db2.gz KAEVDTDHNOWZMU-AEFFLSMTSA-N 0 3 305.418 3.324 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000285021600 131131892 /nfs/dbraw/zinc/13/18/92/131131892.db2.gz KAEVDTDHNOWZMU-AEFFLSMTSA-N 0 3 305.418 3.324 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCOc2ncccc2F)c([O-])c1 ZINC000285363920 131160508 /nfs/dbraw/zinc/16/05/08/131160508.db2.gz VSZQXSKDVMQRNZ-CYBMUJFWSA-N 0 3 304.365 3.273 20 10 DGCDHN COc1cccc(CNCc2ccc(SC)c(OC)c2)c1O ZINC000289423415 131385648 /nfs/dbraw/zinc/38/56/48/131385648.db2.gz JNCHXHQOYJGIAM-UHFFFAOYSA-N 0 3 319.426 3.421 20 10 DGCDHN Cc1ccc(O)c(CN[C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000290144797 131457640 /nfs/dbraw/zinc/45/76/40/131457640.db2.gz OGPHHDLXSMVGKA-QGZVFWFLSA-N 0 3 302.393 3.232 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCN(c3ccccc3F)C1)CC2 ZINC000297388442 132013542 /nfs/dbraw/zinc/01/35/42/132013542.db2.gz RPBTXZFQGYAODD-GDBMZVCRSA-N 0 3 312.388 3.387 20 10 DGCDHN CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297613707 132025360 /nfs/dbraw/zinc/02/53/60/132025360.db2.gz IPOACQGZUGFTJN-MRXNPFEDSA-N 0 3 316.445 3.006 20 10 DGCDHN COc1ccc(OC)c(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297918858 132040431 /nfs/dbraw/zinc/04/04/31/132040431.db2.gz XBFGKBCGBSPNTF-MRXNPFEDSA-N 0 3 313.397 3.229 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086254093 401177486 /nfs/dbraw/zinc/17/74/86/401177486.db2.gz XABHNMZNVWVTGY-MRXNPFEDSA-N 0 3 319.836 3.128 20 10 DGCDHN CN(Cc1ccccc1O)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000089912291 401243014 /nfs/dbraw/zinc/24/30/14/401243014.db2.gz QZQTYCXXOIAZPS-GOSISDBHSA-N 0 3 324.424 3.015 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c([O-])c1 ZINC000185687513 292196428 /nfs/dbraw/zinc/19/64/28/292196428.db2.gz RTJDHJQVOGNBNN-ZIAGYGMSSA-N 0 3 315.392 3.164 20 10 DGCDHN C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183546787 228374077 /nfs/dbraw/zinc/37/40/77/228374077.db2.gz GMTOWLBJTVGBHO-LBPRGKRZSA-N 0 3 308.422 3.346 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(CO)c1 ZINC000270541371 432256586 /nfs/dbraw/zinc/25/65/86/432256586.db2.gz XMFABWBSFXJASO-ZDUSSCGKSA-N 0 3 302.393 3.235 20 10 DGCDHN CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185338429 275491148 /nfs/dbraw/zinc/49/11/48/275491148.db2.gz KEBWMMUTYWYGON-LBPRGKRZSA-N 0 3 316.376 3.383 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cc1OC ZINC000271955131 277833537 /nfs/dbraw/zinc/83/35/37/277833537.db2.gz CIOSQJVRUCNABB-HUUCEWRRSA-N 0 3 323.433 3.093 20 10 DGCDHN COc1cccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1[O-] ZINC000289972029 278012480 /nfs/dbraw/zinc/01/24/80/278012480.db2.gz YYOFOVFJNIILCV-QGZVFWFLSA-N 0 3 319.426 3.040 20 10 DGCDHN CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534714 288040312 /nfs/dbraw/zinc/04/03/12/288040312.db2.gz PCOKPDIZORSUQK-PBHICJAKSA-N 0 3 324.440 3.073 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1ccccn1)C[C@H]1CCCO1 ZINC000111232946 431198546 /nfs/dbraw/zinc/19/85/46/431198546.db2.gz MZFNTZPHFUWAEA-GOSISDBHSA-N 0 3 312.413 3.011 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1ccccn1)C[C@H]1CCCO1 ZINC000111232946 431198550 /nfs/dbraw/zinc/19/85/50/431198550.db2.gz MZFNTZPHFUWAEA-GOSISDBHSA-N 0 3 312.413 3.011 20 10 DGCDHN O[C@@H](CNCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000077325652 431584899 /nfs/dbraw/zinc/58/48/99/431584899.db2.gz NZFIWYOZMISWCT-INIZCTEOSA-N 0 3 303.789 3.098 20 10 DGCDHN CC(C)OCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000119488924 431698970 /nfs/dbraw/zinc/69/89/70/431698970.db2.gz YLJQGZDGVNJHJI-KRWDZBQOSA-N 0 3 307.434 3.188 20 10 DGCDHN CC(C)OCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000119488924 431698973 /nfs/dbraw/zinc/69/89/73/431698973.db2.gz YLJQGZDGVNJHJI-KRWDZBQOSA-N 0 3 307.434 3.188 20 10 DGCDHN C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000183515707 432301020 /nfs/dbraw/zinc/30/10/20/432301020.db2.gz CAGKSOVQFGEVSO-HIFRSBDPSA-N 0 3 310.397 3.128 20 10 DGCDHN CC(C)(CCO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183156774 432263637 /nfs/dbraw/zinc/26/36/37/432263637.db2.gz LHRTWODGAPPLRY-UHFFFAOYSA-N 0 3 315.413 3.222 20 10 DGCDHN NC(=O)CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271056783 432323355 /nfs/dbraw/zinc/32/33/55/432323355.db2.gz ANAJVUPAAAZWJC-UHFFFAOYSA-N 0 3 324.424 3.147 20 10 DGCDHN CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271052367 432323438 /nfs/dbraw/zinc/32/34/38/432323438.db2.gz WXGVUAAPHNVGAQ-GOSISDBHSA-N 0 3 324.424 3.112 20 10 DGCDHN CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271052367 432323442 /nfs/dbraw/zinc/32/34/42/432323442.db2.gz WXGVUAAPHNVGAQ-GOSISDBHSA-N 0 3 324.424 3.112 20 10 DGCDHN C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000183599513 432307248 /nfs/dbraw/zinc/30/72/48/432307248.db2.gz DOAHSWWMIBFGDF-ZDUSSCGKSA-N 0 3 316.376 3.002 20 10 DGCDHN COc1cc(NCC[NH2+][C@H](C)c2ccccc2[O-])cc(OC)c1 ZINC000183626115 432310144 /nfs/dbraw/zinc/31/01/44/432310144.db2.gz VHUUJFCPWWKZAN-CYBMUJFWSA-N 0 3 316.401 3.172 20 10 DGCDHN CN(C)c1ccc(CN2CCCC3(CCOCC3)C2)cc1F ZINC000271210713 432354766 /nfs/dbraw/zinc/35/47/66/432354766.db2.gz YGZUAJDEPKSRRJ-UHFFFAOYSA-N 0 3 306.425 3.284 20 10 DGCDHN C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000184305485 432377739 /nfs/dbraw/zinc/37/77/39/432377739.db2.gz XEGFMPQYYNKISI-PONJGIIJSA-N 0 3 322.518 3.485 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NC[C@](C)(O)C(F)(F)F)cc1 ZINC000271491085 432407188 /nfs/dbraw/zinc/40/71/88/432407188.db2.gz KUBCALNAESEEDC-FZMZJTMJSA-N 0 3 304.356 3.107 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)c1[O-] ZINC000271922367 432428278 /nfs/dbraw/zinc/42/82/78/432428278.db2.gz CGDVXMNWKOMSON-XIKOKIGWSA-N 0 3 319.376 3.406 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+](C)CCc2ccccn2)c1[O-] ZINC000184745035 432428960 /nfs/dbraw/zinc/42/89/60/432428960.db2.gz NCAXFZJMKRWLKW-UHFFFAOYSA-N 0 3 306.793 3.124 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCc2ccccn2)c1[O-] ZINC000184745035 432428963 /nfs/dbraw/zinc/42/89/63/432428963.db2.gz NCAXFZJMKRWLKW-UHFFFAOYSA-N 0 3 306.793 3.124 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000271952785 432431266 /nfs/dbraw/zinc/43/12/66/432431266.db2.gz FATGXXDIXAAZMG-DOTOQJQBSA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)c1ccc(F)cc1[O-] ZINC000184936787 432447402 /nfs/dbraw/zinc/44/74/02/432447402.db2.gz BWWGQLSKXPMMFP-CYBMUJFWSA-N 0 3 302.393 3.444 20 10 DGCDHN C[C@@H](c1ccsc1)N1CCN(Cc2ccccc2O)CC1 ZINC000184971026 432451074 /nfs/dbraw/zinc/45/10/74/432451074.db2.gz IAQGPICBZUJOHA-AWEZNQCLSA-N 0 3 302.443 3.333 20 10 DGCDHN COc1ccc(OC)c(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000271711974 432421970 /nfs/dbraw/zinc/42/19/70/432421970.db2.gz ONFIVJMPDRMSSO-GFCCVEGCSA-N 0 3 317.385 3.269 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1[O-] ZINC000271713666 432422752 /nfs/dbraw/zinc/42/27/52/432422752.db2.gz OTTVJHXODNGPFM-PBHICJAKSA-N 0 3 319.376 3.012 20 10 DGCDHN COc1cc(CN(C)Cc2cccc(C)c2O)cc(OC)c1 ZINC000271744635 432424355 /nfs/dbraw/zinc/42/43/55/432424355.db2.gz SIDAGWPRWGGSQJ-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1OC ZINC000271840661 432426062 /nfs/dbraw/zinc/42/60/62/432426062.db2.gz QPAOJLMUSFHOPL-SUMWQHHRSA-N 0 3 323.433 3.093 20 10 DGCDHN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000185418853 432499401 /nfs/dbraw/zinc/49/94/01/432499401.db2.gz BQQCPPQKMLJQLE-ACJLOTCBSA-N 0 3 301.386 3.093 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442285 432500858 /nfs/dbraw/zinc/50/08/58/432500858.db2.gz CQFMXTSAMCDACV-ZIAGYGMSSA-N 0 3 320.433 3.361 20 10 DGCDHN Cc1cccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1[O-] ZINC000185581109 432511243 /nfs/dbraw/zinc/51/12/43/432511243.db2.gz XFCNVXFDGLVXGK-HNNXBMFYSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1[O-] ZINC000185581109 432511248 /nfs/dbraw/zinc/51/12/48/432511248.db2.gz XFCNVXFDGLVXGK-HNNXBMFYSA-N 0 3 305.418 3.254 20 10 DGCDHN CCCCNC(=O)C1([NH2+]Cc2ccccc2[O-])CCCCC1 ZINC000154629094 432511412 /nfs/dbraw/zinc/51/14/12/432511412.db2.gz HVHXEZIIPMQHNB-UHFFFAOYSA-N 0 3 304.434 3.101 20 10 DGCDHN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])cn1 ZINC000185084138 432464048 /nfs/dbraw/zinc/46/40/48/432464048.db2.gz LBLCQZVKUQOQHI-CQSZACIVSA-N 0 3 322.412 3.441 20 10 DGCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185129793 432470774 /nfs/dbraw/zinc/47/07/74/432470774.db2.gz VXDPZPWAFMSLNX-HOTGVXAUSA-N 0 3 315.413 3.100 20 10 DGCDHN COc1ccccc1C[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000263655683 432563312 /nfs/dbraw/zinc/56/33/12/432563312.db2.gz FTEPTDCBPNOJGD-ZDUSSCGKSA-N 0 3 301.386 3.130 20 10 DGCDHN CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000185658190 432520500 /nfs/dbraw/zinc/52/05/00/432520500.db2.gz IWIUOZRMGAAOGR-GCAAKWKVSA-N 0 3 313.438 3.262 20 10 DGCDHN CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000185657372 432520903 /nfs/dbraw/zinc/52/09/03/432520903.db2.gz UWXNLBUGRIUJOJ-ZYKFEASCSA-N 0 3 309.475 3.431 20 10 DGCDHN Cc1cccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1[O-] ZINC000155070853 432536566 /nfs/dbraw/zinc/53/65/66/432536566.db2.gz IMCMJIVGRPOARP-KRWDZBQOSA-N 0 3 305.805 3.351 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000186189758 432566358 /nfs/dbraw/zinc/56/63/58/432566358.db2.gz RZMZDNBRABRPQU-SGTLLEGYSA-N 0 3 319.376 3.098 20 10 DGCDHN C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000186190310 432566916 /nfs/dbraw/zinc/56/69/16/432566916.db2.gz WNSXCOUTFNGOIM-DIFFPNOSSA-N 0 3 307.340 3.229 20 10 DGCDHN CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604898 432617418 /nfs/dbraw/zinc/61/74/18/432617418.db2.gz SZXDLRBZOVLKPJ-KGLIPLIRSA-N 0 3 321.421 3.071 20 10 DGCDHN CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604898 432617421 /nfs/dbraw/zinc/61/74/21/432617421.db2.gz SZXDLRBZOVLKPJ-KGLIPLIRSA-N 0 3 321.421 3.071 20 10 DGCDHN CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604898 432617426 /nfs/dbraw/zinc/61/74/26/432617426.db2.gz SZXDLRBZOVLKPJ-KGLIPLIRSA-N 0 3 321.421 3.071 20 10 DGCDHN CC(C)C[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273376986 432592451 /nfs/dbraw/zinc/59/24/51/432592451.db2.gz HJNCPAMRDOKUCU-ZDUSSCGKSA-N 0 3 321.421 3.071 20 10 DGCDHN COCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000186912494 432636305 /nfs/dbraw/zinc/63/63/05/432636305.db2.gz YAWWLVFRKQCKPI-JTQLQIEISA-N 0 3 302.212 3.150 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1[O-] ZINC000186919326 432636644 /nfs/dbraw/zinc/63/66/44/432636644.db2.gz NPAOWVWPSMTAEQ-ZYHUDNBSSA-N 0 3 314.223 3.293 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227686805 432713568 /nfs/dbraw/zinc/71/35/68/432713568.db2.gz JZIKRHSPFKMVSO-CHWSQXEVSA-N 0 3 308.422 3.264 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000227684601 432713796 /nfs/dbraw/zinc/71/37/96/432713796.db2.gz UWIZBLKDBCXMJW-QWHCGFSZSA-N 0 3 308.422 3.264 20 10 DGCDHN C[C@H](NCCC(=O)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000178294588 432716309 /nfs/dbraw/zinc/71/63/09/432716309.db2.gz DAOGXFMBGLUEPH-INIZCTEOSA-N 0 3 317.477 3.196 20 10 DGCDHN COCCC(C)(C)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230943402 432731423 /nfs/dbraw/zinc/73/14/23/432731423.db2.gz IUEXNAZDKBLWGM-UHFFFAOYSA-N 0 3 301.814 3.207 20 10 DGCDHN COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1O ZINC000277260168 432831357 /nfs/dbraw/zinc/83/13/57/432831357.db2.gz QKKBBYSWWJEZBE-CYBMUJFWSA-N 0 3 301.386 3.217 20 10 DGCDHN CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc2c(cc1O)OCO2 ZINC000276277837 432791453 /nfs/dbraw/zinc/79/14/53/432791453.db2.gz YWXMMMPSFKBNCK-CYBMUJFWSA-N 0 3 317.307 3.284 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)CC2 ZINC000296247269 432888269 /nfs/dbraw/zinc/88/82/69/432888269.db2.gz BCEYGGXIDIWEES-GOEBONIOSA-N 0 3 321.779 3.495 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]CCOCC(F)(F)C(F)F)cc1C ZINC000277484369 432854642 /nfs/dbraw/zinc/85/46/42/432854642.db2.gz MWMWAVVNOXMFOE-UHFFFAOYSA-N 0 3 309.303 3.016 20 10 DGCDHN C[C@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000296877235 432935050 /nfs/dbraw/zinc/93/50/50/432935050.db2.gz OBRHNVPBDITBLP-YJBOKZPZSA-N 0 3 301.361 3.016 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1COC3(CCCCC3)O1)CC2 ZINC000296979576 432944783 /nfs/dbraw/zinc/94/47/83/432944783.db2.gz RVVGHKSPBQBZEK-HUUCEWRRSA-N 0 3 303.402 3.045 20 10 DGCDHN COC[C@H]([NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)[C@@H]1CCCO1 ZINC000278838950 432907329 /nfs/dbraw/zinc/90/73/29/432907329.db2.gz PKECFUCEGVMFMS-IXDGSTSKSA-N 0 3 319.445 3.116 20 10 DGCDHN C[C@H](c1cc(F)ccc1[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296473748 432911700 /nfs/dbraw/zinc/91/17/00/432911700.db2.gz NWKCNZQLWZXDSY-OLZOCXBDSA-N 0 3 322.424 3.206 20 10 DGCDHN C[C@H](c1cc(F)ccc1[O-])[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296473748 432911703 /nfs/dbraw/zinc/91/17/03/432911703.db2.gz NWKCNZQLWZXDSY-OLZOCXBDSA-N 0 3 322.424 3.206 20 10 DGCDHN CCOc1cccc(CN2CC(COc3ccccc3)C2)c1O ZINC000297506779 432997120 /nfs/dbraw/zinc/99/71/20/432997120.db2.gz WUIDGCKUCFCUJQ-UHFFFAOYSA-N 0 3 313.397 3.302 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1([C@H](O)c3ccccc3)CC1)CC2 ZINC000297047281 432952478 /nfs/dbraw/zinc/95/24/78/432952478.db2.gz VLCRVGJOFBQBAZ-QFBILLFUSA-N 0 3 309.409 3.483 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1([C@@H](O)c3ccccc3)CC1)CC2 ZINC000297047273 432952764 /nfs/dbraw/zinc/95/27/64/432952764.db2.gz VLCRVGJOFBQBAZ-LPHOPBHVSA-N 0 3 309.409 3.483 20 10 DGCDHN CC[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(C)cc1[O-] ZINC000280073918 433001696 /nfs/dbraw/zinc/00/16/96/433001696.db2.gz LDXBCKSDMBKQJT-DOTOQJQBSA-N 0 3 308.491 3.179 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000280126264 433003100 /nfs/dbraw/zinc/00/31/00/433003100.db2.gz ORETTXZTZBXNQP-MJGOQNOKSA-N 0 3 315.413 3.484 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000280126266 433003744 /nfs/dbraw/zinc/00/37/44/433003744.db2.gz ORETTXZTZBXNQP-PKOBYXMFSA-N 0 3 315.413 3.484 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c3ccccc13)CC2 ZINC000297671383 433005528 /nfs/dbraw/zinc/00/55/28/433005528.db2.gz LAFNGMONCPICRZ-QAPCUYQASA-N 0 3 322.408 3.054 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)c1 ZINC000290183264 433009028 /nfs/dbraw/zinc/00/90/28/433009028.db2.gz FMGAISKWEYJRAR-JCGVRSQUSA-N 0 3 301.386 3.174 20 10 DGCDHN CN(C)C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000290201595 433011504 /nfs/dbraw/zinc/01/15/04/433011504.db2.gz USKDMYNQYPTTEN-IBGZPJMESA-N 0 3 315.436 3.284 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@]2(C)CCCO)c1[O-] ZINC000290301377 433028986 /nfs/dbraw/zinc/02/89/86/433028986.db2.gz BHOFAPFJPDXNKK-MRXNPFEDSA-N 0 3 313.825 3.181 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)CCCO)c1[O-] ZINC000290301377 433028988 /nfs/dbraw/zinc/02/89/88/433028988.db2.gz BHOFAPFJPDXNKK-MRXNPFEDSA-N 0 3 313.825 3.181 20 10 DGCDHN COc1cc([O-])c(C[NH2+]CCCc2ccccc2F)cc1OC ZINC000280325370 433035615 /nfs/dbraw/zinc/03/56/15/433035615.db2.gz QQQFLCQBXGHETP-UHFFFAOYSA-N 0 3 319.376 3.271 20 10 DGCDHN CCCn1ccnc1CCC[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000290471183 433060386 /nfs/dbraw/zinc/06/03/86/433060386.db2.gz NMZHZPDWKPPCRC-UHFFFAOYSA-N 0 3 317.433 3.072 20 10 DGCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000290471183 433060393 /nfs/dbraw/zinc/06/03/93/433060393.db2.gz NMZHZPDWKPPCRC-UHFFFAOYSA-N 0 3 317.433 3.072 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c([O-])c1 ZINC000290995178 433216108 /nfs/dbraw/zinc/21/61/08/433216108.db2.gz VMEFAQHNXNHOFJ-MRXNPFEDSA-N 0 3 315.417 3.133 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c([O-])c1 ZINC000290995178 433216119 /nfs/dbraw/zinc/21/61/19/433216119.db2.gz VMEFAQHNXNHOFJ-MRXNPFEDSA-N 0 3 315.417 3.133 20 10 DGCDHN COCCOCc1ccc(C[NH2+]Cc2cccc(C)c2[O-])cc1 ZINC000291038574 433217873 /nfs/dbraw/zinc/21/78/73/433217873.db2.gz KHFDNKVHTZEVAU-UHFFFAOYSA-N 0 3 315.413 3.153 20 10 DGCDHN COCCOCc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000291296496 433233056 /nfs/dbraw/zinc/23/30/56/433233056.db2.gz SCIGDQCDFHYTAN-OAHLLOKOSA-N 0 3 315.413 3.406 20 10 DGCDHN CCOc1ccc(O)c(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000291542626 433262580 /nfs/dbraw/zinc/26/25/80/433262580.db2.gz LKLVJNYKPSCJCE-IRXDYDNUSA-N 0 3 305.418 3.180 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000375301379 433418291 /nfs/dbraw/zinc/41/82/91/433418291.db2.gz GHFHITNXWRFDKY-MRXNPFEDSA-N 0 3 311.809 3.057 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000375301379 433418300 /nfs/dbraw/zinc/41/83/00/433418300.db2.gz GHFHITNXWRFDKY-MRXNPFEDSA-N 0 3 311.809 3.057 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292802131 433598861 /nfs/dbraw/zinc/59/88/61/433598861.db2.gz NRPGJYJAQPNBHQ-MRXNPFEDSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292802131 433598868 /nfs/dbraw/zinc/59/88/68/433598868.db2.gz NRPGJYJAQPNBHQ-MRXNPFEDSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000292856272 433601356 /nfs/dbraw/zinc/60/13/56/433601356.db2.gz UTHNVAJBLXTUGX-APPDUMDISA-N 0 3 319.426 3.254 20 10 DGCDHN CN(C)c1ccc(CN[C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000292900984 433605592 /nfs/dbraw/zinc/60/55/92/433605592.db2.gz DNLWDALQIKFURF-KRWDZBQOSA-N 0 3 313.449 3.282 20 10 DGCDHN CN(C)c1ccc(C[NH2+][C@H](c2nnc[n-]2)C2CCCCC2)cc1 ZINC000292900984 433605601 /nfs/dbraw/zinc/60/56/01/433605601.db2.gz DNLWDALQIKFURF-KRWDZBQOSA-N 0 3 313.449 3.282 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccccc1[O-] ZINC000293564762 433781919 /nfs/dbraw/zinc/78/19/19/433781919.db2.gz AUOAEWJODDTZFK-HNNXBMFYSA-N 0 3 312.413 3.080 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1C ZINC000376938589 433842227 /nfs/dbraw/zinc/84/22/27/433842227.db2.gz ZVJWQRBKWFMJLV-HXUWFJFHSA-N 0 3 322.408 3.105 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1C ZINC000376938589 433842239 /nfs/dbraw/zinc/84/22/39/433842239.db2.gz ZVJWQRBKWFMJLV-HXUWFJFHSA-N 0 3 322.408 3.105 20 10 DGCDHN Cc1nnsc1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000293833709 433886176 /nfs/dbraw/zinc/88/61/76/433886176.db2.gz WPIZUXSUXZCUGS-SNVBAGLBSA-N 0 3 303.431 3.282 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000377834122 434017251 /nfs/dbraw/zinc/01/72/51/434017251.db2.gz JEKZWTZMFQFTOX-HOTGVXAUSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000377834122 434017261 /nfs/dbraw/zinc/01/72/61/434017261.db2.gz JEKZWTZMFQFTOX-HOTGVXAUSA-N 0 3 319.445 3.430 20 10 DGCDHN COC1CCN(c2ccc(CN3CC=C(C)CC3)cc2)CC1 ZINC000294877468 434149397 /nfs/dbraw/zinc/14/93/97/434149397.db2.gz DWNIHBPRMSLVPF-UHFFFAOYSA-N 0 3 300.446 3.454 20 10 DGCDHN CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000295135210 434223942 /nfs/dbraw/zinc/22/39/42/434223942.db2.gz PDGYTWSLFGMLRD-MNOVXSKESA-N 0 3 321.339 3.409 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccnc(N3CCCC3)c1)CC2 ZINC000295809529 434438954 /nfs/dbraw/zinc/43/89/54/434438954.db2.gz CRCUZYHBXWSSBL-INIZCTEOSA-N 0 3 309.413 3.165 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000367687360 434554848 /nfs/dbraw/zinc/55/48/48/434554848.db2.gz QJOVPEISUHOHCS-CABCVRRESA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000367687360 434554852 /nfs/dbraw/zinc/55/48/52/434554852.db2.gz QJOVPEISUHOHCS-CABCVRRESA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1OC ZINC000160383223 295004443 /nfs/dbraw/zinc/00/44/43/295004443.db2.gz IVZFWFNBTRBSSD-SUMWQHHRSA-N 0 3 323.458 3.269 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1OC ZINC000160383223 295004446 /nfs/dbraw/zinc/00/44/46/295004446.db2.gz IVZFWFNBTRBSSD-SUMWQHHRSA-N 0 3 323.458 3.269 20 10 DGCDHN COc1cc(O)c(CN2CCS[C@@H]3CCCC[C@@H]32)cc1OC ZINC000160383223 295004450 /nfs/dbraw/zinc/00/44/50/295004450.db2.gz IVZFWFNBTRBSSD-SUMWQHHRSA-N 0 3 323.458 3.269 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1 ZINC000273585111 295168332 /nfs/dbraw/zinc/16/83/32/295168332.db2.gz NNIAIAGTRDNOHR-UWVGGRQHSA-N 0 3 307.312 3.019 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000368653160 434579651 /nfs/dbraw/zinc/57/96/51/434579651.db2.gz QCJRPDPVRNILDF-UYHISHBKSA-N 0 3 305.418 3.257 20 10 DGCDHN C[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(N(C)C)cc1 ZINC000370670002 434615968 /nfs/dbraw/zinc/61/59/68/434615968.db2.gz UPENJIGDRSYCHO-OAHLLOKOSA-N 0 3 321.428 3.184 20 10 DGCDHN c1cc(N2CCCCC2)ccc1CN1CC([C@@H]2CCOC2)C1 ZINC000369869212 434603960 /nfs/dbraw/zinc/60/39/60/434603960.db2.gz YIGWPHJJGANIHX-QGZVFWFLSA-N 0 3 300.446 3.145 20 10 DGCDHN c1cc(N2CCCCC2)ccc1CN1CC([C@H]2CCOC2)C1 ZINC000369869211 434604320 /nfs/dbraw/zinc/60/43/20/434604320.db2.gz YIGWPHJJGANIHX-KRWDZBQOSA-N 0 3 300.446 3.145 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc2c(cc1[O-])CCCC2 ZINC000370397824 434611151 /nfs/dbraw/zinc/61/11/51/434611151.db2.gz OHHSYNIFKDYKCA-LRDDRELGSA-N 0 3 311.429 3.202 20 10 DGCDHN CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185177519 333204899 /nfs/dbraw/zinc/20/48/99/333204899.db2.gz MKFJFPADVPHCFG-AWEZNQCLSA-N 0 3 312.413 3.301 20 10 DGCDHN C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183491136 533845261 /nfs/dbraw/zinc/84/52/61/533845261.db2.gz JFZPBACBMRFGBD-ZDUSSCGKSA-N 0 3 308.422 3.300 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000184695827 533952933 /nfs/dbraw/zinc/95/29/33/533952933.db2.gz RYDHCBMZDNAAAC-BXUZGUMPSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000184695827 533952937 /nfs/dbraw/zinc/95/29/37/533952937.db2.gz RYDHCBMZDNAAAC-BXUZGUMPSA-N 0 3 311.809 3.055 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c([O-])c1 ZINC000193503722 534226598 /nfs/dbraw/zinc/22/65/98/534226598.db2.gz FTOANGTWHQKDBA-QWHCGFSZSA-N 0 3 316.367 3.235 20 10 DGCDHN CC(C)N(C)c1ccc(CNCc2ccc(N(C)C)cc2)cn1 ZINC000190698328 519633374 /nfs/dbraw/zinc/63/33/74/519633374.db2.gz BPILSVYTMWYCAJ-UHFFFAOYSA-N 0 3 312.461 3.282 20 10 DGCDHN CCN(CC)[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccco1 ZINC000180542102 520838081 /nfs/dbraw/zinc/83/80/81/520838081.db2.gz YRVHKICMUIEWKS-HNNXBMFYSA-N 0 3 306.381 3.297 20 10 DGCDHN CCN(CC)[C@@H](C[NH2+]Cc1cccc(OC)c1[O-])c1ccco1 ZINC000236849231 520839615 /nfs/dbraw/zinc/83/96/15/520839615.db2.gz IPNCUPIGKDFUHU-HNNXBMFYSA-N 0 3 318.417 3.167 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)C[C@@H](N)c1ccccc1 ZINC000236732286 521687906 /nfs/dbraw/zinc/68/79/06/521687906.db2.gz HXDBBHKQTRNJGP-QGZVFWFLSA-N 0 3 312.413 3.221 20 10 DGCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1nccs1 ZINC000157073855 521690890 /nfs/dbraw/zinc/69/08/90/521690890.db2.gz PKQBNTTXSDQDNS-GFCCVEGCSA-N 0 3 319.430 3.088 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)C[C@H](C)c2nccs2)cc1OC ZINC000182849198 522769882 /nfs/dbraw/zinc/76/98/82/522769882.db2.gz AZYLFABWXKRSIU-NSHDSACASA-N 0 3 322.430 3.101 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)C[C@H](C)c2nccs2)cc1OC ZINC000182849198 522769894 /nfs/dbraw/zinc/76/98/94/522769894.db2.gz AZYLFABWXKRSIU-NSHDSACASA-N 0 3 322.430 3.101 20 10 DGCDHN COc1ccc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)cc1C ZINC000267168877 524074421 /nfs/dbraw/zinc/07/44/21/524074421.db2.gz HLMTUDGOTNCWJF-UGSOOPFHSA-N 0 3 303.377 3.354 20 10 DGCDHN Cc1cccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1[O-] ZINC000191673359 524389913 /nfs/dbraw/zinc/38/99/13/524389913.db2.gz JSNBHZXZOHRXRL-UHFFFAOYSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1cccc(CN2CCN(c3nc4ccccc4o3)CC2)c1O ZINC000180082981 524400256 /nfs/dbraw/zinc/40/02/56/524400256.db2.gz JQPHDCMVZUUUGN-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1[O-] ZINC000180765603 524408640 /nfs/dbraw/zinc/40/86/40/524408640.db2.gz QQMLAXWETUJOLO-QAPCUYQASA-N 0 3 300.446 3.149 20 10 DGCDHN Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1[O-] ZINC000180765603 524408647 /nfs/dbraw/zinc/40/86/47/524408647.db2.gz QQMLAXWETUJOLO-QAPCUYQASA-N 0 3 300.446 3.149 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000182894578 524762997 /nfs/dbraw/zinc/76/29/97/524762997.db2.gz NAOABWBHZXUEAA-GDBMZVCRSA-N 0 3 315.413 3.045 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1 ZINC000182466235 524771388 /nfs/dbraw/zinc/77/13/88/524771388.db2.gz VEPQYZREZHKTIR-SCLBCKFNSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1 ZINC000182392171 524771785 /nfs/dbraw/zinc/77/17/85/524771785.db2.gz DMFRLUNHPCCALU-IFXJQAMLSA-N 0 3 315.413 3.402 20 10 DGCDHN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cc1C ZINC000267251118 525324129 /nfs/dbraw/zinc/32/41/29/525324129.db2.gz ZLEKLLVGRZDITA-FZKQIMNGSA-N 0 3 303.377 3.360 20 10 DGCDHN C[C@@H](NCCC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000128673498 525427759 /nfs/dbraw/zinc/42/77/59/525427759.db2.gz VEODAPRERQCGRL-OAHLLOKOSA-N 0 3 317.477 3.242 20 10 DGCDHN C[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000189000292 525589730 /nfs/dbraw/zinc/58/97/30/525589730.db2.gz BDENFTURTNEEPZ-CVEARBPZSA-N 0 3 317.477 3.194 20 10 DGCDHN C[C@H](O)CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082093 525721937 /nfs/dbraw/zinc/72/19/37/525721937.db2.gz NQFZEFCBSZBIIP-HNNXBMFYSA-N 0 3 315.413 3.174 20 10 DGCDHN C[C@H](O)CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082093 525721943 /nfs/dbraw/zinc/72/19/43/525721943.db2.gz NQFZEFCBSZBIIP-HNNXBMFYSA-N 0 3 315.413 3.174 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c([O-])c1 ZINC000185027046 525920258 /nfs/dbraw/zinc/92/02/58/525920258.db2.gz OFIXTASAKOLDJF-LBPRGKRZSA-N 0 3 304.356 3.235 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c([O-])c1 ZINC000186190034 525922348 /nfs/dbraw/zinc/92/23/48/525922348.db2.gz OEWXSSDMQOSDGD-SCLBCKFNSA-N 0 3 303.377 3.398 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000183312564 529203068 /nfs/dbraw/zinc/20/30/68/529203068.db2.gz PTHJQGAVALXIJF-IAGOWNOFSA-N 0 3 310.397 3.238 20 10 DGCDHN CCN(CC)c1ccc(CN(C)CCc2cnccn2)cc1F ZINC000272716298 535683993 /nfs/dbraw/zinc/68/39/93/535683993.db2.gz DMCSTAPGJVVJTO-UHFFFAOYSA-N 0 3 316.424 3.136 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2cc(C)ccc2O)cc1[N+](=O)[O-] ZINC000273566064 536896500 /nfs/dbraw/zinc/89/65/00/536896500.db2.gz JOZAGZOXHXBENL-LBPRGKRZSA-N 0 3 316.357 3.468 20 10 DGCDHN CC(C)[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848081 574560428 /nfs/dbraw/zinc/56/04/28/574560428.db2.gz QTSWZTRWMVFWDG-OAHLLOKOSA-N 0 3 318.461 3.298 20 10 DGCDHN CC(C)[C@@H](C)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848081 574560430 /nfs/dbraw/zinc/56/04/30/574560430.db2.gz QTSWZTRWMVFWDG-OAHLLOKOSA-N 0 3 318.461 3.298 20 10 DGCDHN CC[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205010 574568103 /nfs/dbraw/zinc/56/81/03/574568103.db2.gz XFZXACCCHHWHHW-CQSZACIVSA-N 0 3 304.434 3.052 20 10 DGCDHN CC[C@@H](C)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205010 574568104 /nfs/dbraw/zinc/56/81/04/574568104.db2.gz XFZXACCCHHWHHW-CQSZACIVSA-N 0 3 304.434 3.052 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CC2(C)C)c1[O-] ZINC000732821187 574583762 /nfs/dbraw/zinc/58/37/62/574583762.db2.gz WGQMUHDVIFIZPS-SNVBAGLBSA-N 0 3 314.223 3.299 20 10 DGCDHN CN(C)c1ccc(CNCCN2CCc3ccccc32)cc1F ZINC000733325635 574615800 /nfs/dbraw/zinc/61/58/00/574615800.db2.gz OKUDUICJTUZDBN-UHFFFAOYSA-N 0 3 313.420 3.044 20 10 DGCDHN Cc1ccc(O)c(CN2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000733324860 574615962 /nfs/dbraw/zinc/61/59/62/574615962.db2.gz HKOBBXPHIAMUTF-CYBMUJFWSA-N 0 3 303.324 3.244 20 10 DGCDHN COC(=O)CC(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000741255196 574954447 /nfs/dbraw/zinc/95/44/47/574954447.db2.gz LMUHUFWCTWSYTC-UHFFFAOYSA-N 0 3 313.397 3.491 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([O-])c1 ZINC000742376740 574994035 /nfs/dbraw/zinc/99/40/35/574994035.db2.gz FJLRSSBCZRIORU-DJIMGWMZSA-N 0 3 305.418 3.084 20 10 DGCDHN COc1ccc(N2CCC(NCc3scnc3C)CC2)cc1 ZINC000742369774 574993020 /nfs/dbraw/zinc/99/30/20/574993020.db2.gz RNHRFHHKYNVPGO-UHFFFAOYSA-N 0 3 317.458 3.219 20 10 DGCDHN C[C@H]1Cc2ccccc2N1CCNCc1ccc2c(c1)CCO2 ZINC000742709376 575014061 /nfs/dbraw/zinc/01/40/61/575014061.db2.gz KKYZBMSTDSEUBD-HNNXBMFYSA-N 0 3 308.425 3.162 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c([O-])c1 ZINC000748246809 575575284 /nfs/dbraw/zinc/57/52/84/575575284.db2.gz PRUNIMSUGWCFEW-KRWDZBQOSA-N 0 3 317.433 3.401 20 10 DGCDHN Cc1cc(O)c(CNCc2ccc([S@](C)=O)cc2)cc1C ZINC000751151891 575772074 /nfs/dbraw/zinc/77/20/74/575772074.db2.gz HULMTVKGVPQETB-NRFANRHFSA-N 0 3 303.427 3.036 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]Cc2ccc([S@](C)=O)cc2)cc1C ZINC000751151891 575772076 /nfs/dbraw/zinc/77/20/76/575772076.db2.gz HULMTVKGVPQETB-NRFANRHFSA-N 0 3 303.427 3.036 20 10 DGCDHN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000751605006 575793004 /nfs/dbraw/zinc/79/30/04/575793004.db2.gz NTJJEGMGRFCIRP-XJKSGUPXSA-N 0 3 311.381 3.499 20 10 DGCDHN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000751605006 575793007 /nfs/dbraw/zinc/79/30/07/575793007.db2.gz NTJJEGMGRFCIRP-XJKSGUPXSA-N 0 3 311.381 3.499 20 10 DGCDHN CN1CCCc2cc(CNC[C@H](O)c3ccccc3F)ccc21 ZINC000727644189 576135697 /nfs/dbraw/zinc/13/56/97/576135697.db2.gz RLWFFUKRQBWVOM-IBGZPJMESA-N 0 3 314.404 3.031 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1CC1CCC1)[C@H](O)CO2 ZINC000853607794 620715675 /nfs/dbraw/zinc/71/56/75/620715675.db2.gz VXOSWQMKGYYXAY-MAUKXSAKSA-N 0 3 317.429 3.363 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1CC1CCC1)[C@H](O)CO2 ZINC000853607794 620715678 /nfs/dbraw/zinc/71/56/78/620715678.db2.gz VXOSWQMKGYYXAY-MAUKXSAKSA-N 0 3 317.429 3.363 20 10 DGCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccns3)C2)cc1 ZINC000926679414 618085300 /nfs/dbraw/zinc/08/53/00/618085300.db2.gz DYKGPTOPASQCAB-QWHCGFSZSA-N 0 3 303.431 3.081 20 10 DGCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3c(C)noc3C)C2)cc1 ZINC000926680212 618086059 /nfs/dbraw/zinc/08/60/59/618086059.db2.gz KZWOGJUJYHFODS-SWLSCSKDSA-N 0 3 315.417 3.230 20 10 DGCDHN COc1ccc(CN[C@H]2CCCc3occc32)c(O)c1OC ZINC000892552189 618106831 /nfs/dbraw/zinc/10/68/31/618106831.db2.gz SODSAHSEFYWACA-ZDUSSCGKSA-N 0 3 303.358 3.170 20 10 DGCDHN Cc1cc([C@@H](C)N[C@H](C)Cc2ccc(N(C)C)cc2C)nn1C ZINC000840894156 618325680 /nfs/dbraw/zinc/32/56/80/618325680.db2.gz PMRBZZJMHGIMHV-GDBMZVCRSA-N 0 3 314.477 3.385 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccccc2OCC(F)F)c([O-])c1 ZINC000894634200 618407866 /nfs/dbraw/zinc/40/78/66/618407866.db2.gz CZYTXRLJVXGNSB-UHFFFAOYSA-N 0 3 323.339 3.335 20 10 DGCDHN COc1ccc(CNCc2ccccc2OCC(F)F)c(O)c1 ZINC000894634200 618407870 /nfs/dbraw/zinc/40/78/70/618407870.db2.gz CZYTXRLJVXGNSB-UHFFFAOYSA-N 0 3 323.339 3.335 20 10 DGCDHN CCN(Cc1occc1C)Cc1ccc(OC)c(OC)c1O ZINC000894922877 618500047 /nfs/dbraw/zinc/50/00/47/618500047.db2.gz AOVXKVPKXXSMRL-UHFFFAOYSA-N 0 3 305.374 3.333 20 10 DGCDHN Cc1cc([O-])c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000840946989 618619859 /nfs/dbraw/zinc/61/98/59/618619859.db2.gz JDJAVQCIGUXCPQ-PBWFPOADSA-N 0 3 308.853 3.411 20 10 DGCDHN Cc1cc([O-])c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000840946989 618619860 /nfs/dbraw/zinc/61/98/60/618619860.db2.gz JDJAVQCIGUXCPQ-PBWFPOADSA-N 0 3 308.853 3.411 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc(C)nc3c2CCCC3)c([O-])c1 ZINC000894185552 618725956 /nfs/dbraw/zinc/72/59/56/618725956.db2.gz PXTKNJZUXDCVHX-UHFFFAOYSA-N 0 3 312.413 3.273 20 10 DGCDHN COC1(OC)CC[C@@H]1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000925009176 618763156 /nfs/dbraw/zinc/76/31/56/618763156.db2.gz ARLXDZSCJQWSHG-SFHVURJKSA-N 0 3 318.461 3.164 20 10 DGCDHN CCCCn1cc(CNCc2cc(C)cc(OC)c2O)c(C)n1 ZINC000894373351 618773604 /nfs/dbraw/zinc/77/36/04/618773604.db2.gz SVSZLEGIJMYODY-UHFFFAOYSA-N 0 3 317.433 3.304 20 10 DGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC1CSC1 ZINC000895421278 618783282 /nfs/dbraw/zinc/78/32/82/618783282.db2.gz COTJBTGKWILYIJ-UHFFFAOYSA-N 0 3 315.438 3.424 20 10 DGCDHN COc1ccc(CN2CC(Cc3ccsc3)C2)c(O)c1OC ZINC000895516646 618793956 /nfs/dbraw/zinc/79/39/56/618793956.db2.gz VVLNFNIIBVANKD-UHFFFAOYSA-N 0 3 319.426 3.145 20 10 DGCDHN CCC1([NH+]2CCC2)CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000895827905 618834341 /nfs/dbraw/zinc/83/43/41/618834341.db2.gz OPJIRKFTRUOZGW-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN COCC1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000895969533 618856175 /nfs/dbraw/zinc/85/61/75/618856175.db2.gz GUSFSEJJJRCYEW-UHFFFAOYSA-N 0 3 322.452 3.328 20 10 DGCDHN COC1(OC)CC2(C[N@H+](Cc3cc(F)ccc3[O-])[C@H]2C(C)C)C1 ZINC000895988486 618858100 /nfs/dbraw/zinc/85/81/00/618858100.db2.gz CJDZMVNKMDOFTL-INIZCTEOSA-N 0 3 323.408 3.141 20 10 DGCDHN COC1(OC)CC2(C[N@@H+](Cc3cc(F)ccc3[O-])[C@H]2C(C)C)C1 ZINC000895988486 618858101 /nfs/dbraw/zinc/85/81/01/618858101.db2.gz CJDZMVNKMDOFTL-INIZCTEOSA-N 0 3 323.408 3.141 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896534110 618926269 /nfs/dbraw/zinc/92/62/69/618926269.db2.gz GKPGNWAYFATMMP-GFCCVEGCSA-N 0 3 306.406 3.443 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896534110 618926271 /nfs/dbraw/zinc/92/62/71/618926271.db2.gz GKPGNWAYFATMMP-GFCCVEGCSA-N 0 3 306.406 3.443 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000896811962 618963157 /nfs/dbraw/zinc/96/31/57/618963157.db2.gz QRKHRAJLMNJILW-WCQYABFASA-N 0 3 307.287 3.121 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c1[O-] ZINC000897507927 619140979 /nfs/dbraw/zinc/14/09/79/619140979.db2.gz HRKCJSJCGFYTRM-KBPBESRZSA-N 0 3 311.809 3.101 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cnn(CC2CCC2)c1 ZINC000898179063 619223101 /nfs/dbraw/zinc/22/31/01/619223101.db2.gz GZDKBEWEAIOPMO-GFCCVEGCSA-N 0 3 303.381 3.379 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]CCCNCc2cccnc2)c(Cl)c1 ZINC000841042098 619243807 /nfs/dbraw/zinc/24/38/07/619243807.db2.gz KWEFKUNQWZOUGH-UHFFFAOYSA-N 0 3 319.836 3.019 20 10 DGCDHN C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000926962120 619252989 /nfs/dbraw/zinc/25/29/89/619252989.db2.gz KBTWZBKQNRCCMO-RNCFNFMXSA-N 0 3 308.319 3.065 20 10 DGCDHN CCN(C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000903197277 619734491 /nfs/dbraw/zinc/73/44/91/619734491.db2.gz MNSLDRJJLNMCGQ-ZDUSSCGKSA-N 0 3 316.376 3.235 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1ccccc1[O-] ZINC000903271143 619749874 /nfs/dbraw/zinc/74/98/74/619749874.db2.gz JLWAOUQDGUZEES-ARFHVFGLSA-N 0 3 306.475 3.013 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000903271910 619750263 /nfs/dbraw/zinc/75/02/63/619750263.db2.gz QCPZVKQALNHNMU-WRWLIDTKSA-N 0 3 311.425 3.444 20 10 DGCDHN CC[C@H](NCc1cnn(CCF)c1)c1ccc(N(C)C)cc1 ZINC000903273678 619750692 /nfs/dbraw/zinc/75/06/92/619750692.db2.gz FJAXNGYKHXGSSU-KRWDZBQOSA-N 0 3 304.413 3.160 20 10 DGCDHN C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cc(F)ccc1[O-] ZINC000903292868 619751945 /nfs/dbraw/zinc/75/19/45/619751945.db2.gz NAPDHLYOWOSLLT-CZUORRHYSA-N 0 3 303.377 3.176 20 10 DGCDHN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000903450764 619778913 /nfs/dbraw/zinc/77/89/13/619778913.db2.gz MPIGQKMUOLJBMF-KFWWJZLASA-N 0 3 305.418 3.391 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000152488115 620508918 /nfs/dbraw/zinc/50/89/18/620508918.db2.gz KSYNNPNXDZMXOH-HUUCEWRRSA-N 0 3 320.433 3.318 20 10 DGCDHN O=c1[nH]c2c(cc1CNCc1ccc3c(c1)CCCO3)CCCC2 ZINC000922320907 621024101 /nfs/dbraw/zinc/02/41/01/621024101.db2.gz SRUBXNQQCNGOQA-UHFFFAOYSA-N 0 3 324.424 3.281 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H](C)[C@H](CO)C2)cc1F ZINC000857061898 621053052 /nfs/dbraw/zinc/05/30/52/621053052.db2.gz WIQPMBMSOPGPBK-HOCLYGCPSA-N 0 3 308.441 3.122 20 10 DGCDHN CC(C)(/C=C\Cl)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000922644084 621072221 /nfs/dbraw/zinc/07/22/21/621072221.db2.gz FYJGEFANYXOGFU-KTKRTIGZSA-N 0 3 308.853 3.268 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@]23C[C@H]2CCC3)c1[O-] ZINC000923022934 621147933 /nfs/dbraw/zinc/14/79/33/621147933.db2.gz BPRBNSYMNXLUSQ-QMTHXVAHSA-N 0 3 312.207 3.196 20 10 DGCDHN Cc1cc(CNCc2ccc(N3CCSCC3)cc2)ccn1 ZINC000858100675 621152670 /nfs/dbraw/zinc/15/26/70/621152670.db2.gz WLOBEOLUGYSITF-UHFFFAOYSA-N 0 3 313.470 3.233 20 10 DGCDHN Cc1cccnc1CCNCc1cc(F)c(N(C)C)cc1F ZINC000858172813 621160979 /nfs/dbraw/zinc/16/09/79/621160979.db2.gz HIKNPYRCWFHSNV-UHFFFAOYSA-N 0 3 305.372 3.067 20 10 DGCDHN CCCC[C@@](C)(CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858182390 621162202 /nfs/dbraw/zinc/16/22/02/621162202.db2.gz RESLUSMDQNNBRS-INIZCTEOSA-N 0 3 300.393 3.062 20 10 DGCDHN CCN(CC)c1ccc(CNc2ccnc(CO)c2)cc1F ZINC000858403663 621186256 /nfs/dbraw/zinc/18/62/56/621186256.db2.gz IWHJTRQQUGNPTD-UHFFFAOYSA-N 0 3 303.381 3.171 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000858527489 621201870 /nfs/dbraw/zinc/20/18/70/621201870.db2.gz HRNYCEWFGBQXBK-LIRRHRJNSA-N 0 3 323.440 3.357 20 10 DGCDHN C[NH+](C)CCOc1ccc(NCc2cccc(F)c2[O-])cc1F ZINC000839189227 621345877 /nfs/dbraw/zinc/34/58/77/621345877.db2.gz CNLXEOLVUZBRPP-UHFFFAOYSA-N 0 3 322.355 3.223 20 10 DGCDHN COCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000753570951 621449554 /nfs/dbraw/zinc/44/95/54/621449554.db2.gz MKSYDNXIHDLYBT-UHFFFAOYSA-N 0 3 313.397 3.240 20 10 DGCDHN C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753571785 621449985 /nfs/dbraw/zinc/44/99/85/621449985.db2.gz XNDNPWROZYQONY-LSDHHAIUSA-N 0 3 315.413 3.220 20 10 DGCDHN CC(=O)NC1CCC([N@H+](C)Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000753592641 621452221 /nfs/dbraw/zinc/45/22/21/621452221.db2.gz YFQGUIJIBSVAGJ-UHFFFAOYSA-N 0 3 324.852 3.233 20 10 DGCDHN CC(=O)NC1CCC([N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000753592641 621452223 /nfs/dbraw/zinc/45/22/23/621452223.db2.gz YFQGUIJIBSVAGJ-UHFFFAOYSA-N 0 3 324.852 3.233 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F ZINC000862384249 621582200 /nfs/dbraw/zinc/58/22/00/621582200.db2.gz SLNUBBDOWQUKMZ-QBIMZIAESA-N 0 3 324.415 3.156 20 10 DGCDHN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862488690 621595215 /nfs/dbraw/zinc/59/52/15/621595215.db2.gz OEQOWDBRBAFVGP-CQSZACIVSA-N 0 3 309.793 3.096 20 10 DGCDHN CCN(CC[NH2+][C@H](C)c1cc(F)ccc1[O-])CCC(F)(F)F ZINC000756051415 621612003 /nfs/dbraw/zinc/61/20/03/621612003.db2.gz VQLMSBOAPVKBEW-LLVKDONJSA-N 0 3 322.346 3.456 20 10 DGCDHN COCC(C)(C)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000756077723 621614132 /nfs/dbraw/zinc/61/41/32/621614132.db2.gz SOJNUSJMWMXHKP-INIZCTEOSA-N 0 3 307.434 3.046 20 10 DGCDHN COCC(C)(C)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000756077723 621614133 /nfs/dbraw/zinc/61/41/33/621614133.db2.gz SOJNUSJMWMXHKP-INIZCTEOSA-N 0 3 307.434 3.046 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)nc2)c2c1c(F)ccc2[O-] ZINC000756401436 621635614 /nfs/dbraw/zinc/63/56/14/621635614.db2.gz PBVXXJQEBYWCRZ-SMDDNHRTSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCN2CCC[C@@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756414867 621636948 /nfs/dbraw/zinc/63/69/48/621636948.db2.gz JFBOKUICXUDPBP-VNHYZAJKSA-N 0 3 306.425 3.401 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756435032 621638129 /nfs/dbraw/zinc/63/81/29/621638129.db2.gz SXCLZDLLVZQCQL-QWHCGFSZSA-N 0 3 312.404 3.443 20 10 DGCDHN C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CN1CCCCC1 ZINC000756434026 621638152 /nfs/dbraw/zinc/63/81/52/621638152.db2.gz HTJUVRBXVIIDHA-KBPBESRZSA-N 0 3 321.421 3.073 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000756461080 621640079 /nfs/dbraw/zinc/64/00/79/621640079.db2.gz VBKBWIPSKXSEFO-MAILCFBASA-N 0 3 313.372 3.328 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCOCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756467945 621640110 /nfs/dbraw/zinc/64/01/10/621640110.db2.gz AXBNFMOACGVLGA-SCZZXKLOSA-N 0 3 307.287 3.248 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756467947 621640157 /nfs/dbraw/zinc/64/01/57/621640157.db2.gz AXBNFMOACGVLGA-WCBMZHEXSA-N 0 3 307.287 3.248 20 10 DGCDHN C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756495863 621642127 /nfs/dbraw/zinc/64/21/27/621642127.db2.gz SQQSVZFFSGZCMC-JTNHKYCSSA-N 0 3 301.365 3.090 20 10 DGCDHN COCCOCCCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756516179 621644555 /nfs/dbraw/zinc/64/45/55/621644555.db2.gz IDFMMVCXTKQPAU-OCCSQVGLSA-N 0 3 311.397 3.112 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CN(C3CC3)C[C@H]2C)c2c1c(F)ccc2[O-] ZINC000756644441 621655902 /nfs/dbraw/zinc/65/59/02/621655902.db2.gz AGGLJAWMJFRHEW-FIXIBIHLSA-N 0 3 304.409 3.152 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000756736450 621661784 /nfs/dbraw/zinc/66/17/84/621661784.db2.gz NWIMQEAFIMBAJS-WZRBSPASSA-N 0 3 320.408 3.069 20 10 DGCDHN C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1cc(F)ccc1[O-] ZINC000756756965 621662511 /nfs/dbraw/zinc/66/25/11/621662511.db2.gz ASUJKEMUWOOWLQ-GXTWGEPZSA-N 0 3 317.360 3.412 20 10 DGCDHN CC(C)[C@@H](O)C1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756792204 621664772 /nfs/dbraw/zinc/66/47/72/621664772.db2.gz ZWWGUFCLFNUFQF-CJBNDPTMSA-N 0 3 307.409 3.466 20 10 DGCDHN CC(C)[C@@H](O)C1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756792203 621664816 /nfs/dbraw/zinc/66/48/16/621664816.db2.gz ZWWGUFCLFNUFQF-BTJLNZGRSA-N 0 3 307.409 3.466 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)c2c1c(F)ccc2[O-] ZINC000756788877 621664902 /nfs/dbraw/zinc/66/49/02/621664902.db2.gz FVWAVODJYRPWPN-LRDDRELGSA-N 0 3 315.388 3.404 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccccc1[O-] ZINC000839540998 621693095 /nfs/dbraw/zinc/69/30/95/621693095.db2.gz QDILYQPEJPKNPS-NVXWUHKLSA-N 0 3 310.397 3.386 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)c([O-])c1 ZINC000757801864 621740682 /nfs/dbraw/zinc/74/06/82/621740682.db2.gz YBUKBGBATNJDPH-QAPCUYQASA-N 0 3 321.417 3.002 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c([O-])c1 ZINC000865762394 621990484 /nfs/dbraw/zinc/99/04/84/621990484.db2.gz NOCMNHYKKIKNAG-YJBOKZPZSA-N 0 3 305.418 3.086 20 10 DGCDHN COc1cc(Cl)cc(CN[C@@H](C)c2cncc(F)c2)c1O ZINC000761214648 621994576 /nfs/dbraw/zinc/99/45/76/621994576.db2.gz GPLLIYZZUHTAJN-VIFPVBQESA-N 0 3 310.756 3.439 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c([O-])c1 ZINC000865786987 621995450 /nfs/dbraw/zinc/99/54/50/621995450.db2.gz WWMSJRGDHNHJKD-UHFFFAOYSA-N 0 3 316.357 3.297 20 10 DGCDHN COc1cc(O)c(CN2CCc3cccc(C)c3C2)cc1OC ZINC000762088990 622052244 /nfs/dbraw/zinc/05/22/44/622052244.db2.gz WOJFTNDVCJMXNY-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1[O-] ZINC000866446049 622120004 /nfs/dbraw/zinc/12/00/04/622120004.db2.gz OEFISODGUZYHMV-ZETRGDBVSA-N 0 3 307.821 3.428 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000866465209 622122773 /nfs/dbraw/zinc/12/27/73/622122773.db2.gz PQIQMOAMOVPCGM-MISXGVKJSA-N 0 3 304.356 3.105 20 10 DGCDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000765794504 622287879 /nfs/dbraw/zinc/28/78/79/622287879.db2.gz CTLACDVCANISMH-ROUUACIJSA-N 0 3 324.424 3.064 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC000767196970 622382118 /nfs/dbraw/zinc/38/21/18/622382118.db2.gz ZWMRVLZPNBYNCS-MSOLQXFVSA-N 0 3 305.418 3.086 20 10 DGCDHN CCOc1ccc(CN(C)Cc2c(O)cccc2OC)cc1 ZINC000768162876 622442844 /nfs/dbraw/zinc/44/28/44/622442844.db2.gz KZGMMURTGMEPCH-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN COc1cccc(O)c1CN(C)CCOc1ccccc1C ZINC000768212594 622445574 /nfs/dbraw/zinc/44/55/74/622445574.db2.gz MLHVIONTOFENOX-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)CCOc1ccccc1C ZINC000768212594 622445576 /nfs/dbraw/zinc/44/55/76/622445576.db2.gz MLHVIONTOFENOX-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)CCOc1ccccc1C ZINC000768212594 622445580 /nfs/dbraw/zinc/44/55/80/622445580.db2.gz MLHVIONTOFENOX-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccs1)[C@H](O)CO2 ZINC000768442093 622456404 /nfs/dbraw/zinc/45/64/04/622456404.db2.gz OUXNDXDYGKQGSR-DZGCQCFKSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccs1)[C@H](O)CO2 ZINC000768442093 622456406 /nfs/dbraw/zinc/45/64/06/622456406.db2.gz OUXNDXDYGKQGSR-DZGCQCFKSA-N 0 3 317.410 3.217 20 10 DGCDHN CCC[C@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768466507 622458763 /nfs/dbraw/zinc/45/87/63/622458763.db2.gz QWYRYNFBRUWEIA-FUHWJXTLSA-N 0 3 305.418 3.220 20 10 DGCDHN CCC[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768466507 622458764 /nfs/dbraw/zinc/45/87/64/622458764.db2.gz QWYRYNFBRUWEIA-FUHWJXTLSA-N 0 3 305.418 3.220 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000768938366 622486535 /nfs/dbraw/zinc/48/65/35/622486535.db2.gz YUHGXPIGOCRARZ-INIZCTEOSA-N 0 3 308.853 3.496 20 10 DGCDHN COc1cccc(O)c1CN(C)C[C@@H]1OCCc2ccccc21 ZINC000769022277 622492983 /nfs/dbraw/zinc/49/29/83/622492983.db2.gz KFDMWZYBPLIYKR-IBGZPJMESA-N 0 3 313.397 3.147 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c([O-])c1 ZINC000769424929 622527169 /nfs/dbraw/zinc/52/71/69/622527169.db2.gz AJNIUSMARUSOKG-GOSISDBHSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c([O-])c1 ZINC000769424929 622527171 /nfs/dbraw/zinc/52/71/71/622527171.db2.gz AJNIUSMARUSOKG-GOSISDBHSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1[O-] ZINC000769548144 622539645 /nfs/dbraw/zinc/53/96/45/622539645.db2.gz FZGUDFPRWFUSQI-MAUKXSAKSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1[O-] ZINC000769548144 622539648 /nfs/dbraw/zinc/53/96/48/622539648.db2.gz FZGUDFPRWFUSQI-MAUKXSAKSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c([O-])c1 ZINC000770305953 622619485 /nfs/dbraw/zinc/61/94/85/622619485.db2.gz WYFOHUIIQPRBJT-KRWDZBQOSA-N 0 3 315.417 3.170 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c([O-])c1 ZINC000770305953 622619488 /nfs/dbraw/zinc/61/94/88/622619488.db2.gz WYFOHUIIQPRBJT-KRWDZBQOSA-N 0 3 315.417 3.170 20 10 DGCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c([O-])cccc2OC)C12CCC2 ZINC000770351755 622624205 /nfs/dbraw/zinc/62/42/05/622624205.db2.gz KQPQYVYPOSCQHC-IAGOWNOFSA-N 0 3 305.418 3.180 20 10 DGCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c([O-])cccc2OC)C12CCC2 ZINC000770351755 622624208 /nfs/dbraw/zinc/62/42/08/622624208.db2.gz KQPQYVYPOSCQHC-IAGOWNOFSA-N 0 3 305.418 3.180 20 10 DGCDHN C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000872111080 622813827 /nfs/dbraw/zinc/81/38/27/622813827.db2.gz YRIPPURMLITKQW-ZETCQYMHSA-N 0 3 317.229 3.354 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C(C)=O)C3)c2c1 ZINC000872801134 622981220 /nfs/dbraw/zinc/98/12/20/622981220.db2.gz WFYDPDBSMSEDQV-OAHLLOKOSA-N 0 3 313.397 3.355 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](C(C)=O)C3)c2c1 ZINC000872801134 622981228 /nfs/dbraw/zinc/98/12/28/622981228.db2.gz WFYDPDBSMSEDQV-OAHLLOKOSA-N 0 3 313.397 3.355 20 10 DGCDHN CC[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773105577 622985168 /nfs/dbraw/zinc/98/51/68/622985168.db2.gz HWXYOTQFKKWLIE-JSGCOSHPSA-N 0 3 304.356 3.107 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)N[C@H](CO)CC(F)(F)F)cc1 ZINC000773108304 622985456 /nfs/dbraw/zinc/98/54/56/622985456.db2.gz WAGLRRNQTQIFOO-YPMHNXCESA-N 0 3 304.356 3.107 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)c2ccccc2)c([O-])c1 ZINC000873194992 623070541 /nfs/dbraw/zinc/07/05/41/623070541.db2.gz XJYUTFXHRKYDSB-MJGOQNOKSA-N 0 3 315.413 3.393 20 10 DGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCCCC1 ZINC000774484978 623151261 /nfs/dbraw/zinc/15/12/61/623151261.db2.gz UGSJXXFSQJTSKU-HUUCEWRRSA-N 0 3 317.477 3.241 20 10 DGCDHN Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000775128391 623233861 /nfs/dbraw/zinc/23/38/61/623233861.db2.gz AQLKTRORXNZVNL-JKSUJKDBSA-N 0 3 315.413 3.100 20 10 DGCDHN CCC[C@@]1(C(=O)OCC)CCCN1Cc1cc(C)ccc1O ZINC000775184923 623239654 /nfs/dbraw/zinc/23/96/54/623239654.db2.gz UBCGCVVOKBSHEZ-SFHVURJKSA-N 0 3 305.418 3.398 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccccc1[O-] ZINC000775414088 623271612 /nfs/dbraw/zinc/27/16/12/623271612.db2.gz KWYIIADDHDZJAW-QGZVFWFLSA-N 0 3 312.413 3.335 20 10 DGCDHN CC[C@@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccccc1[O-] ZINC000775524439 623283801 /nfs/dbraw/zinc/28/38/01/623283801.db2.gz QGSDQUUKPXTOJG-WBVHZDCISA-N 0 3 304.434 3.080 20 10 DGCDHN Cc1cccc(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000775709588 623316924 /nfs/dbraw/zinc/31/69/24/623316924.db2.gz VBFRRGMQPQGXQD-GOSISDBHSA-N 0 3 324.424 3.328 20 10 DGCDHN CCCCC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775830420 623338461 /nfs/dbraw/zinc/33/84/61/623338461.db2.gz IEVYQERJSDSZFT-HZPDHXFCSA-N 0 3 319.493 3.488 20 10 DGCDHN COC(=O)c1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833612 623339125 /nfs/dbraw/zinc/33/91/25/623339125.db2.gz FJSHAHKLYOEIOD-CQSZACIVSA-N 0 3 312.413 3.390 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)c([O-])c1 ZINC000776015089 623364935 /nfs/dbraw/zinc/36/49/35/623364935.db2.gz AHMXIWRBKCPVIZ-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)c([O-])c1 ZINC000776015089 623364938 /nfs/dbraw/zinc/36/49/38/623364938.db2.gz AHMXIWRBKCPVIZ-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN COc1cc(O)c(CN[C@@H]2CSc3ccccc32)cc1OC ZINC000776207263 623396989 /nfs/dbraw/zinc/39/69/89/623396989.db2.gz FYVFPFAOUSUEDT-CYBMUJFWSA-N 0 3 317.410 3.346 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000776294754 623408263 /nfs/dbraw/zinc/40/82/63/623408263.db2.gz VHAZSSFJBGOICP-LJQANCHMSA-N 0 3 311.425 3.453 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000777824807 623573077 /nfs/dbraw/zinc/57/30/77/623573077.db2.gz GEMCGWQPFHUBHP-UHFFFAOYSA-N 0 3 316.367 3.241 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000777824807 623573080 /nfs/dbraw/zinc/57/30/80/623573080.db2.gz GEMCGWQPFHUBHP-UHFFFAOYSA-N 0 3 316.367 3.241 20 10 DGCDHN COc1cc2c(cc1OC)CN(Cc1ccc(C)cc1O)CC2 ZINC000876531463 623635518 /nfs/dbraw/zinc/63/55/18/623635518.db2.gz GUKXPQQIMXTZFO-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN CC[C@](C)(C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC000876531420 623635623 /nfs/dbraw/zinc/63/56/23/623635623.db2.gz FXPVABHACSTLKH-SJLPKXTDSA-N 0 3 307.434 3.188 20 10 DGCDHN CC[C@](C)(C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)OC ZINC000876531420 623635625 /nfs/dbraw/zinc/63/56/25/623635625.db2.gz FXPVABHACSTLKH-SJLPKXTDSA-N 0 3 307.434 3.188 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c([O-])c1 ZINC000876552339 623641315 /nfs/dbraw/zinc/64/13/15/623641315.db2.gz RJAHELBWDCBQMD-MRXNPFEDSA-N 0 3 322.412 3.123 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c([O-])c1 ZINC000876552339 623641320 /nfs/dbraw/zinc/64/13/20/623641320.db2.gz RJAHELBWDCBQMD-MRXNPFEDSA-N 0 3 322.412 3.123 20 10 DGCDHN CN(Cc1ccccc1O)Cc1ccccc1OCCCCO ZINC000876616118 623661125 /nfs/dbraw/zinc/66/11/25/623661125.db2.gz SRGSFYIZPTXUTM-UHFFFAOYSA-N 0 3 315.413 3.176 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000876656506 623672362 /nfs/dbraw/zinc/67/23/62/623672362.db2.gz CEFGHVSVXLKMDZ-HNNXBMFYSA-N 0 3 318.461 3.073 20 10 DGCDHN [O-]c1c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811590 623714016 /nfs/dbraw/zinc/71/40/16/623714016.db2.gz LNODRYMGUBTMHH-WBMJQRKESA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811590 623714021 /nfs/dbraw/zinc/71/40/21/623714021.db2.gz LNODRYMGUBTMHH-WBMJQRKESA-N 0 3 322.399 3.119 20 10 DGCDHN COC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779001424 623719655 /nfs/dbraw/zinc/71/96/55/623719655.db2.gz RQKQAEAJMKKXLA-VHSXEESVSA-N 0 3 302.212 3.149 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(O)CCC2)c1[O-] ZINC000779024489 623722190 /nfs/dbraw/zinc/72/21/90/623722190.db2.gz NTQGDFDZJNXJGC-SNVBAGLBSA-N 0 3 314.223 3.029 20 10 DGCDHN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1Cc1ccccc1O ZINC000779034580 623724102 /nfs/dbraw/zinc/72/41/02/623724102.db2.gz YOGUSDQNJYHDSE-IRXDYDNUSA-N 0 3 317.429 3.336 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CC2(O)CCCCCC2)c([O-])c1 ZINC000779203907 623741571 /nfs/dbraw/zinc/74/15/71/623741571.db2.gz KQILEDJEFZIANY-UHFFFAOYSA-N 0 3 307.434 3.308 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CC2(O)CCCCCC2)c([O-])c1 ZINC000779203907 623741575 /nfs/dbraw/zinc/74/15/75/623741575.db2.gz KQILEDJEFZIANY-UHFFFAOYSA-N 0 3 307.434 3.308 20 10 DGCDHN OC1(C(F)F)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000779208447 623741952 /nfs/dbraw/zinc/74/19/52/623741952.db2.gz JMDHEHJHULBLFU-UHFFFAOYSA-N 0 3 324.415 3.269 20 10 DGCDHN COC(=O)c1ccc2c(c1)CN(Cc1cc(C)ccc1O)CC2 ZINC000779598458 623780448 /nfs/dbraw/zinc/78/04/48/623780448.db2.gz APNOCPNWNXDVLY-UHFFFAOYSA-N 0 3 311.381 3.046 20 10 DGCDHN CC(C)C[N@@H+]1CCC[C@@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000877114974 623794151 /nfs/dbraw/zinc/79/41/51/623794151.db2.gz FYAICTNTQXOPQL-ZDUSSCGKSA-N 0 3 312.404 3.128 20 10 DGCDHN CC(C)C[N@H+]1CCC[C@@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000877114974 623794153 /nfs/dbraw/zinc/79/41/53/623794153.db2.gz FYAICTNTQXOPQL-ZDUSSCGKSA-N 0 3 312.404 3.128 20 10 DGCDHN Cc1ccc(CN[C@H](c2nnc3ccccn32)C(C)C)c(O)c1 ZINC000877146808 623807814 /nfs/dbraw/zinc/80/78/14/623807814.db2.gz KUKMWJCGCVOPRK-KRWDZBQOSA-N 0 3 310.401 3.230 20 10 DGCDHN CCCNC(=O)C1([NH2+]Cc2ccc(C)cc2[O-])CCCCC1 ZINC000877356201 623858471 /nfs/dbraw/zinc/85/84/71/623858471.db2.gz MYDKSPVRLDIPCD-UHFFFAOYSA-N 0 3 304.434 3.019 20 10 DGCDHN COc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)c([O-])c1 ZINC000877493831 623910485 /nfs/dbraw/zinc/91/04/85/623910485.db2.gz PDDBSXZVMRTFKC-FZKQIMNGSA-N 0 3 301.386 3.267 20 10 DGCDHN CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000877494094 623910861 /nfs/dbraw/zinc/91/08/61/623910861.db2.gz SNIPQBOFNIDZIW-GTJPDFRWSA-N 0 3 315.350 3.213 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](C)C2)c1[O-] ZINC000780579101 623954262 /nfs/dbraw/zinc/95/42/62/623954262.db2.gz ZDSLEYZVHPIHME-CABZTGNLSA-N 0 3 314.223 3.442 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000877600121 623958129 /nfs/dbraw/zinc/95/81/29/623958129.db2.gz KDQYEEYYXIGHLW-GOSISDBHSA-N 0 3 301.430 3.482 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000877600121 623958133 /nfs/dbraw/zinc/95/81/33/623958133.db2.gz KDQYEEYYXIGHLW-GOSISDBHSA-N 0 3 301.430 3.482 20 10 DGCDHN COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C)cc3[O-])C2)cc1 ZINC000877620063 623965266 /nfs/dbraw/zinc/96/52/66/623965266.db2.gz CVOYLKVBWPFMOY-MRXNPFEDSA-N 0 3 312.413 3.078 20 10 DGCDHN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cc2c(cc1O)OCO2 ZINC000780791980 623985528 /nfs/dbraw/zinc/98/55/28/623985528.db2.gz DMDWHDPCIYZJJD-ONGXEEELSA-N 0 3 317.307 3.284 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1[O-] ZINC000877681437 623989469 /nfs/dbraw/zinc/98/94/69/623989469.db2.gz GSUCWMMJAZIOPK-GIPNMCIBSA-N 0 3 314.223 3.119 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000877731853 624007803 /nfs/dbraw/zinc/00/78/03/624007803.db2.gz XIJIIVUQLLQYHP-CTYIDZIISA-N 0 3 320.433 3.094 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccccc1OCCCCO)c1ccccc1[O-] ZINC000877755885 624022106 /nfs/dbraw/zinc/02/21/06/624022106.db2.gz QTVJOROLDRKODN-OAHLLOKOSA-N 0 3 315.413 3.394 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c1[O-] ZINC000877796330 624037171 /nfs/dbraw/zinc/03/71/71/624037171.db2.gz DDKSTYVBAKSYNF-GFCCVEGCSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)c1[O-] ZINC000877796330 624037173 /nfs/dbraw/zinc/03/71/73/624037173.db2.gz DDKSTYVBAKSYNF-GFCCVEGCSA-N 0 3 313.825 3.037 20 10 DGCDHN Cc1ccc(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c(O)c1 ZINC000877820323 624051975 /nfs/dbraw/zinc/05/19/75/624051975.db2.gz HDYSWXFOJDGFGE-SMDDNHRTSA-N 0 3 303.324 3.242 20 10 DGCDHN Cc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC000877825391 624057868 /nfs/dbraw/zinc/05/78/68/624057868.db2.gz ZLCYKFPBEHERSJ-RISCZKNCSA-N 0 3 303.324 3.242 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CCC2)C1=O ZINC000878565694 624309524 /nfs/dbraw/zinc/30/95/24/624309524.db2.gz RCACNUUSJINXHJ-KRWDZBQOSA-N 0 3 316.445 3.148 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CCC2)C1=O ZINC000878565694 624309528 /nfs/dbraw/zinc/30/95/28/624309528.db2.gz RCACNUUSJINXHJ-KRWDZBQOSA-N 0 3 316.445 3.148 20 10 DGCDHN COCCOc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000783505998 624359785 /nfs/dbraw/zinc/35/97/85/624359785.db2.gz YEPOTPMWMJKNLD-CQSZACIVSA-N 0 3 301.386 3.268 20 10 DGCDHN COC(=O)c1ccc(OC)c(CN[C@@H](C)c2ccccc2O)c1 ZINC000879650175 624623216 /nfs/dbraw/zinc/62/32/16/624623216.db2.gz NCZGWCUBFOCYEL-LBPRGKRZSA-N 0 3 315.369 3.038 20 10 DGCDHN COC(=O)c1ccc(OC)c(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879650175 624623217 /nfs/dbraw/zinc/62/32/17/624623217.db2.gz NCZGWCUBFOCYEL-LBPRGKRZSA-N 0 3 315.369 3.038 20 10 DGCDHN CCN(CCC[NH2+][C@@H](C)c1ccccc1[O-])CC(F)(F)F ZINC000879650817 624624469 /nfs/dbraw/zinc/62/44/69/624624469.db2.gz QWZPZTHYIUPHJO-LBPRGKRZSA-N 0 3 304.356 3.317 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879651809 624624749 /nfs/dbraw/zinc/62/47/49/624624749.db2.gz LHVKVBWBSJJRPJ-KBXCAEBGSA-N 0 3 324.424 3.237 20 10 DGCDHN Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])sc1C ZINC000879651280 624624818 /nfs/dbraw/zinc/62/48/18/624624818.db2.gz PXCNXJZHDWYRFN-QWRGUYRKSA-N 0 3 319.430 3.143 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1[C@H](C)CCC[C@H]1C ZINC000879653990 624626374 /nfs/dbraw/zinc/62/63/74/624626374.db2.gz ZXCQMSJMXKTYFX-KBXIAJHMSA-N 0 3 304.434 3.221 20 10 DGCDHN Cc1cscc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000785520920 624681413 /nfs/dbraw/zinc/68/14/13/624681413.db2.gz DRLHRGURLLEEPS-UHFFFAOYSA-N 0 3 320.433 3.322 20 10 DGCDHN CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccnn1C ZINC000788257568 625105556 /nfs/dbraw/zinc/10/55/56/625105556.db2.gz AHHXEVZGESLKGL-IUODEOHRSA-N 0 3 305.397 3.355 20 10 DGCDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1c([O-])ccc(Cl)c1F ZINC000790956132 625722071 /nfs/dbraw/zinc/72/20/71/625722071.db2.gz OHDKYFPGSCJGMT-NWDGAFQWSA-N 0 3 314.832 3.395 20 10 DGCDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1c([O-])ccc(Cl)c1F ZINC000790956132 625722078 /nfs/dbraw/zinc/72/20/78/625722078.db2.gz OHDKYFPGSCJGMT-NWDGAFQWSA-N 0 3 314.832 3.395 20 10 DGCDHN CC1CCN(c2ccc(CNCc3ccncc3N)cc2)CC1 ZINC000882989947 625887053 /nfs/dbraw/zinc/88/70/53/625887053.db2.gz OXVMSJJDCGLZDA-UHFFFAOYSA-N 0 3 310.445 3.190 20 10 DGCDHN CC[C@@]1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCOC1 ZINC000792193344 625922814 /nfs/dbraw/zinc/92/28/14/625922814.db2.gz SYMRGLKVQZIXBK-CQSZACIVSA-N 0 3 314.223 3.122 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O)c1[O-] ZINC000808706798 626372963 /nfs/dbraw/zinc/37/29/63/626372963.db2.gz VCDXELMWIKGAAT-ZHYXMNDGSA-N 0 3 303.855 3.162 20 10 DGCDHN CCCCN(Cc1ccccc1O)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000801546206 626409262 /nfs/dbraw/zinc/40/92/62/626409262.db2.gz JPNLMGFHLYBHII-IYBDPMFKSA-N 0 3 318.461 3.394 20 10 DGCDHN CCCCN(CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000801597511 626411738 /nfs/dbraw/zinc/41/17/38/626411738.db2.gz IZJMCWSEXXWRQJ-UHFFFAOYSA-N 0 3 318.461 3.397 20 10 DGCDHN CCCCN(CC(=O)NC1CCCC1)Cc1ccccc1O ZINC000801597988 626411747 /nfs/dbraw/zinc/41/17/47/626411747.db2.gz SCYYJWPAPVCCOM-UHFFFAOYSA-N 0 3 304.434 3.053 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H](C)CC ZINC000801598172 626411924 /nfs/dbraw/zinc/41/19/24/626411924.db2.gz WOONZYLKLBJXSM-LSDHHAIUSA-N 0 3 306.450 3.298 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H](C)CC ZINC000801598172 626411925 /nfs/dbraw/zinc/41/19/25/626411925.db2.gz WOONZYLKLBJXSM-LSDHHAIUSA-N 0 3 306.450 3.298 20 10 DGCDHN CCCC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1[O-] ZINC000802657395 626565273 /nfs/dbraw/zinc/56/52/73/626565273.db2.gz CCEFHNKWCFCFKK-UHFFFAOYSA-N 0 3 316.401 3.309 20 10 DGCDHN CCCC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1[O-] ZINC000802657395 626565276 /nfs/dbraw/zinc/56/52/76/626565276.db2.gz CCEFHNKWCFCFKK-UHFFFAOYSA-N 0 3 316.401 3.309 20 10 DGCDHN Cc1cc(O)c(CN2CCOC3(CCOCC3)C2)cc1C(C)C ZINC000131218222 626608342 /nfs/dbraw/zinc/60/83/42/626608342.db2.gz GXNSHZNLJVWXCC-UHFFFAOYSA-N 0 3 319.445 3.205 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1[O-] ZINC000883263074 626628102 /nfs/dbraw/zinc/62/81/02/626628102.db2.gz GEFWILZLKFFQBX-HIFRSBDPSA-N 0 3 323.408 3.158 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000883263426 626628732 /nfs/dbraw/zinc/62/87/32/626628732.db2.gz SKCYKFLMAYHCRJ-HOTGVXAUSA-N 0 3 319.445 3.327 20 10 DGCDHN CCc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000883385240 626668669 /nfs/dbraw/zinc/66/86/69/626668669.db2.gz IFJNRGHNCBGFTD-UHFFFAOYSA-N 0 3 310.445 3.008 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2c1 ZINC000840127674 626790244 /nfs/dbraw/zinc/79/02/44/626790244.db2.gz TXNRUTFDYMFGIM-YJYMSZOUSA-N 0 3 315.413 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)c2c1 ZINC000840127674 626790246 /nfs/dbraw/zinc/79/02/46/626790246.db2.gz TXNRUTFDYMFGIM-YJYMSZOUSA-N 0 3 315.413 3.411 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCC2(C)C)c1[O-] ZINC000808421331 626822651 /nfs/dbraw/zinc/82/26/51/626822651.db2.gz CBHLPFOEQGJTQE-LBPRGKRZSA-N 0 3 314.223 3.442 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)c1[O-] ZINC000808695044 626850658 /nfs/dbraw/zinc/85/06/58/626850658.db2.gz DTJVQXRVVWZUDU-GXTWGEPZSA-N 0 3 313.825 3.200 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c1[O-] ZINC000808701822 626851011 /nfs/dbraw/zinc/85/10/11/626851011.db2.gz JWKLOHAFBAEILM-MKBNYLNASA-N 0 3 308.853 3.487 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1[O-] ZINC000808707856 626851858 /nfs/dbraw/zinc/85/18/58/626851858.db2.gz AXQQACXKCGBOIN-PSASIEDQSA-N 0 3 311.731 3.318 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1[O-] ZINC000808708571 626852176 /nfs/dbraw/zinc/85/21/76/626852176.db2.gz NHHFOJZAXVZSFM-UFBFGSQYSA-N 0 3 311.731 3.318 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1ccccc1[O-] ZINC000808724515 626854357 /nfs/dbraw/zinc/85/43/57/626854357.db2.gz WKRRTXGSWFMMPM-XOYOTBSWSA-N 0 3 316.445 3.080 20 10 DGCDHN COc1ccc(Br)cc1CNCc1ccccc1O ZINC000134236951 626865655 /nfs/dbraw/zinc/86/56/55/626865655.db2.gz JWWUMGGPXOCLTH-UHFFFAOYSA-N 0 3 322.202 3.453 20 10 DGCDHN COc1ccc(Br)cc1C[NH2+]Cc1ccccc1[O-] ZINC000134236951 626865659 /nfs/dbraw/zinc/86/56/59/626865659.db2.gz JWWUMGGPXOCLTH-UHFFFAOYSA-N 0 3 322.202 3.453 20 10 DGCDHN CC(C)(C)C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840148816 626868645 /nfs/dbraw/zinc/86/86/45/626868645.db2.gz ANTOCHDWFMQVFW-WBMJQRKESA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)(C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840148816 626868648 /nfs/dbraw/zinc/86/86/48/626868648.db2.gz ANTOCHDWFMQVFW-WBMJQRKESA-N 0 3 305.418 3.076 20 10 DGCDHN COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000809711371 626939847 /nfs/dbraw/zinc/93/98/47/626939847.db2.gz VOZSLGKPDUQUGK-MRXNPFEDSA-N 0 3 313.397 3.444 20 10 DGCDHN COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000809711371 626939851 /nfs/dbraw/zinc/93/98/51/626939851.db2.gz VOZSLGKPDUQUGK-MRXNPFEDSA-N 0 3 313.397 3.444 20 10 DGCDHN CCOc1ccc(C[N@H+](C)Cc2ccccc2N(C)C)c([O-])c1 ZINC000809788152 626953800 /nfs/dbraw/zinc/95/38/00/626953800.db2.gz OJPDRECPIGQPOP-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)Cc2ccccc2N(C)C)c([O-])c1 ZINC000809788152 626953804 /nfs/dbraw/zinc/95/38/04/626953804.db2.gz OJPDRECPIGQPOP-UHFFFAOYSA-N 0 3 314.429 3.489 20 10 DGCDHN COc1cccc(C2(C[NH2+]Cc3c([O-])cccc3OC)CC2)c1 ZINC000810157292 626982642 /nfs/dbraw/zinc/98/26/42/626982642.db2.gz NZSXCRVJAZGKCV-UHFFFAOYSA-N 0 3 313.397 3.231 20 10 DGCDHN CCCN(CC)C[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000810181166 626984918 /nfs/dbraw/zinc/98/49/18/626984918.db2.gz VXFADYVACJCVNO-NSHDSACASA-N 0 3 302.821 3.395 20 10 DGCDHN CCCN(CC)C[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000810180363 626985031 /nfs/dbraw/zinc/98/50/31/626985031.db2.gz VXFADYVACJCVNO-LLVKDONJSA-N 0 3 302.821 3.395 20 10 DGCDHN COCC[C@H](COC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000810257736 626993915 /nfs/dbraw/zinc/99/39/15/626993915.db2.gz UYDTWHWVKAAAID-WCQYABFASA-N 0 3 301.814 3.056 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c([O-])c1 ZINC000886317928 627136293 /nfs/dbraw/zinc/13/62/93/627136293.db2.gz FAYJVLXGIUCFTB-INIZCTEOSA-N 0 3 305.418 3.230 20 10 DGCDHN CC(C)[C@@H](NCc1ccc2c(c1)CCCN2C)c1cnn(C)c1 ZINC000886519461 627156261 /nfs/dbraw/zinc/15/62/61/627156261.db2.gz VPNDECWXDGAINC-LJQANCHMSA-N 0 3 312.461 3.289 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1cc(F)ccc1[O-] ZINC000886771439 627202946 /nfs/dbraw/zinc/20/29/46/627202946.db2.gz HWRHXCCJGPXAGR-CVRPBIKUSA-N 0 3 323.408 3.155 20 10 DGCDHN CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc([O-])cs1 ZINC000811543362 627290003 /nfs/dbraw/zinc/29/00/03/627290003.db2.gz SPYLDLWBBWQFGL-UHFFFAOYSA-N 0 3 310.463 3.182 20 10 DGCDHN Oc1cc2c(cc1CN1CC[C@@H](n3cc(Cl)cn3)C1)CCC2 ZINC000811802364 627322423 /nfs/dbraw/zinc/32/24/23/627322423.db2.gz XGDVQJYHICFYIF-MRXNPFEDSA-N 0 3 317.820 3.178 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cnn(C(C)(C)C)c2)c1 ZINC000813330617 627478387 /nfs/dbraw/zinc/47/83/87/627478387.db2.gz BDIIIEGQPXTCLS-LBPRGKRZSA-N 0 3 303.406 3.203 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2c[nH]nc2C(C)(C)C)c1 ZINC000813330716 627478748 /nfs/dbraw/zinc/47/87/48/627478748.db2.gz FAPLIPBXFCTKAG-LLVKDONJSA-N 0 3 303.406 3.272 20 10 DGCDHN C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000814178352 627547338 /nfs/dbraw/zinc/54/73/38/627547338.db2.gz MZDYZQBOQGIRAV-CQSZACIVSA-N 0 3 300.377 3.242 20 10 DGCDHN C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccccc1[O-] ZINC000814178352 627547339 /nfs/dbraw/zinc/54/73/39/627547339.db2.gz MZDYZQBOQGIRAV-CQSZACIVSA-N 0 3 300.377 3.242 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000815083372 627624508 /nfs/dbraw/zinc/62/45/08/627624508.db2.gz OIXRALKKSVCWOL-WBVHZDCISA-N 0 3 303.377 3.176 20 10 DGCDHN CCc1nocc1CNC1CCN(c2ccc(OC)cc2)CC1 ZINC000815121277 627630613 /nfs/dbraw/zinc/63/06/13/627630613.db2.gz IYWAIKYCUGRUFS-UHFFFAOYSA-N 0 3 315.417 3.004 20 10 DGCDHN C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CN(C)C ZINC000815627811 627692827 /nfs/dbraw/zinc/69/28/27/627692827.db2.gz KEFQACVOZNQIIL-QWRGUYRKSA-N 0 3 304.356 3.259 20 10 DGCDHN Cc1ccc(C[N@H+](CCO)Cc2ccc3ccccc3c2[O-])o1 ZINC000816596718 627812488 /nfs/dbraw/zinc/81/24/88/627812488.db2.gz NLSRXOMWBBOAOM-UHFFFAOYSA-N 0 3 311.381 3.441 20 10 DGCDHN Cc1ccc(C[N@@H+](CCO)Cc2ccc3ccccc3c2[O-])o1 ZINC000816596718 627812491 /nfs/dbraw/zinc/81/24/91/627812491.db2.gz NLSRXOMWBBOAOM-UHFFFAOYSA-N 0 3 311.381 3.441 20 10 DGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000816603320 627813030 /nfs/dbraw/zinc/81/30/30/627813030.db2.gz FOIVQUWXVUFHTA-UHFFFAOYSA-N 0 3 319.767 3.393 20 10 DGCDHN CCC[N@H+](CC)C[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816615659 627815526 /nfs/dbraw/zinc/81/55/26/627815526.db2.gz BOZMZJUOCFAEGN-LLVKDONJSA-N 0 3 302.821 3.395 20 10 DGCDHN CCC[N@@H+](CC)C[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816615659 627815527 /nfs/dbraw/zinc/81/55/27/627815527.db2.gz BOZMZJUOCFAEGN-LLVKDONJSA-N 0 3 302.821 3.395 20 10 DGCDHN CN1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641893 627818222 /nfs/dbraw/zinc/81/82/22/627818222.db2.gz JIORZSLGNVWWKD-INIZCTEOSA-N 0 3 312.816 3.102 20 10 DGCDHN CN1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641893 627818225 /nfs/dbraw/zinc/81/82/25/627818225.db2.gz JIORZSLGNVWWKD-INIZCTEOSA-N 0 3 312.816 3.102 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@H](O)CC2)c(C(F)(F)F)c1 ZINC000816667629 627823750 /nfs/dbraw/zinc/82/37/50/627823750.db2.gz RWFKVYYEUDQBAY-CQSZACIVSA-N 0 3 316.367 3.118 20 10 DGCDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC000817412427 627896410 /nfs/dbraw/zinc/89/64/10/627896410.db2.gz KYLFNLAHHLOWRH-HIFRSBDPSA-N 0 3 305.418 3.334 20 10 DGCDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC000817412427 627896412 /nfs/dbraw/zinc/89/64/12/627896412.db2.gz KYLFNLAHHLOWRH-HIFRSBDPSA-N 0 3 305.418 3.334 20 10 DGCDHN CC[C@H]([NH2+]C1CCNCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817937308 627966632 /nfs/dbraw/zinc/96/66/32/627966632.db2.gz WGHCPYABENYWAY-LBPRGKRZSA-N 0 3 303.233 3.492 20 10 DGCDHN CC[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940842 627968949 /nfs/dbraw/zinc/96/89/49/627968949.db2.gz LGBILDZLUCIXJL-BXKDBHETSA-N 0 3 303.233 3.492 20 10 DGCDHN CC[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817953813 627973571 /nfs/dbraw/zinc/97/35/71/627973571.db2.gz RSMBPXVOTJZVLA-WCQYABFASA-N 0 3 302.340 3.204 20 10 DGCDHN Cc1c([C@H](C)NCCc2ccc(N)cc2)nnn1-c1ccccc1 ZINC000817955955 627974167 /nfs/dbraw/zinc/97/41/67/627974167.db2.gz MCIUZHVOFQUDHF-AWEZNQCLSA-N 0 3 321.428 3.051 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817971806 627979754 /nfs/dbraw/zinc/97/97/54/627979754.db2.gz QDQJFYTXGFMRHY-UTLUCORTSA-N 0 3 303.233 3.490 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000926919821 627981195 /nfs/dbraw/zinc/98/11/95/627981195.db2.gz GCACKIPEOJFHFH-PWSUYJOCSA-N 0 3 320.330 3.209 20 10 DGCDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(N2CCCCC2)cc1 ZINC000817979817 627981853 /nfs/dbraw/zinc/98/18/53/627981853.db2.gz OVHAJPUYLDNADJ-PBHICJAKSA-N 0 3 323.431 3.325 20 10 DGCDHN C[C@@H]([NH2+]CCCNC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984423 627983069 /nfs/dbraw/zinc/98/30/69/627983069.db2.gz SLBKMVSDDADFRI-SECBINFHSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCCCNC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983693 627983275 /nfs/dbraw/zinc/98/32/75/627983275.db2.gz IHXVKPAZGJUPPT-MNOVXSKESA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@@H](N[C@H]1CCCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983693 627983281 /nfs/dbraw/zinc/98/32/81/627983281.db2.gz IHXVKPAZGJUPPT-MNOVXSKESA-N 0 3 302.340 3.204 20 10 DGCDHN CC[C@@](C)(C(=O)OC)N(Cc1cccc(C)c1O)CC1CC1 ZINC000822504330 628458267 /nfs/dbraw/zinc/45/82/67/628458267.db2.gz RZBQRXNIVNQNLB-SFHVURJKSA-N 0 3 305.418 3.254 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H](Cc2ccccc2)OC)c([O-])c1 ZINC000824589165 628674434 /nfs/dbraw/zinc/67/44/34/628674434.db2.gz BRGDPIQNMNRZQV-SFHVURJKSA-N 0 3 315.413 3.138 20 10 DGCDHN CS[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000824683844 628683740 /nfs/dbraw/zinc/68/37/40/628683740.db2.gz XKEHJTKLJLDREA-GFCCVEGCSA-N 0 3 316.264 3.400 20 10 DGCDHN CS[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000824683844 628683742 /nfs/dbraw/zinc/68/37/42/628683742.db2.gz XKEHJTKLJLDREA-GFCCVEGCSA-N 0 3 316.264 3.400 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c([O-])c1 ZINC000824845362 628699241 /nfs/dbraw/zinc/69/92/41/628699241.db2.gz KFDCQLAXCQJSRU-AEFFLSMTSA-N 0 3 309.450 3.170 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H](C)O ZINC000824922234 628707195 /nfs/dbraw/zinc/70/71/95/628707195.db2.gz YJCAYKQJYYWYDK-KDOFPFPSSA-N 0 3 315.413 3.220 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)c2ccccn2)c1[O-] ZINC000826802343 628888895 /nfs/dbraw/zinc/88/88/95/628888895.db2.gz DTRRNQISELEFFX-NSHDSACASA-N 0 3 306.793 3.343 20 10 DGCDHN CC[N@H+](CCOc1ccccc1OC)Cc1ccccc1[O-] ZINC000827762697 628989532 /nfs/dbraw/zinc/98/95/32/628989532.db2.gz QYIAQHNMTDPFKT-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN CC[N@@H+](CCOc1ccccc1OC)Cc1ccccc1[O-] ZINC000827762697 628989535 /nfs/dbraw/zinc/98/95/35/628989535.db2.gz QYIAQHNMTDPFKT-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000827951071 629007209 /nfs/dbraw/zinc/00/72/09/629007209.db2.gz VLJRXFPOQNLYHO-AWEZNQCLSA-N 0 3 308.853 3.257 20 10 DGCDHN C[C@@H](c1ccccc1)N(CC[S@@](C)=O)Cc1ccccc1O ZINC000828564200 629068582 /nfs/dbraw/zinc/06/85/82/629068582.db2.gz NNOQTXXVHWDKCI-OYHNWAKOSA-N 0 3 317.454 3.334 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]3SCCS[C@@H]13)CC2 ZINC000834697183 629760560 /nfs/dbraw/zinc/76/05/60/629760560.db2.gz HBUUCTSCBAYXJN-NCZKRNLISA-N 0 3 307.484 3.349 20 10 DGCDHN O=C(Nc1ccccc1)C1(N[C@H]2CCc3cccc(O)c32)CC1 ZINC000834773320 629777623 /nfs/dbraw/zinc/77/76/23/629777623.db2.gz FENVDZORYFZNIG-HNNXBMFYSA-N 0 3 308.381 3.140 20 10 DGCDHN CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000834783940 629779828 /nfs/dbraw/zinc/77/98/28/629779828.db2.gz PKBCQNAIHZEFOI-JKSUJKDBSA-N 0 3 311.429 3.304 20 10 DGCDHN Cn1c2ccccc2cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1=O ZINC000834806548 629782552 /nfs/dbraw/zinc/78/25/52/629782552.db2.gz DXRGVDICXFOXRW-MRXNPFEDSA-N 0 3 320.392 3.021 20 10 DGCDHN Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1C ZINC000834912274 629807675 /nfs/dbraw/zinc/80/76/75/629807675.db2.gz CAFPKHXCJZJQMZ-RHSMWYFYSA-N 0 3 317.404 3.402 20 10 DGCDHN CCOc1ccc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c([O-])c1 ZINC000835077182 629844933 /nfs/dbraw/zinc/84/49/33/629844933.db2.gz QJXYXEWEAIJMAG-UHFFFAOYSA-N 0 3 317.433 3.183 20 10 DGCDHN CCOc1ccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c([O-])c1 ZINC000835077182 629844934 /nfs/dbraw/zinc/84/49/34/629844934.db2.gz QJXYXEWEAIJMAG-UHFFFAOYSA-N 0 3 317.433 3.183 20 10 DGCDHN CCNC(=O)C(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000835075759 629845219 /nfs/dbraw/zinc/84/52/19/629845219.db2.gz AAXCJWVEBJLYPZ-UHFFFAOYSA-N 0 3 312.413 3.064 20 10 DGCDHN Cc1nccn1CCC[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840948882 630382823 /nfs/dbraw/zinc/38/28/23/630382823.db2.gz MGKUGYHARAFXHG-UHFFFAOYSA-N 0 3 307.825 3.381 20 10 DGCDHN Cc1nccn1CCC[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840948882 630382827 /nfs/dbraw/zinc/38/28/27/630382827.db2.gz MGKUGYHARAFXHG-UHFFFAOYSA-N 0 3 307.825 3.381 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c([O-])c1 ZINC000840970408 630388956 /nfs/dbraw/zinc/38/89/56/630388956.db2.gz QEFAMXDNXSATGG-SFHVURJKSA-N 0 3 319.445 3.428 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c([O-])c1 ZINC000840970408 630388960 /nfs/dbraw/zinc/38/89/60/630388960.db2.gz QEFAMXDNXSATGG-SFHVURJKSA-N 0 3 319.445 3.428 20 10 DGCDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(N)cc2)N(C)C)cc1 ZINC000841301362 630425412 /nfs/dbraw/zinc/42/54/12/630425412.db2.gz MMUTXXIVLZBUAW-KRWDZBQOSA-N 0 3 312.417 3.002 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1[O-] ZINC000841761736 630463347 /nfs/dbraw/zinc/46/33/47/630463347.db2.gz KLNYNFXAJKXEAT-PWSUYJOCSA-N 0 3 318.795 3.344 20 10 DGCDHN CCN(CC)c1ccc(CNCc2ccc(CO)cc2)cc1F ZINC000842732803 630568954 /nfs/dbraw/zinc/56/89/54/630568954.db2.gz XGKUOKWJKXTNMP-UHFFFAOYSA-N 0 3 316.420 3.454 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1[O-] ZINC000842887585 630589470 /nfs/dbraw/zinc/58/94/70/630589470.db2.gz ZNZPSZVUQUXOHE-RISCZKNCSA-N 0 3 324.852 3.404 20 10 DGCDHN CC[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000842885326 630589616 /nfs/dbraw/zinc/58/96/16/630589616.db2.gz NCNBUVBGKICEJV-SJORKVTESA-N 0 3 317.477 3.193 20 10 DGCDHN Cc1cccc2nc(CC[NH2+][C@H](C)c3cc(F)ccc3[O-])cn21 ZINC000842932452 630594984 /nfs/dbraw/zinc/59/49/84/630594984.db2.gz ALWOOMLBXRPXNO-CYBMUJFWSA-N 0 3 313.376 3.381 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045989 630608573 /nfs/dbraw/zinc/60/85/73/630608573.db2.gz SACSSDKKCSADLR-XJKSGUPXSA-N 0 3 308.853 3.318 20 10 DGCDHN CC[NH2+]CC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000843055770 630609601 /nfs/dbraw/zinc/60/96/01/630609601.db2.gz PABASYOTTFZYHQ-UHFFFAOYSA-N 0 3 300.805 3.006 20 10 DGCDHN Nc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000843356395 630649144 /nfs/dbraw/zinc/64/91/44/630649144.db2.gz MVNGRJVADRQZSH-SFHVURJKSA-N 0 3 312.413 3.156 20 10 DGCDHN Nc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000843356395 630649147 /nfs/dbraw/zinc/64/91/47/630649147.db2.gz MVNGRJVADRQZSH-SFHVURJKSA-N 0 3 312.413 3.156 20 10 DGCDHN CCCN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CC[N@H+](C)C1 ZINC000843423174 630656220 /nfs/dbraw/zinc/65/62/20/630656220.db2.gz YAMXKYSYBJORSR-NSHDSACASA-N 0 3 300.805 3.101 20 10 DGCDHN CCCN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CC[N@@H+](C)C1 ZINC000843423174 630656222 /nfs/dbraw/zinc/65/62/22/630656222.db2.gz YAMXKYSYBJORSR-NSHDSACASA-N 0 3 300.805 3.101 20 10 DGCDHN CCCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000843426140 630657248 /nfs/dbraw/zinc/65/72/48/630657248.db2.gz OKPVTTXWTXFMMO-HNNXBMFYSA-N 0 3 301.814 3.085 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c([O-])c1 ZINC000843432385 630658290 /nfs/dbraw/zinc/65/82/90/630658290.db2.gz CKYPASRAQLECJN-SFHVURJKSA-N 0 3 319.445 3.234 20 10 DGCDHN C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)[C@@H]1CC[NH3+] ZINC000844900685 630970453 /nfs/dbraw/zinc/97/04/53/630970453.db2.gz CQEYFWAGPMEDNQ-GXFFZTMASA-N 0 3 300.805 3.134 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2CC2)c1[O-] ZINC000848518746 631674237 /nfs/dbraw/zinc/67/42/37/631674237.db2.gz NKWRACAAELORIH-QMMMGPOBSA-N 0 3 300.196 3.224 20 10 DGCDHN CCc1cccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1O ZINC000848882730 631769215 /nfs/dbraw/zinc/76/92/15/631769215.db2.gz ZOIVFNPSCSPKSS-GOSISDBHSA-N 0 3 324.424 3.018 20 10 DGCDHN CCc1cccc(CNCc2cc([N+](=O)[O-])ccc2OC)c1O ZINC000848894658 631775737 /nfs/dbraw/zinc/77/57/37/631775737.db2.gz GCFFJJWCCGCSCX-UHFFFAOYSA-N 0 3 316.357 3.161 20 10 DGCDHN CCc1cccc(CNCc2cccnc2OCC(F)F)c1O ZINC000848900520 631778645 /nfs/dbraw/zinc/77/86/45/631778645.db2.gz NEBHMWGYGLREIN-UHFFFAOYSA-N 0 3 322.355 3.283 20 10 DGCDHN COc1cc(O)c(CNCc2cccc(C)c2OC)cc1OC ZINC000848923029 631789054 /nfs/dbraw/zinc/78/90/54/631789054.db2.gz CKUFPBVIKSHZRS-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c([O-])c1 ZINC000848927449 631791125 /nfs/dbraw/zinc/79/11/25/631791125.db2.gz ZZDGYQCTZXVNDF-INIZCTEOSA-N 0 3 323.433 3.247 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c([O-])c1 ZINC000848927450 631791361 /nfs/dbraw/zinc/79/13/61/631791361.db2.gz ZZDGYQCTZXVNDF-MRXNPFEDSA-N 0 3 323.433 3.247 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]C2CC(C)(C)C2)c1[O-] ZINC000850415929 632146227 /nfs/dbraw/zinc/14/62/27/632146227.db2.gz YWOMTYHLEGLGEK-UHFFFAOYSA-N 0 3 314.223 3.442 20 10 DGCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(F)cn3)C2)cc1 ZINC000850489652 632168342 /nfs/dbraw/zinc/16/83/42/632168342.db2.gz WGSKIIBSVLBGFD-UKRRQHHQSA-N 0 3 315.392 3.159 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1[O-] ZINC000850502419 632173588 /nfs/dbraw/zinc/17/35/88/632173588.db2.gz WCHIOVIJVMMJHY-CVEARBPZSA-N 0 3 310.397 3.021 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2COc3cc(F)ccc3C2)c([O-])c1 ZINC000850536770 632185764 /nfs/dbraw/zinc/18/57/64/632185764.db2.gz JSUZMWGKBJRRGH-IUODEOHRSA-N 0 3 301.361 3.494 20 10 DGCDHN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCc3cccc([O-])c32)cn1 ZINC000850541291 632186827 /nfs/dbraw/zinc/18/68/27/632186827.db2.gz UVXFYSGSGHELJR-GVDBMIGSSA-N 0 3 311.429 3.114 20 10 DGCDHN CC[C@@H](CC(F)F)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000851713343 632472697 /nfs/dbraw/zinc/47/26/97/632472697.db2.gz BTHHWEBNLRWYBN-AWEZNQCLSA-N 0 3 312.404 3.499 20 10 DGCDHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CCC1 ZINC000851840425 632506902 /nfs/dbraw/zinc/50/69/02/632506902.db2.gz GPXVWIZPXBQFAS-PKOBYXMFSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CCC1 ZINC000851840425 632506908 /nfs/dbraw/zinc/50/69/08/632506908.db2.gz GPXVWIZPXBQFAS-PKOBYXMFSA-N 0 3 319.445 3.188 20 10 DGCDHN CCN(C)c1ccc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1 ZINC000852036476 632543567 /nfs/dbraw/zinc/54/35/67/632543567.db2.gz YQPNXJPXZQZCCO-GJZGRUSLSA-N 0 3 318.383 3.180 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184801003 660187683 /nfs/dbraw/zinc/18/76/83/660187683.db2.gz VBSIZDFXYCEKEV-LJQANCHMSA-N 0 3 310.441 3.489 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184801003 660187684 /nfs/dbraw/zinc/18/76/84/660187684.db2.gz VBSIZDFXYCEKEV-LJQANCHMSA-N 0 3 310.441 3.489 20 10 DGCDHN COCC1=CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000185035361 660199892 /nfs/dbraw/zinc/19/98/92/660199892.db2.gz UQXYNAWTDQLPTH-UHFFFAOYSA-N 0 3 305.418 3.174 20 10 DGCDHN CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185021312 660198987 /nfs/dbraw/zinc/19/89/87/660198987.db2.gz CAQXYSCMJIGEGA-LLVKDONJSA-N 0 3 302.349 3.341 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cc(F)ccc1[O-] ZINC000186230773 660350524 /nfs/dbraw/zinc/35/05/24/660350524.db2.gz CAVVEUFUNNVVMQ-JSGCOSHPSA-N 0 3 309.381 3.258 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c([O-])c1 ZINC000186230604 660350678 /nfs/dbraw/zinc/35/06/78/660350678.db2.gz QHAKACTYUQWQKB-LSDHHAIUSA-N 0 3 305.418 3.427 20 10 DGCDHN COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000186752199 660573146 /nfs/dbraw/zinc/57/31/46/660573146.db2.gz QLZDIYUIRKVCDL-UONOGXRCSA-N 0 3 320.433 3.218 20 10 DGCDHN CC(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794706327 661100055 /nfs/dbraw/zinc/10/00/55/661100055.db2.gz OVZRDCCQHSSANP-BBRMVZONSA-N 0 3 305.418 3.076 20 10 DGCDHN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794706327 661100058 /nfs/dbraw/zinc/10/00/58/661100058.db2.gz OVZRDCCQHSSANP-BBRMVZONSA-N 0 3 305.418 3.076 20 10 DGCDHN CC[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc(C)cc1[O-] ZINC000794809910 661106565 /nfs/dbraw/zinc/10/65/65/661106565.db2.gz RUOWIXPCXCOIEU-MRXNPFEDSA-N 0 3 304.434 3.144 20 10 DGCDHN CC[C@@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccc(C)cc1[O-] ZINC000794810877 661106692 /nfs/dbraw/zinc/10/66/92/661106692.db2.gz NDAMLLFRJKRHRR-AEFFLSMTSA-N 0 3 318.461 3.388 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794818595 661106975 /nfs/dbraw/zinc/10/69/75/661106975.db2.gz VRGOKIYMONDCNP-SJLPKXTDSA-N 0 3 317.404 3.484 20 10 DGCDHN COc1cc(CN2CCC(C(F)(F)F)CC2)c(O)cc1C ZINC000160311382 655605610 /nfs/dbraw/zinc/60/56/10/655605610.db2.gz PJVNSSSGTGPADX-UHFFFAOYSA-N 0 3 303.324 3.484 20 10 DGCDHN COC(=O)c1ccc(Cl)c(CNCc2ccccc2O)c1 ZINC000795911323 661178938 /nfs/dbraw/zinc/17/89/38/661178938.db2.gz JUVCIFNZUNLECN-UHFFFAOYSA-N 0 3 305.761 3.122 20 10 DGCDHN COc1cc(Br)cc(CN2CCC(C)CC2)c1O ZINC000158846709 655854622 /nfs/dbraw/zinc/85/46/22/655854622.db2.gz QWVHMYRIRUGBCS-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1cc(F)ccc1[O-] ZINC000176980972 655885631 /nfs/dbraw/zinc/88/56/31/655885631.db2.gz GQEFORNBWIUFFB-CXAGYDPISA-N 0 3 302.393 3.485 20 10 DGCDHN CCN(Cc1cnn2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000179491344 655893888 /nfs/dbraw/zinc/89/38/88/655893888.db2.gz WDEOVIHXHAKJOI-UHFFFAOYSA-N 0 3 308.429 3.422 20 10 DGCDHN CN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000179584569 655909431 /nfs/dbraw/zinc/90/94/31/655909431.db2.gz ZQNANYGIWHHQCH-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN CN(C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000179584569 655909433 /nfs/dbraw/zinc/90/94/33/655909433.db2.gz ZQNANYGIWHHQCH-HNNXBMFYSA-N 0 3 320.433 3.224 20 10 DGCDHN CCOC[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000177628741 655936265 /nfs/dbraw/zinc/93/62/65/655936265.db2.gz GSOAGVPKABOADR-CQSZACIVSA-N 0 3 315.413 3.412 20 10 DGCDHN CCOC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000177628741 655936267 /nfs/dbraw/zinc/93/62/67/655936267.db2.gz GSOAGVPKABOADR-CQSZACIVSA-N 0 3 315.413 3.412 20 10 DGCDHN CCOC[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000177628751 655936303 /nfs/dbraw/zinc/93/63/03/655936303.db2.gz GSOAGVPKABOADR-AWEZNQCLSA-N 0 3 315.413 3.412 20 10 DGCDHN CCOC[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000177628751 655936304 /nfs/dbraw/zinc/93/63/04/655936304.db2.gz GSOAGVPKABOADR-AWEZNQCLSA-N 0 3 315.413 3.412 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000715103776 661208322 /nfs/dbraw/zinc/20/83/22/661208322.db2.gz OKWIASASWIMLBA-IHRRRGAJSA-N 0 3 320.433 3.346 20 10 DGCDHN CC[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccccc1[O-] ZINC000311826369 656016244 /nfs/dbraw/zinc/01/62/44/656016244.db2.gz RGAXIKVZWLSYIK-CYBMUJFWSA-N 0 3 324.222 3.092 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)CC2 ZINC000716235147 661220250 /nfs/dbraw/zinc/22/02/50/661220250.db2.gz AQBDXASHHYOYIV-MSOLQXFVSA-N 0 3 308.425 3.244 20 10 DGCDHN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(F)ccc1[O-] ZINC000185443834 656126469 /nfs/dbraw/zinc/12/64/69/656126469.db2.gz QAPUFFBBNAEICK-GFCCVEGCSA-N 0 3 302.349 3.211 20 10 DGCDHN Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000191564968 656170785 /nfs/dbraw/zinc/17/07/85/656170785.db2.gz XAMKVCDYHJRKJR-CZUORRHYSA-N 0 3 303.377 3.094 20 10 DGCDHN C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000317536499 656628782 /nfs/dbraw/zinc/62/87/82/656628782.db2.gz KXOWZZOBFOXUKX-MLGOLLRUSA-N 0 3 305.397 3.493 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[O-] ZINC000320188097 657431458 /nfs/dbraw/zinc/43/14/58/657431458.db2.gz OZGKWRAXXFYHRQ-SMDDNHRTSA-N 0 3 311.385 3.364 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CC(C)C)N(C)C)c1[O-] ZINC000228670783 657999403 /nfs/dbraw/zinc/99/94/03/657999403.db2.gz GVHCRESQXOAZSE-CQSZACIVSA-N 0 3 314.857 3.120 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321328308 658166284 /nfs/dbraw/zinc/16/62/84/658166284.db2.gz JBNHCRWPDACELV-ZJUUUORDSA-N 0 3 315.348 3.113 20 10 DGCDHN CC[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000156270624 658741656 /nfs/dbraw/zinc/74/16/56/658741656.db2.gz XNRZDFVZHBGECE-AWEZNQCLSA-N 0 3 306.406 3.052 20 10 DGCDHN CC[C@H]([NH2+]CCCNC(=O)c1occc1C)c1ccccc1[O-] ZINC000156644252 658931668 /nfs/dbraw/zinc/93/16/68/658931668.db2.gz NUVDVXIONGPLKO-HNNXBMFYSA-N 0 3 316.401 3.154 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](SC)C2)c1[O-] ZINC000230934998 659357575 /nfs/dbraw/zinc/35/75/75/659357575.db2.gz QHPLAPLMDYHWSZ-NEPJUHHUSA-N 0 3 301.839 3.428 20 10 DGCDHN CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1ccccc1[O-] ZINC000230950814 659359335 /nfs/dbraw/zinc/35/93/35/659359335.db2.gz CMCIGFGVXKKAHH-OAHLLOKOSA-N 0 3 322.449 3.279 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000180262103 659957620 /nfs/dbraw/zinc/95/76/20/659957620.db2.gz MHTUJGJGDLNYOM-GOSISDBHSA-N 0 3 315.388 3.365 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000180262103 659957621 /nfs/dbraw/zinc/95/76/21/659957621.db2.gz MHTUJGJGDLNYOM-GOSISDBHSA-N 0 3 315.388 3.365 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000182361053 660045885 /nfs/dbraw/zinc/04/58/85/660045885.db2.gz RPUCGTLPABGKMK-NSHDSACASA-N 0 3 300.333 3.262 20 10 DGCDHN COCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183148239 660103027 /nfs/dbraw/zinc/10/30/27/660103027.db2.gz KRLYAKGIDLVSMY-UHFFFAOYSA-N 0 3 315.413 3.486 20 10 DGCDHN C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000183398130 660109586 /nfs/dbraw/zinc/10/95/86/660109586.db2.gz HFMABUYUEJNGDS-MRXNPFEDSA-N 0 3 310.441 3.491 20 10 DGCDHN C[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1[O-] ZINC000183405048 660110263 /nfs/dbraw/zinc/11/02/63/660110263.db2.gz FBKQEYSMCWRZOZ-HNNXBMFYSA-N 0 3 307.397 3.471 20 10 DGCDHN CCCC[N@H+](Cc1cnn(CCF)c1)Cc1ccccc1[O-] ZINC000930351651 661391727 /nfs/dbraw/zinc/39/17/27/661391727.db2.gz QGXDZRFNWYJQEH-UHFFFAOYSA-N 0 3 305.397 3.361 20 10 DGCDHN CCCC[N@@H+](Cc1cnn(CCF)c1)Cc1ccccc1[O-] ZINC000930351651 661391729 /nfs/dbraw/zinc/39/17/29/661391729.db2.gz QGXDZRFNWYJQEH-UHFFFAOYSA-N 0 3 305.397 3.361 20 10 DGCDHN CC[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000155504684 661847974 /nfs/dbraw/zinc/84/79/74/661847974.db2.gz AALQHJLBAJVWGX-QGZVFWFLSA-N 0 3 312.413 3.139 20 10 DGCDHN COc1cc(CN(C)Cc2ccc(OC)c(F)c2)c(O)cc1C ZINC000159500683 661889451 /nfs/dbraw/zinc/88/94/51/661889451.db2.gz BBLKVHFTFXLWBN-UHFFFAOYSA-N 0 3 319.376 3.489 20 10 DGCDHN C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000188519537 661933799 /nfs/dbraw/zinc/93/37/99/661933799.db2.gz WBJHJSFVNCFZOT-LBPRGKRZSA-N 0 3 316.367 3.317 20 10 DGCDHN C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000192691165 662108267 /nfs/dbraw/zinc/10/82/67/662108267.db2.gz NZWSQZBVPWHDDZ-GHMZBOCLSA-N 0 3 312.385 3.095 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000194683704 662171345 /nfs/dbraw/zinc/17/13/45/662171345.db2.gz ZXEFJTHSFIFQBQ-NSHDSACASA-N 0 3 302.330 3.160 20 10 DGCDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccnc1 ZINC000092739794 662335276 /nfs/dbraw/zinc/33/52/76/662335276.db2.gz OKPWAXJNYVDHMK-HNNXBMFYSA-N 0 3 313.470 3.486 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(CO)o1)C1CCCC1 ZINC000093319288 662352347 /nfs/dbraw/zinc/35/23/47/662352347.db2.gz OGAGTIOUNYJXMV-UHFFFAOYSA-N 0 3 301.386 3.422 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(CO)o1)C1CCCC1 ZINC000093319288 662352350 /nfs/dbraw/zinc/35/23/50/662352350.db2.gz OGAGTIOUNYJXMV-UHFFFAOYSA-N 0 3 301.386 3.422 20 10 DGCDHN COc1cccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000093324806 662352598 /nfs/dbraw/zinc/35/25/98/662352598.db2.gz IFBYATLEIJMXFA-CYBMUJFWSA-N 0 3 301.386 3.169 20 10 DGCDHN COc1cccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000093324806 662352600 /nfs/dbraw/zinc/35/26/00/662352600.db2.gz IFBYATLEIJMXFA-CYBMUJFWSA-N 0 3 301.386 3.169 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@](C)(CO)c2ccccc2)c1[O-] ZINC000389612133 685194702 /nfs/dbraw/zinc/19/47/02/685194702.db2.gz YCAABABUJUQOGQ-QGZVFWFLSA-N 0 3 321.804 3.052 20 10 DGCDHN COc1cc(Cl)cc(CN[C@](C)(CO)c2ccccc2)c1O ZINC000389612133 685194706 /nfs/dbraw/zinc/19/47/06/685194706.db2.gz YCAABABUJUQOGQ-QGZVFWFLSA-N 0 3 321.804 3.052 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@@H](CO)CC2CCCC2)cc1F ZINC001620914802 1192595885 /nfs/dbraw/zinc/59/58/85/1192595885.db2.gz HEKBDTHEOQWLSK-CQSZACIVSA-N 0 3 312.404 3.062 20 10 DGCDHN Cc1cccc(C[N@@H+](C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC001592230120 1192603697 /nfs/dbraw/zinc/60/36/97/1192603697.db2.gz LYVZEULRRYLRGJ-CYBMUJFWSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1cccc(C[N@H+](C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC001592230120 1192603698 /nfs/dbraw/zinc/60/36/98/1192603698.db2.gz LYVZEULRRYLRGJ-CYBMUJFWSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1cccc(C[N@@H+](C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001592230120 1192603699 /nfs/dbraw/zinc/60/36/99/1192603699.db2.gz LYVZEULRRYLRGJ-CYBMUJFWSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1cccc(C[N@H+](C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001592230120 1192603700 /nfs/dbraw/zinc/60/37/00/1192603700.db2.gz LYVZEULRRYLRGJ-CYBMUJFWSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC001331056758 1178124891 /nfs/dbraw/zinc/12/48/91/1178124891.db2.gz ADQPAAQMBWRKAZ-MJGOQNOKSA-N 0 3 314.404 3.375 20 10 DGCDHN CCOc1ccc(C[NH+]2CC(CC3CCOCC3)C2)c([O-])c1 ZINC001331566079 1178249376 /nfs/dbraw/zinc/24/93/76/1178249376.db2.gz LWOMZIFPNNBLFK-UHFFFAOYSA-N 0 3 305.418 3.039 20 10 DGCDHN CC[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccccc1[O-] ZINC001334889198 1178823245 /nfs/dbraw/zinc/82/32/45/1178823245.db2.gz HVJUTFWAWPJYES-LBPRGKRZSA-N 0 3 313.323 3.385 20 10 DGCDHN COc1cc(Br)cc(C[NH2+]CCCC(F)F)c1[O-] ZINC001335018795 1178844020 /nfs/dbraw/zinc/84/40/20/1178844020.db2.gz UIWYOBFQNHVCHN-UHFFFAOYSA-N 0 3 324.165 3.298 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCS[C@H](C)C2)c1[O-] ZINC001343288370 1179251862 /nfs/dbraw/zinc/25/18/62/1179251862.db2.gz UHDJSXKTTHWPMH-SKDRFNHKSA-N 0 3 301.839 3.428 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)c(O)c1OC ZINC001355253548 1181021724 /nfs/dbraw/zinc/02/17/24/1181021724.db2.gz SCWFOZWNQZLRJW-LBPRGKRZSA-N 0 3 319.405 3.038 20 10 DGCDHN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CN1CCCCC1 ZINC001461084056 1182765258 /nfs/dbraw/zinc/76/52/58/1182765258.db2.gz FGGRNXLIILPIKC-GFCCVEGCSA-N 0 3 314.832 3.396 20 10 DGCDHN COC(=O)C(C)(C)C[N@@H+](Cc1ccc(C)cc1[O-])CC(C)C ZINC001462544423 1182967184 /nfs/dbraw/zinc/96/71/84/1182967184.db2.gz WBWMBMMIOLIXDV-UHFFFAOYSA-N 0 3 307.434 3.358 20 10 DGCDHN COC(=O)C(C)(C)C[N@H+](Cc1ccc(C)cc1[O-])CC(C)C ZINC001462544423 1182967187 /nfs/dbraw/zinc/96/71/87/1182967187.db2.gz WBWMBMMIOLIXDV-UHFFFAOYSA-N 0 3 307.434 3.358 20 10 DGCDHN COC(=O)c1ccc(F)c(CN[C@H](C)c2ccccc2O)c1 ZINC001473722843 1183793474 /nfs/dbraw/zinc/79/34/74/1183793474.db2.gz PZAFOABXKSMLHU-LLVKDONJSA-N 0 3 303.333 3.169 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC001474378737 1183911703 /nfs/dbraw/zinc/91/17/03/1183911703.db2.gz GVEYRZGHMLCHQH-AJNOYIKESA-N 0 3 322.456 3.435 20 10 DGCDHN CCC[C@@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539707379 1188200303 /nfs/dbraw/zinc/20/03/03/1188200303.db2.gz RCXHWQOUAIWBBG-CRAIPNDOSA-N 0 3 319.493 3.298 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001560282930 1189305192 /nfs/dbraw/zinc/30/51/92/1189305192.db2.gz NHKFDURNYPOZFL-ONEGZZNKSA-N 0 3 311.385 3.464 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC(OCC3CC3)CC2)c([O-])c1 ZINC001560661863 1189357246 /nfs/dbraw/zinc/35/72/46/1189357246.db2.gz JZMRQVJGVLQXKG-UHFFFAOYSA-N 0 3 305.418 3.100 20 10 DGCDHN Cc1nc(N2CCN(Cc3ccc(C)cc3O)CC2)sc1C ZINC001560662232 1189357391 /nfs/dbraw/zinc/35/73/91/1189357391.db2.gz TUHMAUHWHKTEKQ-UHFFFAOYSA-N 0 3 317.458 3.096 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc(F)c1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC001560749247 1189374474 /nfs/dbraw/zinc/37/44/74/1189374474.db2.gz DHFXHZRXYPNANJ-DZGCQCFKSA-N 0 3 306.425 3.274 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC001560840091 1189392464 /nfs/dbraw/zinc/39/24/64/1189392464.db2.gz IOXQEZZVNUKUDP-UHFFFAOYSA-N 0 3 313.731 3.492 20 10 DGCDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001621399759 1193837962 /nfs/dbraw/zinc/83/79/62/1193837962.db2.gz OWXUNHSKEKHGET-STQMWFEESA-N 0 3 323.408 3.474 20 10 DGCDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC001621399759 1193837971 /nfs/dbraw/zinc/83/79/71/1193837971.db2.gz OWXUNHSKEKHGET-STQMWFEESA-N 0 3 323.408 3.474 20 10 DGCDHN COc1cc(C)c(CN[C@@H](c2ccccc2F)[C@H](C)O)c(O)c1 ZINC001621422856 1193841316 /nfs/dbraw/zinc/84/13/16/1193841316.db2.gz FXVFWRAGMFUHFI-KPZWWZAWSA-N 0 3 319.376 3.060 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001621567211 1193859243 /nfs/dbraw/zinc/85/92/43/1193859243.db2.gz GCASHHFFDCMGBG-GOSISDBHSA-N 0 3 301.361 3.495 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001621567211 1193859245 /nfs/dbraw/zinc/85/92/45/1193859245.db2.gz GCASHHFFDCMGBG-GOSISDBHSA-N 0 3 301.361 3.495 20 10 DGCDHN CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCCO1 ZINC001651269067 1195435405 /nfs/dbraw/zinc/43/54/05/1195435405.db2.gz JEEKVIHYIJONNP-WBVHZDCISA-N 0 3 312.404 3.468 20 10 DGCDHN C[C@@H]1CC[C@](CO)(NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC001651685036 1195496995 /nfs/dbraw/zinc/49/69/95/1195496995.db2.gz SYVKSAAPKZUASP-QVKFZJNVSA-N 0 3 323.436 3.496 20 10 DGCDHN Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c([O-])c1 ZINC001653098335 1195687497 /nfs/dbraw/zinc/68/74/97/1195687497.db2.gz XHPMFHXHKGNMJF-AZUAARDMSA-N 0 3 309.409 3.101 20 10 DGCDHN Cc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c([O-])c1 ZINC001653098335 1195687500 /nfs/dbraw/zinc/68/75/00/1195687500.db2.gz XHPMFHXHKGNMJF-AZUAARDMSA-N 0 3 309.409 3.101 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCCCC23OCCO3)cc1 ZINC001653246667 1195703324 /nfs/dbraw/zinc/70/33/24/1195703324.db2.gz WFDYNENSTHWBKM-OOFWQKGWSA-N 0 3 316.445 3.041 20 10 DGCDHN CCOc1ccc(N2CCN(C[C@@H](CC(C)C)OC)CC2)cc1 ZINC001653840649 1195754240 /nfs/dbraw/zinc/75/42/40/1195754240.db2.gz LQJZXIYKOMOFSW-LJQANCHMSA-N 0 3 320.477 3.268 20 10 DGCDHN COc1ccc(CNCc2ccsc2)cc1Cn1cccn1 ZINC001655287743 1195900422 /nfs/dbraw/zinc/90/04/22/1195900422.db2.gz VMLOCYZKTNQOLT-UHFFFAOYSA-N 0 3 313.426 3.291 20 10 DGCDHN CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC001655693762 1195951469 /nfs/dbraw/zinc/95/14/69/1195951469.db2.gz RXDYACXKHRBYNI-ARJAWSKDSA-N 0 3 300.377 3.400 20 10 DGCDHN CCN(Cc1ccc(C)cc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC001657209449 1196119109 /nfs/dbraw/zinc/11/91/09/1196119109.db2.gz XLANJBFLLXDOGH-GOSISDBHSA-N 0 3 324.424 3.328 20 10 DGCDHN COC(=O)c1c(CN(C)CCC2CC2)c2cc(F)ccc2n1C ZINC001657228710 1196120813 /nfs/dbraw/zinc/12/08/13/1196120813.db2.gz DXJXFRXZPSIPHM-UHFFFAOYSA-N 0 3 318.392 3.336 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC001659250724 1196363409 /nfs/dbraw/zinc/36/34/09/1196363409.db2.gz VXUMDTXTKIZHPZ-KBXCAEBGSA-N 0 3 307.434 3.250 20 10 DGCDHN CC(C)[C@H](C[NH2+]Cc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC001659542884 1196394005 /nfs/dbraw/zinc/39/40/05/1196394005.db2.gz UEVNFEOHTDNGIF-AWEZNQCLSA-N 0 3 311.397 3.235 20 10 DGCDHN CCn1nc(C)c(CN(C)Cc2c(C)cc(OC)cc2O)c1C ZINC001659789852 1196414603 /nfs/dbraw/zinc/41/46/03/1196414603.db2.gz JOAXCOUMWNNZFR-UHFFFAOYSA-N 0 3 317.433 3.174 20 10 DGCDHN CCC[C@@H](CCO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001659841592 1196420187 /nfs/dbraw/zinc/42/01/87/1196420187.db2.gz PMSFGGHJTBHLND-ZDUSSCGKSA-N 0 3 316.239 3.104 20 10 DGCDHN COC(C)(C)[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001660051042 1196440902 /nfs/dbraw/zinc/44/09/02/1196440902.db2.gz DEFVWIQDDYIHLO-JTQLQIEISA-N 0 3 316.239 3.366 20 10 DGCDHN CCCOc1ccc(CN[C@H](COC)[C@@H]2CCCO2)cc1C ZINC001662332309 1196709202 /nfs/dbraw/zinc/70/92/02/1196709202.db2.gz HFTHLICQQXSBQH-AEFFLSMTSA-N 0 3 307.434 3.067 20 10 DGCDHN CC[C@@H](C)[C@H](CNCc1cc(F)c(N(C)C)cc1F)OC ZINC001662495342 1196725662 /nfs/dbraw/zinc/72/56/62/1196725662.db2.gz HGGUHYRGUYBEDK-BZNIZROVSA-N 0 3 300.393 3.182 20 10 DGCDHN COC(=O)c1c(CN2C[C@H](C)C[C@H]2C)c2cc(F)ccc2n1C ZINC001663591962 1196909825 /nfs/dbraw/zinc/90/98/25/1196909825.db2.gz YCJNATRBAMNENZ-VXGBXAGGSA-N 0 3 318.392 3.334 20 10 DGCDHN CCO[C@H]1C[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C12CCC2 ZINC001663821125 1196948601 /nfs/dbraw/zinc/94/86/01/1196948601.db2.gz CVSBZEUZMLHIKM-ROUUACIJSA-N 0 3 319.445 3.489 20 10 DGCDHN CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C12CCC2 ZINC001663821125 1196948605 /nfs/dbraw/zinc/94/86/05/1196948605.db2.gz CVSBZEUZMLHIKM-ROUUACIJSA-N 0 3 319.445 3.489 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H](C)c2ncc(C)s2)c([O-])c1 ZINC001664210301 1196980338 /nfs/dbraw/zinc/98/03/38/1196980338.db2.gz XPZRUWRIQSDGQM-LLVKDONJSA-N 0 3 306.431 3.367 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c([O-])c1 ZINC001665122717 1197100263 /nfs/dbraw/zinc/10/02/63/1197100263.db2.gz JBWWLQRWGIHJQP-CQSZACIVSA-N 0 3 305.418 3.291 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c([O-])c1 ZINC001665795434 1197199005 /nfs/dbraw/zinc/19/90/05/1197199005.db2.gz FUKHILOCXLZKNO-AWEZNQCLSA-N 0 3 305.418 3.291 20 10 DGCDHN C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593263710 994561270 /nfs/dbraw/zinc/56/12/70/994561270.db2.gz BTLOXJKBFPNNKM-CQSZACIVSA-N 0 3 320.433 3.007 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H](OC)C2CCCCC2)c([O-])c1 ZINC001206810496 1081693824 /nfs/dbraw/zinc/69/38/24/1081693824.db2.gz SLZBEGOZTMYDDY-GOSISDBHSA-N 0 3 307.434 3.394 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001140057866 1081777512 /nfs/dbraw/zinc/77/75/12/1081777512.db2.gz QMYMYQPAPHICBX-QMTHXVAHSA-N 0 3 321.314 3.057 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001140057866 1081777517 /nfs/dbraw/zinc/77/75/17/1081777517.db2.gz QMYMYQPAPHICBX-QMTHXVAHSA-N 0 3 321.314 3.057 20 10 DGCDHN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CN1CCCC1 ZINC001648832650 1081937775 /nfs/dbraw/zinc/93/77/75/1081937775.db2.gz GJDZCAULWREZIF-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN C[C@@H](CNCc1cc(Cl)cc(F)c1[O-])C[NH+]1CCCC1 ZINC001648832650 1081937777 /nfs/dbraw/zinc/93/77/77/1081937777.db2.gz GJDZCAULWREZIF-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3NC[C@H]4C[C@H]43)n2)cc1 ZINC001211565534 1082651636 /nfs/dbraw/zinc/65/16/36/1082651636.db2.gz GLEUTVQTNMQEFG-OIISXLGYSA-N 0 3 320.396 3.425 20 10 DGCDHN CN(C)c1ccc(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)c(Cl)c1 ZINC001140927226 1083189212 /nfs/dbraw/zinc/18/92/12/1083189212.db2.gz JXFQWTBSEHVNAW-DOMZBBRYSA-N 0 3 306.837 3.207 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCCOC(C)(C)C)c1[O-] ZINC000695286744 1083255206 /nfs/dbraw/zinc/25/52/06/1083255206.db2.gz YANMQFIHRKQJBM-UHFFFAOYSA-N 0 3 301.814 3.349 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c([O-])c1 ZINC001183822783 1084046279 /nfs/dbraw/zinc/04/62/79/1084046279.db2.gz MGAKGUWLWKMQPJ-CQSZACIVSA-N 0 3 305.418 3.148 20 10 DGCDHN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000697891562 1087373026 /nfs/dbraw/zinc/37/30/26/1087373026.db2.gz ZAIHLIVYAPNTIU-STQMWFEESA-N 0 3 308.422 3.204 20 10 DGCDHN CC[C@H](C)N1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619035 1088326606 /nfs/dbraw/zinc/32/66/06/1088326606.db2.gz QQZPYXFTFCSIFD-HNNXBMFYSA-N 0 3 316.445 3.005 20 10 DGCDHN Cc1nc(NCc2cc3ccccc3cc2O)cc(N(C)C)n1 ZINC001160207267 1088697815 /nfs/dbraw/zinc/69/78/15/1088697815.db2.gz VMLVYBUDERCAKY-UHFFFAOYSA-N 0 3 308.385 3.322 20 10 DGCDHN CN(C)c1ccc(CN(C)c2ccc(CN3CCCC3)cn2)cc1 ZINC001156921353 1089745047 /nfs/dbraw/zinc/74/50/47/1089745047.db2.gz YJCLGFFCIBFXEA-UHFFFAOYSA-N 0 3 324.472 3.380 20 10 DGCDHN COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccccc3[O-])CCO2)cc1 ZINC001168583806 1090584327 /nfs/dbraw/zinc/58/43/27/1090584327.db2.gz KJIWOWLKIBBPOF-QFBILLFUSA-N 0 3 313.397 3.411 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550395 1090753195 /nfs/dbraw/zinc/75/31/95/1090753195.db2.gz UXDBSNGRSSJUNN-SFHVURJKSA-N 0 3 320.433 3.271 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550395 1090753202 /nfs/dbraw/zinc/75/32/02/1090753202.db2.gz UXDBSNGRSSJUNN-SFHVURJKSA-N 0 3 320.433 3.271 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001203630355 1090769213 /nfs/dbraw/zinc/76/92/13/1090769213.db2.gz QQCVACSWSKCTIP-KRWDZBQOSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001203630355 1090769217 /nfs/dbraw/zinc/76/92/17/1090769217.db2.gz QQCVACSWSKCTIP-KRWDZBQOSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1ccc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c([O-])c1 ZINC001203634691 1090770382 /nfs/dbraw/zinc/77/03/82/1090770382.db2.gz RAISAAHYOTYFMQ-UHFFFAOYSA-N 0 3 305.418 3.324 20 10 DGCDHN Cc1cccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)c1 ZINC001203929456 1090841573 /nfs/dbraw/zinc/84/15/73/1090841573.db2.gz DDKCAHICBUQXFF-UHFFFAOYSA-N 0 3 309.457 3.383 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cc1 ZINC001203937182 1090844541 /nfs/dbraw/zinc/84/45/41/1090844541.db2.gz QVQBPMICRQCUSC-RBUKOAKNSA-N 0 3 319.468 3.151 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cc1 ZINC001203937177 1090844597 /nfs/dbraw/zinc/84/45/97/1090844597.db2.gz QVQBPMICRQCUSC-OALUTQOASA-N 0 3 319.468 3.151 20 10 DGCDHN COc1cc(CN2CCC(c3ccccc3)CC2)cc(O)c1O ZINC001204346921 1090952469 /nfs/dbraw/zinc/95/24/69/1090952469.db2.gz JGOQNWFOZXHCQN-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN CC[C@H](C)[C@@H](CN1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC001204388415 1090959820 /nfs/dbraw/zinc/95/98/20/1090959820.db2.gz CAPFJGWFKOKWDK-KBXCAEBGSA-N 0 3 324.440 3.017 20 10 DGCDHN Cc1c(CN2CCN(c3ccccn3)CC2)c2ccccc2n1C ZINC001138252273 1091126403 /nfs/dbraw/zinc/12/64/03/1091126403.db2.gz AFAZFCVYPPPQDF-UHFFFAOYSA-N 0 3 320.440 3.204 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC001205238831 1091144119 /nfs/dbraw/zinc/14/41/19/1091144119.db2.gz XNSHZXHWSSXUGD-QZTJIDSGSA-N 0 3 305.418 3.004 20 10 DGCDHN C[C@@H]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1F ZINC001138338227 1091147254 /nfs/dbraw/zinc/14/72/54/1091147254.db2.gz NWBDFGOPHSEVSY-CXAGYDPISA-N 0 3 318.436 3.271 20 10 DGCDHN C[C@]1([NH3+])CCCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001205289392 1091167098 /nfs/dbraw/zinc/16/70/98/1091167098.db2.gz XOMKIRDRVNXIHN-AWEZNQCLSA-N 0 3 302.340 3.114 20 10 DGCDHN C[C@]1(F)CCCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495339 1091206356 /nfs/dbraw/zinc/20/63/56/1091206356.db2.gz HSSLBLXKGJPIFN-SFHVURJKSA-N 0 3 306.425 3.237 20 10 DGCDHN COC(=O)C1(C)CCC([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001168761333 1091224888 /nfs/dbraw/zinc/22/48/88/1091224888.db2.gz AKAHHFLESRRKNY-UHFFFAOYSA-N 0 3 305.418 3.221 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([O-])c1 ZINC001205699810 1091315754 /nfs/dbraw/zinc/31/57/54/1091315754.db2.gz KZXZIJXJODJVQH-HOTGVXAUSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([O-])c1 ZINC001205699810 1091315765 /nfs/dbraw/zinc/31/57/65/1091315765.db2.gz KZXZIJXJODJVQH-HOTGVXAUSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([O-])c1 ZINC001205699809 1091316696 /nfs/dbraw/zinc/31/66/96/1091316696.db2.gz KZXZIJXJODJVQH-CVEARBPZSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([O-])c1 ZINC001205699809 1091316708 /nfs/dbraw/zinc/31/67/08/1091316708.db2.gz KZXZIJXJODJVQH-CVEARBPZSA-N 0 3 319.445 3.348 20 10 DGCDHN N[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CC[C@H]1F ZINC001206201817 1091533190 /nfs/dbraw/zinc/53/31/90/1091533190.db2.gz YZWAOVUGQYUFLD-QZTJIDSGSA-N 0 3 314.404 3.320 20 10 DGCDHN N[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CC[C@H]1F ZINC001206201817 1091533199 /nfs/dbraw/zinc/53/31/99/1091533199.db2.gz YZWAOVUGQYUFLD-QZTJIDSGSA-N 0 3 314.404 3.320 20 10 DGCDHN C[N@H+](Cc1ccc(-c2cnccn2)cc1)Cc1ccccc1[O-] ZINC001139393418 1091544579 /nfs/dbraw/zinc/54/45/79/1091544579.db2.gz QLZUYKKUTRUZQC-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN C[N@@H+](Cc1ccc(-c2cnccn2)cc1)Cc1ccccc1[O-] ZINC001139393418 1091544587 /nfs/dbraw/zinc/54/45/87/1091544587.db2.gz QLZUYKKUTRUZQC-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN C[C@H]1CC[C@@H](C[NH3+])CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001206810558 1091748846 /nfs/dbraw/zinc/74/88/46/1091748846.db2.gz NYFFQMSYQRGLKF-UWVGGRQHSA-N 0 3 303.233 3.258 20 10 DGCDHN Cc1ccccc1O[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055544 1091752281 /nfs/dbraw/zinc/75/22/81/1091752281.db2.gz KENDHXFJIOKOSP-INIZCTEOSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055544 1091752290 /nfs/dbraw/zinc/75/22/90/1091752290.db2.gz KENDHXFJIOKOSP-INIZCTEOSA-N 0 3 301.361 3.493 20 10 DGCDHN COc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055644 1091752358 /nfs/dbraw/zinc/75/23/58/1091752358.db2.gz NWPOXUKQTKHBJI-OAHLLOKOSA-N 0 3 317.360 3.193 20 10 DGCDHN COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055644 1091752363 /nfs/dbraw/zinc/75/23/63/1091752363.db2.gz NWPOXUKQTKHBJI-OAHLLOKOSA-N 0 3 317.360 3.193 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140468367 1091879270 /nfs/dbraw/zinc/87/92/70/1091879270.db2.gz IJFMEMAMYCLAPR-GJZGRUSLSA-N 0 3 312.816 3.054 20 10 DGCDHN Cc1ccc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140742563 1091982488 /nfs/dbraw/zinc/98/24/88/1091982488.db2.gz RZVOOQCGPCWROP-UHFFFAOYSA-N 0 3 312.413 3.037 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@](F)(CO)CC2)c(Cl)c1 ZINC001140922312 1092063676 /nfs/dbraw/zinc/06/36/76/1092063676.db2.gz NSSGFFMPQVPKBL-INIZCTEOSA-N 0 3 314.832 3.093 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC001140922558 1092065173 /nfs/dbraw/zinc/06/51/73/1092065173.db2.gz ULPPDXNRFLAAQB-QGZVFWFLSA-N 0 3 308.853 3.409 20 10 DGCDHN CN(C)c1ccc(CN(C)[C@H]2CCC3(C2)OCCO3)c(Cl)c1 ZINC001140926602 1092067227 /nfs/dbraw/zinc/06/72/27/1092067227.db2.gz PANSSDGKWQOEHU-HNNXBMFYSA-N 0 3 324.852 3.133 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c([O-])c1 ZINC001140948234 1092074923 /nfs/dbraw/zinc/07/49/23/1092074923.db2.gz ZBTKJOHCUJINLA-DOMZBBRYSA-N 0 3 317.351 3.226 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c([O-])c1 ZINC001140948234 1092074934 /nfs/dbraw/zinc/07/49/34/1092074934.db2.gz ZBTKJOHCUJINLA-DOMZBBRYSA-N 0 3 317.351 3.226 20 10 DGCDHN CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950355 1092076834 /nfs/dbraw/zinc/07/68/34/1092076834.db2.gz QZTVDNVXGIJPAA-LJQANCHMSA-N 0 3 316.445 3.068 20 10 DGCDHN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140950355 1092076840 /nfs/dbraw/zinc/07/68/40/1092076840.db2.gz QZTVDNVXGIJPAA-LJQANCHMSA-N 0 3 316.445 3.068 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2OCc3ccccc32)c1[O-] ZINC001207805830 1092105745 /nfs/dbraw/zinc/10/57/45/1092105745.db2.gz KVXWFQKMIHRVTN-INIZCTEOSA-N 0 3 319.788 3.415 20 10 DGCDHN COc1cc(O)c(CN2Cc3ccccc3C[C@@H]2C)c(OC)c1 ZINC001141030661 1092113118 /nfs/dbraw/zinc/11/31/18/1092113118.db2.gz FPQBNSOIMJPOCK-ZDUSSCGKSA-N 0 3 313.397 3.356 20 10 DGCDHN Oc1ccc(O)c(CN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC001141158871 1092156103 /nfs/dbraw/zinc/15/61/03/1092156103.db2.gz PPDJHQYGQXJRSB-UHFFFAOYSA-N 0 3 317.360 3.280 20 10 DGCDHN Oc1cc2c(cc1O)CN(CCc1cccc(F)c1)CCC2 ZINC001208201198 1092261052 /nfs/dbraw/zinc/26/10/52/1092261052.db2.gz DCUGXCDQHZVNIL-UHFFFAOYSA-N 0 3 301.361 3.228 20 10 DGCDHN CN1CC=C(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)CC1 ZINC001208909945 1092580406 /nfs/dbraw/zinc/58/04/06/1092580406.db2.gz KPUFWCYRXURPGV-UHFFFAOYSA-N 0 3 323.396 3.119 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001208999787 1092619463 /nfs/dbraw/zinc/61/94/63/1092619463.db2.gz SIYFIMFCAUKUDL-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001208999787 1092619469 /nfs/dbraw/zinc/61/94/69/1092619469.db2.gz SIYFIMFCAUKUDL-OAHLLOKOSA-N 0 3 320.433 3.224 20 10 DGCDHN CCOC(=O)CCCCCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209349927 1092741256 /nfs/dbraw/zinc/74/12/56/1092741256.db2.gz DRWUWCHPZYTTQN-UHFFFAOYSA-N 0 3 305.418 3.264 20 10 DGCDHN CCOC(=O)CCCCCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001209349927 1092741258 /nfs/dbraw/zinc/74/12/58/1092741258.db2.gz DRWUWCHPZYTTQN-UHFFFAOYSA-N 0 3 305.418 3.264 20 10 DGCDHN CC[N@H+](Cc1cc(F)c(O)c(OC)c1)Cc1ccccc1[O-] ZINC001209529748 1092811115 /nfs/dbraw/zinc/81/11/15/1092811115.db2.gz BYQKIJCKNFQEPM-UHFFFAOYSA-N 0 3 305.349 3.268 20 10 DGCDHN CC[N@@H+](Cc1cc(F)c(O)c(OC)c1)Cc1ccccc1[O-] ZINC001209529748 1092811123 /nfs/dbraw/zinc/81/11/23/1092811123.db2.gz BYQKIJCKNFQEPM-UHFFFAOYSA-N 0 3 305.349 3.268 20 10 DGCDHN CCC/C(C)=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882833 1094323179 /nfs/dbraw/zinc/32/31/79/1094323179.db2.gz VICJRMKBWVZKRP-XXTMNZORSA-N 0 3 317.477 3.218 20 10 DGCDHN CCC/C(C)=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882831 1094323634 /nfs/dbraw/zinc/32/36/34/1094323634.db2.gz VICJRMKBWVZKRP-FDPSAONLSA-N 0 3 317.477 3.218 20 10 DGCDHN Nc1ccc(CN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC001120263948 1094397432 /nfs/dbraw/zinc/39/74/32/1094397432.db2.gz XQQQGRFOGXLBSU-KRWDZBQOSA-N 0 3 310.397 3.377 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171021312 1095143156 /nfs/dbraw/zinc/14/31/56/1095143156.db2.gz AEZNOLUNXYNYCI-CYBMUJFWSA-N 0 3 303.789 3.398 20 10 DGCDHN c1cc(N2CCCC2)ccc1CN1CCCC[C@H]1C1OCCO1 ZINC001116444526 1095556573 /nfs/dbraw/zinc/55/65/73/1095556573.db2.gz XECYEQDNHBPCDP-SFHVURJKSA-N 0 3 316.445 3.014 20 10 DGCDHN C[C@H](CO)N(Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1 ZINC001116445638 1095557265 /nfs/dbraw/zinc/55/72/65/1095557265.db2.gz QEBWZANQGVFAIE-OAHLLOKOSA-N 0 3 316.420 3.275 20 10 DGCDHN Cc1cc(CN2CC(N3CCCC3)C2)c(C)n1-c1ccccc1 ZINC001137857909 1095769512 /nfs/dbraw/zinc/76/95/12/1095769512.db2.gz NZGMVIYCXSZVFU-UHFFFAOYSA-N 0 3 309.457 3.374 20 10 DGCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171517578 1096916074 /nfs/dbraw/zinc/91/60/74/1096916074.db2.gz OWYCNGIDYKJIOK-NSHDSACASA-N 0 3 323.314 3.162 20 10 DGCDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1[O-] ZINC001173231331 1097377373 /nfs/dbraw/zinc/37/73/73/1097377373.db2.gz BFXJVLYAUTVDFE-ZDUSSCGKSA-N 0 3 300.358 3.363 20 10 DGCDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC001173231331 1097377378 /nfs/dbraw/zinc/37/73/78/1097377378.db2.gz BFXJVLYAUTVDFE-ZDUSSCGKSA-N 0 3 300.358 3.363 20 10 DGCDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231590059 1097785831 /nfs/dbraw/zinc/78/58/31/1097785831.db2.gz HDVYOGDJVUSPMU-CQSZACIVSA-N 0 3 313.397 3.321 20 10 DGCDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231590059 1097785837 /nfs/dbraw/zinc/78/58/37/1097785837.db2.gz HDVYOGDJVUSPMU-CQSZACIVSA-N 0 3 313.397 3.321 20 10 DGCDHN O=C1CCC[C@]2(CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)N1 ZINC001231586765 1097786016 /nfs/dbraw/zinc/78/60/16/1097786016.db2.gz GFGXLDQXRLCWIH-HXUWFJFHSA-N 0 3 324.424 3.180 20 10 DGCDHN O=C1CCC[C@]2(CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)N1 ZINC001231586765 1097786021 /nfs/dbraw/zinc/78/60/21/1097786021.db2.gz GFGXLDQXRLCWIH-HXUWFJFHSA-N 0 3 324.424 3.180 20 10 DGCDHN Cc1cccc(CN2CCN(c3cc(Cl)ccn3)CC2)c1O ZINC001231591881 1097787492 /nfs/dbraw/zinc/78/74/92/1097787492.db2.gz BXBDCTPHXIKHPE-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN Cc1cccc(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC001231595092 1097788536 /nfs/dbraw/zinc/78/85/36/1097788536.db2.gz RYMQJVBHTBFWBS-UHFFFAOYSA-N 0 3 320.433 3.047 20 10 DGCDHN COc1cc(CN(C)Cc2cccc(Cl)c2)c(O)cc1O ZINC001231636709 1097796907 /nfs/dbraw/zinc/79/69/07/1097796907.db2.gz UKWCQPDDENIWBY-UHFFFAOYSA-N 0 3 307.777 3.392 20 10 DGCDHN CC(=O)Nc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)c(C)c1 ZINC001232187734 1097961316 /nfs/dbraw/zinc/96/13/16/1097961316.db2.gz SHFYIDVJDQNSKG-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN CC(=O)Nc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)c(C)c1 ZINC001232187734 1097961322 /nfs/dbraw/zinc/96/13/22/1097961322.db2.gz SHFYIDVJDQNSKG-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN CSc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC001175425398 1098042250 /nfs/dbraw/zinc/04/22/50/1098042250.db2.gz AKXYKYZVMWAQJJ-LBPRGKRZSA-N 0 3 316.426 3.403 20 10 DGCDHN COc1ccccc1CN(C)Cc1ccc(N(C)C)cc1O ZINC001232838482 1098149031 /nfs/dbraw/zinc/14/90/31/1098149031.db2.gz GINIOSRRAVOTSY-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2ccc(Cl)nc2)c(O)c1 ZINC001232840193 1098150406 /nfs/dbraw/zinc/15/04/06/1098150406.db2.gz OUKHEBFSWSKOPV-UHFFFAOYSA-N 0 3 305.809 3.139 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001233284294 1098275086 /nfs/dbraw/zinc/27/50/86/1098275086.db2.gz PDKYPBNALVKAHV-OAHLLOKOSA-N 0 3 317.351 3.189 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@@]3(C2)CCCCO3)c1O ZINC001233287809 1098278494 /nfs/dbraw/zinc/27/84/94/1098278494.db2.gz IENBAGGTZCFYGK-MRXNPFEDSA-N 0 3 311.809 3.199 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c1[O-] ZINC001233287809 1098278497 /nfs/dbraw/zinc/27/84/97/1098278497.db2.gz IENBAGGTZCFYGK-MRXNPFEDSA-N 0 3 311.809 3.199 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1[O-] ZINC001233287809 1098278501 /nfs/dbraw/zinc/27/85/01/1098278501.db2.gz IENBAGGTZCFYGK-MRXNPFEDSA-N 0 3 311.809 3.199 20 10 DGCDHN CCN1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454354 1098340606 /nfs/dbraw/zinc/34/06/06/1098340606.db2.gz RJHHDJLOZBLFQN-UHFFFAOYSA-N 0 3 316.367 3.327 20 10 DGCDHN CCN1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454354 1098340612 /nfs/dbraw/zinc/34/06/12/1098340612.db2.gz RJHHDJLOZBLFQN-UHFFFAOYSA-N 0 3 316.367 3.327 20 10 DGCDHN [O-]c1c(C[N@@H+]2CC[C@]3(CCCO3)C2)cccc1OC(F)(F)F ZINC001233736687 1098419956 /nfs/dbraw/zinc/41/99/56/1098419956.db2.gz PROICRGQBHASLQ-CQSZACIVSA-N 0 3 317.307 3.046 20 10 DGCDHN [O-]c1c(C[N@H+]2CC[C@]3(CCCO3)C2)cccc1OC(F)(F)F ZINC001233736687 1098419958 /nfs/dbraw/zinc/41/99/58/1098419958.db2.gz PROICRGQBHASLQ-CQSZACIVSA-N 0 3 317.307 3.046 20 10 DGCDHN CCCO[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233755572 1098423327 /nfs/dbraw/zinc/42/33/27/1098423327.db2.gz WJDUPQNTUGXOQY-GFCCVEGCSA-N 0 3 319.323 3.292 20 10 DGCDHN CCCO[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233755572 1098423329 /nfs/dbraw/zinc/42/33/29/1098423329.db2.gz WJDUPQNTUGXOQY-GFCCVEGCSA-N 0 3 319.323 3.292 20 10 DGCDHN Clc1ccc2ncc(CNCc3ccc4c(c3)CCO4)n2c1 ZINC001177586963 1098559261 /nfs/dbraw/zinc/55/92/61/1098559261.db2.gz QGWGAXUWDFXTRT-UHFFFAOYSA-N 0 3 313.788 3.212 20 10 DGCDHN Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001206307887 1098560753 /nfs/dbraw/zinc/56/07/53/1098560753.db2.gz KOYZGPLBKUCUQV-UHFFFAOYSA-N 0 3 322.449 3.389 20 10 DGCDHN Cc1ccc(C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001206307887 1098560759 /nfs/dbraw/zinc/56/07/59/1098560759.db2.gz KOYZGPLBKUCUQV-UHFFFAOYSA-N 0 3 322.449 3.389 20 10 DGCDHN CC[N@H+](CCCN(C)C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234570378 1098604001 /nfs/dbraw/zinc/60/40/01/1098604001.db2.gz ZALVEHMLFLOHHV-UHFFFAOYSA-N 0 3 316.445 3.328 20 10 DGCDHN CC[N@@H+](CCCN(C)C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234570378 1098604003 /nfs/dbraw/zinc/60/40/03/1098604003.db2.gz ZALVEHMLFLOHHV-UHFFFAOYSA-N 0 3 316.445 3.328 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H]3CCCC[C@H]3F)cc2)CC1 ZINC001234660353 1098637338 /nfs/dbraw/zinc/63/73/38/1098637338.db2.gz HDZGLBODRCTOLP-MSOLQXFVSA-N 0 3 306.425 3.488 20 10 DGCDHN CC(=O)N1CCN(Cc2cccc(-c3ccccc3)c2O)C[C@@H]1C ZINC001234998475 1098740736 /nfs/dbraw/zinc/74/07/36/1098740736.db2.gz KHOXTTWAHKUPLT-HNNXBMFYSA-N 0 3 324.424 3.112 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2CC[C@@H]3[NH2+]CC[C@@H]32)cc1Cl ZINC001235000065 1098743160 /nfs/dbraw/zinc/74/31/60/1098743160.db2.gz ATNGGAKACNRCDB-GJZGRUSLSA-N 0 3 308.853 3.279 20 10 DGCDHN [O-]c1c(CN2CCCCC23C[NH2+]C3)cccc1-c1ccccc1 ZINC001235103782 1098802845 /nfs/dbraw/zinc/80/28/45/1098802845.db2.gz GXNRRMBGTOPCQQ-UHFFFAOYSA-N 0 3 308.425 3.387 20 10 DGCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681860 1099123914 /nfs/dbraw/zinc/12/39/14/1099123914.db2.gz RIAXMEFWGQSCAP-SFHVURJKSA-N 0 3 305.418 3.075 20 10 DGCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681860 1099123916 /nfs/dbraw/zinc/12/39/16/1099123916.db2.gz RIAXMEFWGQSCAP-SFHVURJKSA-N 0 3 305.418 3.075 20 10 DGCDHN CN(Cc1cc(Cl)c(Cl)cc1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215019 1099472897 /nfs/dbraw/zinc/47/28/97/1099472897.db2.gz GZMPWERFYQSJSR-CHWSQXEVSA-N 0 3 303.233 3.401 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1[O-] ZINC001180592998 1099467748 /nfs/dbraw/zinc/46/77/48/1099467748.db2.gz IMXZTKCGMRYTMN-UONOGXRCSA-N 0 3 311.809 3.101 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c([O-])c1 ZINC001180635193 1099480415 /nfs/dbraw/zinc/48/04/15/1099480415.db2.gz WYGXQDZWSGYCQM-IRXDYDNUSA-N 0 3 307.434 3.391 20 10 DGCDHN CCC[N@@H+](Cc1cc(O)c(Br)cc1[O-])CC1CC1 ZINC001236773723 1099777590 /nfs/dbraw/zinc/77/75/90/1099777590.db2.gz SSBHOCLZZSMKSB-UHFFFAOYSA-N 0 3 314.223 3.482 20 10 DGCDHN CCC[N@H+](Cc1cc(O)c(Br)cc1[O-])CC1CC1 ZINC001236773723 1099777596 /nfs/dbraw/zinc/77/75/96/1099777596.db2.gz SSBHOCLZZSMKSB-UHFFFAOYSA-N 0 3 314.223 3.482 20 10 DGCDHN CC(C)[NH+](Cc1cc(O)c(Br)cc1[O-])C(C)C ZINC001236774155 1099778568 /nfs/dbraw/zinc/77/85/68/1099778568.db2.gz XHFORBIIWHKTHE-UHFFFAOYSA-N 0 3 302.212 3.479 20 10 DGCDHN CCOC(=O)CC1CC[NH+](Cc2ccc(CC)cc2[O-])CC1 ZINC001236784849 1099782532 /nfs/dbraw/zinc/78/25/32/1099782532.db2.gz BTOZFZFLOMDQNT-UHFFFAOYSA-N 0 3 305.418 3.120 20 10 DGCDHN CCc1ccc(C[NH+]2CCC(NC(=O)CC(C)C)CC2)c([O-])c1 ZINC001236794400 1099790768 /nfs/dbraw/zinc/79/07/68/1099790768.db2.gz LOIBMOSRNSYEFX-UHFFFAOYSA-N 0 3 318.461 3.081 20 10 DGCDHN COc1cccc(CC[N@H+](C)Cc2c(C)cc(OC)cc2[O-])c1 ZINC001236811579 1099800418 /nfs/dbraw/zinc/80/04/18/1099800418.db2.gz RTLMKLVDDBOARA-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1cccc(CC[N@@H+](C)Cc2c(C)cc(OC)cc2[O-])c1 ZINC001236811579 1099800429 /nfs/dbraw/zinc/80/04/29/1099800429.db2.gz RTLMKLVDDBOARA-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c([O-])c1 ZINC001236817094 1099803043 /nfs/dbraw/zinc/80/30/43/1099803043.db2.gz COCVPFJQBRLPRU-AWEZNQCLSA-N 0 3 303.324 3.278 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c([O-])c1 ZINC001236817094 1099803047 /nfs/dbraw/zinc/80/30/47/1099803047.db2.gz COCVPFJQBRLPRU-AWEZNQCLSA-N 0 3 303.324 3.278 20 10 DGCDHN COc1cc(C)c(CN2CCOC3(CCCCC3)C2)c(O)c1 ZINC001236821025 1099806622 /nfs/dbraw/zinc/80/66/22/1099806622.db2.gz QEZBYNRDVKDWQD-UHFFFAOYSA-N 0 3 305.418 3.244 20 10 DGCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])[C@H]1C ZINC001236830591 1099813981 /nfs/dbraw/zinc/81/39/81/1099813981.db2.gz BSHBTXUTNGWADL-GUYCJALGSA-N 0 3 313.397 3.319 20 10 DGCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])[C@H]1C ZINC001236830591 1099813989 /nfs/dbraw/zinc/81/39/89/1099813989.db2.gz BSHBTXUTNGWADL-GUYCJALGSA-N 0 3 313.397 3.319 20 10 DGCDHN CC(C)(C)c1cccc(CN2CCNC[C@H]2C(F)(F)F)c1O ZINC001236975772 1099899632 /nfs/dbraw/zinc/89/96/32/1099899632.db2.gz KDGDXSJOTLXCSL-ZDUSSCGKSA-N 0 3 316.367 3.026 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237059946 1099952989 /nfs/dbraw/zinc/95/29/89/1099952989.db2.gz QQTJVJYPKXCGOI-GVXVVHGQSA-N 0 3 319.298 3.266 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237059946 1099952974 /nfs/dbraw/zinc/95/29/74/1099952974.db2.gz QQTJVJYPKXCGOI-GVXVVHGQSA-N 0 3 319.298 3.266 20 10 DGCDHN CN(Cc1c(O)cccc1OC(F)(F)F)C[C@@H]1CCCCO1 ZINC001237122907 1099981744 /nfs/dbraw/zinc/98/17/44/1099981744.db2.gz MBOQLZLDVWPZMH-NSHDSACASA-N 0 3 319.323 3.292 20 10 DGCDHN C[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C[C@@H]1CCCCO1 ZINC001237122907 1099981755 /nfs/dbraw/zinc/98/17/55/1099981755.db2.gz MBOQLZLDVWPZMH-NSHDSACASA-N 0 3 319.323 3.292 20 10 DGCDHN C[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C[C@@H]1CCCCO1 ZINC001237122907 1099981763 /nfs/dbraw/zinc/98/17/63/1099981763.db2.gz MBOQLZLDVWPZMH-NSHDSACASA-N 0 3 319.323 3.292 20 10 DGCDHN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138186 1099989573 /nfs/dbraw/zinc/98/95/73/1099989573.db2.gz VPUPURRYETYKQC-GHMZBOCLSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138186 1099989581 /nfs/dbraw/zinc/98/95/81/1099989581.db2.gz VPUPURRYETYKQC-GHMZBOCLSA-N 0 3 303.324 3.004 20 10 DGCDHN O=C1CCC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]12 ZINC001237143800 1099992182 /nfs/dbraw/zinc/99/21/82/1099992182.db2.gz OLOLQTGYJDPRRJ-GXFFZTMASA-N 0 3 313.319 3.212 20 10 DGCDHN O=C1CCC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]12 ZINC001237143800 1099992192 /nfs/dbraw/zinc/99/21/92/1099992192.db2.gz OLOLQTGYJDPRRJ-GXFFZTMASA-N 0 3 313.319 3.212 20 10 DGCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237485363 1100139669 /nfs/dbraw/zinc/13/96/69/1100139669.db2.gz HRYCTIWYYLSGOU-QFBILLFUSA-N 0 3 319.445 3.108 20 10 DGCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237485363 1100139675 /nfs/dbraw/zinc/13/96/75/1100139675.db2.gz HRYCTIWYYLSGOU-QFBILLFUSA-N 0 3 319.445 3.108 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCC[C@H](CO)C1 ZINC001237641738 1100199144 /nfs/dbraw/zinc/19/91/44/1100199144.db2.gz WPXSMINFZGXKIR-AWEZNQCLSA-N 0 3 315.388 3.403 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC001237641738 1100199150 /nfs/dbraw/zinc/19/91/50/1100199150.db2.gz WPXSMINFZGXKIR-AWEZNQCLSA-N 0 3 315.388 3.403 20 10 DGCDHN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237641280 1100200045 /nfs/dbraw/zinc/20/00/45/1100200045.db2.gz QSMLXILYOQEHSD-SJKOYZFVSA-N 0 3 301.361 3.153 20 10 DGCDHN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237641280 1100200047 /nfs/dbraw/zinc/20/00/47/1100200047.db2.gz QSMLXILYOQEHSD-SJKOYZFVSA-N 0 3 301.361 3.153 20 10 DGCDHN COC[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237675900 1100209887 /nfs/dbraw/zinc/20/98/87/1100209887.db2.gz CYGUUYXLCYQSCR-LBPRGKRZSA-N 0 3 314.223 3.074 20 10 DGCDHN COC[C@@H]1CCC[N@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237675900 1100209891 /nfs/dbraw/zinc/20/98/91/1100209891.db2.gz CYGUUYXLCYQSCR-LBPRGKRZSA-N 0 3 314.223 3.074 20 10 DGCDHN COc1cc(CN2CCC(F)(F)C(C)(C)C2)c(O)c(OC)c1 ZINC001237669295 1100210219 /nfs/dbraw/zinc/21/02/19/1100210219.db2.gz LNSRNCYYLYVKNH-UHFFFAOYSA-N 0 3 315.360 3.277 20 10 DGCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)cc(C)c1[O-])C2 ZINC001237686303 1100213901 /nfs/dbraw/zinc/21/39/01/1100213901.db2.gz KEHKGOPGQLJZHD-ZOWXZIJZSA-N 0 3 323.820 3.128 20 10 DGCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C2 ZINC001237686303 1100213905 /nfs/dbraw/zinc/21/39/05/1100213905.db2.gz KEHKGOPGQLJZHD-ZOWXZIJZSA-N 0 3 323.820 3.128 20 10 DGCDHN Cc1cc(F)cc(CN2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC001238059053 1100345823 /nfs/dbraw/zinc/34/58/23/1100345823.db2.gz ZIJKVKSNQAOAKL-GOSISDBHSA-N 0 3 314.404 3.328 20 10 DGCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1[O-] ZINC001238063504 1100347338 /nfs/dbraw/zinc/34/73/38/1100347338.db2.gz XNNLOSKTBOAWBC-KRWDZBQOSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1[O-] ZINC001238063504 1100347343 /nfs/dbraw/zinc/34/73/43/1100347343.db2.gz XNNLOSKTBOAWBC-KRWDZBQOSA-N 0 3 301.361 3.493 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3NC[C@H]4C[C@H]43)n2)cc1 ZINC001248300696 1105091946 /nfs/dbraw/zinc/09/19/46/1105091946.db2.gz GLEUTVQTNMQEFG-DJIMGWMZSA-N 0 3 320.396 3.425 20 10 DGCDHN C[C@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@H]1O ZINC001249223838 1105249875 /nfs/dbraw/zinc/24/98/75/1105249875.db2.gz OLSZXCCUACEHGO-XJKSGUPXSA-N 0 3 317.429 3.169 20 10 DGCDHN C[C@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@H]1O ZINC001249223838 1105249880 /nfs/dbraw/zinc/24/98/80/1105249880.db2.gz OLSZXCCUACEHGO-XJKSGUPXSA-N 0 3 317.429 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)ccc2O1 ZINC001249252006 1105256751 /nfs/dbraw/zinc/25/67/51/1105256751.db2.gz DXLIHRADUUAUKC-CJNGLKHVSA-N 0 3 315.413 3.187 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)ccc2O1 ZINC001249252006 1105256753 /nfs/dbraw/zinc/25/67/53/1105256753.db2.gz DXLIHRADUUAUKC-CJNGLKHVSA-N 0 3 315.413 3.187 20 10 DGCDHN C[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)[C@H]1CCCOC1 ZINC001249258485 1105258492 /nfs/dbraw/zinc/25/84/92/1105258492.db2.gz IPFJMJVEIPJURP-AWEZNQCLSA-N 0 3 303.402 3.187 20 10 DGCDHN C[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)[C@H]1CCCOC1 ZINC001249258485 1105258493 /nfs/dbraw/zinc/25/84/93/1105258493.db2.gz IPFJMJVEIPJURP-AWEZNQCLSA-N 0 3 303.402 3.187 20 10 DGCDHN Cc1c(F)cccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249338809 1105270325 /nfs/dbraw/zinc/27/03/25/1105270325.db2.gz DDWCDDLHMVSLGD-CQSZACIVSA-N 0 3 313.332 3.132 20 10 DGCDHN [NH3+][C@H](Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1[O-] ZINC001249338779 1105270628 /nfs/dbraw/zinc/27/06/28/1105270628.db2.gz BNKOBRJKDDBUMZ-CYBMUJFWSA-N 0 3 315.760 3.338 20 10 DGCDHN [NH3+][C@H](Cc1nc(-c2cccc3ccoc32)no1)c1ccccc1[O-] ZINC001249340050 1105271395 /nfs/dbraw/zinc/27/13/95/1105271395.db2.gz SHGHMKCOGFBGJM-CQSZACIVSA-N 0 3 321.336 3.431 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@H+](C)[C@@H](C)CC)c([O-])c1 ZINC001249731029 1105368387 /nfs/dbraw/zinc/36/83/87/1105368387.db2.gz PCNGYWRGSKIKHV-AWEZNQCLSA-N 0 3 323.433 3.345 20 10 DGCDHN CCOC(=O)CCCOc1ccc(C[N@@H+](C)[C@@H](C)CC)c([O-])c1 ZINC001249731029 1105368393 /nfs/dbraw/zinc/36/83/93/1105368393.db2.gz PCNGYWRGSKIKHV-AWEZNQCLSA-N 0 3 323.433 3.345 20 10 DGCDHN COC1CCN(Cc2cc(C)c(Br)cc2O)CC1 ZINC001250120976 1105446154 /nfs/dbraw/zinc/44/61/54/1105446154.db2.gz WYPFBIVNWJZZFX-UHFFFAOYSA-N 0 3 314.223 3.074 20 10 DGCDHN CCN1CCN(c2ccc(-c3nc4ccccc4n3C)cc2)CC1 ZINC001250862005 1105596213 /nfs/dbraw/zinc/59/62/13/1105596213.db2.gz XZHWCZAEKANAFW-UHFFFAOYSA-N 0 3 320.440 3.382 20 10 DGCDHN COc1ccc(N2CCN([C@@H](C)Cc3ccco3)CC2)cc1 ZINC001258184493 1106690678 /nfs/dbraw/zinc/69/06/78/1106690678.db2.gz CRMVYCKFISRSJP-HNNXBMFYSA-N 0 3 300.402 3.041 20 10 DGCDHN COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001258390075 1106726793 /nfs/dbraw/zinc/72/67/93/1106726793.db2.gz GZGFAIVCNBIUPN-CYBMUJFWSA-N 0 3 301.386 3.217 20 10 DGCDHN CC1CCN(CCC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001308184296 1111392753 /nfs/dbraw/zinc/39/27/53/1111392753.db2.gz DVMOXUMKYBQUOQ-UHFFFAOYSA-N 0 3 314.832 3.396 20 10 DGCDHN CCc1ccc([C@H](O)C[NH2+]Cc2c(C)cc(OC)cc2[O-])cc1 ZINC001308755496 1111471276 /nfs/dbraw/zinc/47/12/76/1111471276.db2.gz HBFVXDHIXPUKIA-LJQANCHMSA-N 0 3 315.413 3.095 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000179433405 432058134 /nfs/dbraw/zinc/05/81/34/432058134.db2.gz IXEIWZVULBBZQG-NSHDSACASA-N 0 3 319.323 3.184 20 10 DGCDHN CCN(CC)Cc1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000236928626 202077355 /nfs/dbraw/zinc/07/73/55/202077355.db2.gz RIOVBCAHOLWTBI-UHFFFAOYSA-N 0 3 311.429 3.292 20 10 DGCDHN CCOCc1ccccc1CNCc1cccc(OC)c1O ZINC000236990478 202110730 /nfs/dbraw/zinc/11/07/30/202110730.db2.gz ZPFVIPBIMUXYPF-UHFFFAOYSA-N 0 3 301.386 3.227 20 10 DGCDHN CCOCc1ccccc1C[NH2+]Cc1cccc(OC)c1[O-] ZINC000236990478 202110736 /nfs/dbraw/zinc/11/07/36/202110736.db2.gz ZPFVIPBIMUXYPF-UHFFFAOYSA-N 0 3 301.386 3.227 20 10 DGCDHN CC[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000166606404 432062380 /nfs/dbraw/zinc/06/23/80/432062380.db2.gz DCUIXZLUPVLNKX-SLFFLAALSA-N 0 3 310.441 3.452 20 10 DGCDHN COc1ccc([O-])c(C[NH+]2CCC(OCCC(C)C)CC2)c1 ZINC000179783141 432070342 /nfs/dbraw/zinc/07/03/42/432070342.db2.gz HIQPFVBONAQUJH-UHFFFAOYSA-N 0 3 307.434 3.428 20 10 DGCDHN COC(=O)c1oc([C@H](C)N(C)Cc2ccccc2O)cc1C ZINC000091619335 193079432 /nfs/dbraw/zinc/07/94/32/193079432.db2.gz MPAUFGJRZFIUCB-LBPRGKRZSA-N 0 3 303.358 3.273 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611680 193273748 /nfs/dbraw/zinc/27/37/48/193273748.db2.gz XDJZKMZLQSNQFT-OAHLLOKOSA-N 0 3 311.303 3.045 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611680 193273750 /nfs/dbraw/zinc/27/37/50/193273750.db2.gz XDJZKMZLQSNQFT-OAHLLOKOSA-N 0 3 311.303 3.045 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000014966718 181978368 /nfs/dbraw/zinc/97/83/68/181978368.db2.gz SSTXMWYCLCWGFL-HNNXBMFYSA-N 0 3 311.303 3.234 20 10 DGCDHN COc1cccc(C[NH2+]CCCN(C)c2ccccc2)c1[O-] ZINC000020826789 182247753 /nfs/dbraw/zinc/24/77/53/182247753.db2.gz MHYPXPDTLUNSPO-UHFFFAOYSA-N 0 3 300.402 3.017 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000105448196 194104295 /nfs/dbraw/zinc/10/42/95/194104295.db2.gz JMCONYBQSHLWTG-UHFFFAOYSA-N 0 3 316.357 3.031 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCn2cnc3ccccc32)c1 ZINC000273396615 130115491 /nfs/dbraw/zinc/11/54/91/130115491.db2.gz MBWJYPXMAIDUQZ-CYBMUJFWSA-N 0 3 311.385 3.101 20 10 DGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCOC1 ZINC000273497480 130129529 /nfs/dbraw/zinc/12/95/29/130129529.db2.gz NLMRQQYYZOCXSZ-QGZVFWFLSA-N 0 3 313.397 3.192 20 10 DGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCOC1 ZINC000273497480 130129531 /nfs/dbraw/zinc/12/95/31/130129531.db2.gz NLMRQQYYZOCXSZ-QGZVFWFLSA-N 0 3 313.397 3.192 20 10 DGCDHN C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc2c(cc1[O-])CCCC2 ZINC000273530767 130134242 /nfs/dbraw/zinc/13/42/42/130134242.db2.gz WECUMMXSFVSHDG-ZUZCIYMTSA-N 0 3 317.351 3.235 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c([O-])c1C ZINC000273621549 130145608 /nfs/dbraw/zinc/14/56/08/130145608.db2.gz ZFKHCPDBBUVTBI-HNNXBMFYSA-N 0 3 322.412 3.441 20 10 DGCDHN COc1cc(Cl)cc(C[NH+]2CCC(CCCO)CC2)c1[O-] ZINC000273718838 130157419 /nfs/dbraw/zinc/15/74/19/130157419.db2.gz HVQXTUQARUBJBM-UHFFFAOYSA-N 0 3 313.825 3.039 20 10 DGCDHN COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000284241346 131062260 /nfs/dbraw/zinc/06/22/60/131062260.db2.gz FCOVWOLSLLVQHB-KBXCAEBGSA-N 0 3 314.429 3.354 20 10 DGCDHN COc1ccc([C@@H](CN(C)C)NCc2cccc(C)c2O)cc1 ZINC000285112289 131139399 /nfs/dbraw/zinc/13/93/99/131139399.db2.gz NMMNAZPASUZRTR-GOSISDBHSA-N 0 3 314.429 3.102 20 10 DGCDHN CCOC1CC(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000285519788 131176710 /nfs/dbraw/zinc/17/67/10/131176710.db2.gz GIYZHSVJNZEUNJ-NXYGQSRBSA-N 0 3 319.445 3.188 20 10 DGCDHN CCOC1CC(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000285519788 131176712 /nfs/dbraw/zinc/17/67/12/131176712.db2.gz GIYZHSVJNZEUNJ-NXYGQSRBSA-N 0 3 319.445 3.188 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1[O-] ZINC000288432198 131325248 /nfs/dbraw/zinc/32/52/48/131325248.db2.gz BROYTQPRAUTNDQ-CXAGYDPISA-N 0 3 301.386 3.003 20 10 DGCDHN COc1cccc(CN[C@@H](CCO)c2ccc(Cl)cc2)c1O ZINC000288481053 131327504 /nfs/dbraw/zinc/32/75/04/131327504.db2.gz PVMYIDQXRKTEER-HNNXBMFYSA-N 0 3 321.804 3.268 20 10 DGCDHN Cc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000289105688 131358975 /nfs/dbraw/zinc/35/89/75/131358975.db2.gz CLLUKANNWOWGTG-UHFFFAOYSA-N 0 3 300.358 3.283 20 10 DGCDHN Cc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000289105688 131358976 /nfs/dbraw/zinc/35/89/76/131358976.db2.gz CLLUKANNWOWGTG-UHFFFAOYSA-N 0 3 300.358 3.283 20 10 DGCDHN O=C(NC1CC1)c1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297734134 132031397 /nfs/dbraw/zinc/03/13/97/132031397.db2.gz NRMJZFSGZHUQSM-KRWDZBQOSA-N 0 3 322.408 3.062 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(OCC3CC3)nc1)CC2 ZINC000297958186 132042102 /nfs/dbraw/zinc/04/21/02/132042102.db2.gz ZDNPQASEVGXUJH-MRXNPFEDSA-N 0 3 310.397 3.353 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCn2cc(Br)cn2)c([O-])c1 ZINC000382464425 685164650 /nfs/dbraw/zinc/16/46/50/685164650.db2.gz ZHSILMWKCUSJAN-LLVKDONJSA-N 0 3 324.222 3.010 20 10 DGCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccc(CO)c1 ZINC000270428934 432245395 /nfs/dbraw/zinc/24/53/95/432245395.db2.gz HOBHQCMVAYJKGA-OAHLLOKOSA-N 0 3 310.441 3.412 20 10 DGCDHN CN(C)c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1F ZINC000297933932 276883655 /nfs/dbraw/zinc/88/36/55/276883655.db2.gz XURNRVOWNALXOS-OAHLLOKOSA-N 0 3 300.377 3.374 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1[O-] ZINC000364345482 288066968 /nfs/dbraw/zinc/06/69/68/288066968.db2.gz DCXLYIHURGBLGO-RCCFBDPRSA-N 0 3 318.461 3.076 20 10 DGCDHN Cc1ncc(/C=C/C(=O)N(CCN(C)C)c2ccccc2)s1 ZINC000112241043 431258334 /nfs/dbraw/zinc/25/83/34/431258334.db2.gz MSFDLGKZMZRIHR-MDZDMXLPSA-N 0 3 315.442 3.060 20 10 DGCDHN Cc1ccc([C@@H](O)CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000113326191 431342745 /nfs/dbraw/zinc/34/27/45/431342745.db2.gz ICCJATXAFWVVCK-SFHVURJKSA-N 0 3 302.393 3.023 20 10 DGCDHN CCCOc1ccc(CN2CC[C@H](C[N@H+](C)CCC)C2)c([O-])c1 ZINC000093742340 431917677 /nfs/dbraw/zinc/91/76/77/431917677.db2.gz BQSPBLJIZBMYDX-MRXNPFEDSA-N 0 3 320.477 3.345 20 10 DGCDHN CCCOc1ccc(CN2CC[C@H](C[N@@H+](C)CCC)C2)c([O-])c1 ZINC000093742340 431917679 /nfs/dbraw/zinc/91/76/79/431917679.db2.gz BQSPBLJIZBMYDX-MRXNPFEDSA-N 0 3 320.477 3.345 20 10 DGCDHN CCOc1cccc(CN(C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000093863963 431918123 /nfs/dbraw/zinc/91/81/23/431918123.db2.gz YONDUBUVRRJRLI-OAHLLOKOSA-N 0 3 315.417 3.034 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1[O-] ZINC000270676038 432275736 /nfs/dbraw/zinc/27/57/36/432275736.db2.gz RNSJCRSJBMWSEW-ZBFHGGJFSA-N 0 3 307.434 3.474 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1[O-] ZINC000270676037 432275967 /nfs/dbraw/zinc/27/59/67/432275967.db2.gz RNSJCRSJBMWSEW-HOCLYGCPSA-N 0 3 307.434 3.474 20 10 DGCDHN CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccccc1[O-] ZINC000183330155 432282991 /nfs/dbraw/zinc/28/29/91/432282991.db2.gz COZBTXDJQYXLFH-QGZVFWFLSA-N 0 3 312.413 3.092 20 10 DGCDHN CCOC(=O)N[C@H](C[NH2+][C@H](C)c1ccccc1[O-])CC(C)C ZINC000183401350 432289586 /nfs/dbraw/zinc/28/95/86/432289586.db2.gz FXDTXTDKCHUVSC-KGLIPLIRSA-N 0 3 308.422 3.204 20 10 DGCDHN Cc1nccn1CCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000270841281 432295585 /nfs/dbraw/zinc/29/55/85/432295585.db2.gz NTQXPGONRZOILW-UHFFFAOYSA-N 0 3 312.461 3.314 20 10 DGCDHN COc1c(C)cnc(CN(C)Cc2cc(C)ccc2O)c1C ZINC000183783416 432325637 /nfs/dbraw/zinc/32/56/37/432325637.db2.gz CDFPGCDKRIKEMW-UHFFFAOYSA-N 0 3 300.402 3.353 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c([O-])c1 ZINC000271210117 432355491 /nfs/dbraw/zinc/35/54/91/432355491.db2.gz UEOLBHNXZRYZMN-LPHOPBHVSA-N 0 3 319.445 3.308 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c([O-])c1 ZINC000271210117 432355496 /nfs/dbraw/zinc/35/54/96/432355496.db2.gz UEOLBHNXZRYZMN-LPHOPBHVSA-N 0 3 319.445 3.308 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@](C)(O)c2ccco2)cc1 ZINC000174529917 432354031 /nfs/dbraw/zinc/35/40/31/432354031.db2.gz DTTOPBWGCBYTGM-SFHVURJKSA-N 0 3 302.418 3.123 20 10 DGCDHN C[C@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1ccccc1[O-] ZINC000183601404 432307714 /nfs/dbraw/zinc/30/77/14/432307714.db2.gz YBNFWXJWNHVIRD-HNNXBMFYSA-N 0 3 324.424 3.412 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NC[C@@](C)(O)C(F)(F)F)cc1 ZINC000271491092 432407423 /nfs/dbraw/zinc/40/74/23/432407423.db2.gz KUBCALNAESEEDC-SMDDNHRTSA-N 0 3 304.356 3.107 20 10 DGCDHN CN(Cc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000153303314 432399109 /nfs/dbraw/zinc/39/91/09/432399109.db2.gz HZWZZIRMEZLXPK-UHFFFAOYSA-N 0 3 302.443 3.217 20 10 DGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000184255028 432370966 /nfs/dbraw/zinc/37/09/66/432370966.db2.gz MWIQWPKGCUKUIW-UHFFFAOYSA-N 0 3 309.413 3.081 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000192940849 432433019 /nfs/dbraw/zinc/43/30/19/432433019.db2.gz FSJUNPIHUIHQTM-IUODEOHRSA-N 0 3 320.458 3.416 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000184997701 432453471 /nfs/dbraw/zinc/45/34/71/432453471.db2.gz VMYULVXJILNGIL-HUUCEWRRSA-N 0 3 314.473 3.406 20 10 DGCDHN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185027856 432456946 /nfs/dbraw/zinc/45/69/46/432456946.db2.gz ORYZHWCYFMBVEM-LBPRGKRZSA-N 0 3 316.376 3.132 20 10 DGCDHN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000271539102 432418192 /nfs/dbraw/zinc/41/81/92/432418192.db2.gz PFHBEBZOBYJCCA-ACJLOTCBSA-N 0 3 301.386 3.267 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1[O-] ZINC000271713673 432422676 /nfs/dbraw/zinc/42/26/76/432422676.db2.gz OTTVJHXODNGPFM-WMLDXEAASA-N 0 3 319.376 3.012 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c([O-])c1 ZINC000271805893 432425236 /nfs/dbraw/zinc/42/52/36/432425236.db2.gz JWGZKRFTACSRRF-HNNXBMFYSA-N 0 3 321.461 3.459 20 10 DGCDHN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185155161 432471896 /nfs/dbraw/zinc/47/18/96/432471896.db2.gz OHRKERBNBXGFNW-KBPBESRZSA-N 0 3 318.461 3.226 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000185291156 432487640 /nfs/dbraw/zinc/48/76/40/432487640.db2.gz WQEDZWUUXABZNS-LBPRGKRZSA-N 0 3 316.367 3.378 20 10 DGCDHN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000185418908 432499426 /nfs/dbraw/zinc/49/94/26/432499426.db2.gz BQQCPPQKMLJQLE-SCLBCKFNSA-N 0 3 301.386 3.093 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c([O-])c1 ZINC000185079405 432463377 /nfs/dbraw/zinc/46/33/77/432463377.db2.gz FLFIJIMGXOXSLS-HNNXBMFYSA-N 0 3 312.413 3.010 20 10 DGCDHN COCCOCCN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000154011628 432465374 /nfs/dbraw/zinc/46/53/74/432465374.db2.gz WSDCERBCWFBMGI-QGZVFWFLSA-N 0 3 320.477 3.381 20 10 DGCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185129833 432469949 /nfs/dbraw/zinc/46/99/49/432469949.db2.gz VXDPZPWAFMSLNX-CVEARBPZSA-N 0 3 315.413 3.100 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1[O-] ZINC000186097522 432557391 /nfs/dbraw/zinc/55/73/91/432557391.db2.gz JIZSCQXDBJOFEL-SFHVURJKSA-N 0 3 322.412 3.273 20 10 DGCDHN CC[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccccc1[O-] ZINC000155504103 432557698 /nfs/dbraw/zinc/55/76/98/432557698.db2.gz FCHFCVQNFZRVNF-MRXNPFEDSA-N 0 3 304.434 3.226 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOc2ncccc2Cl)c1 ZINC000186107091 432559222 /nfs/dbraw/zinc/55/92/22/432559222.db2.gz IMGYEBZSFDMZRM-LLVKDONJSA-N 0 3 322.792 3.179 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c([O-])c1 ZINC000185813067 432534637 /nfs/dbraw/zinc/53/46/37/432534637.db2.gz PCDJLYRPXNXEBR-PBHICJAKSA-N 0 3 310.397 3.157 20 10 DGCDHN CC[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccccc1[O-] ZINC000155246462 432545766 /nfs/dbraw/zinc/54/57/66/432545766.db2.gz UDRXEWFWOYHMRW-INIZCTEOSA-N 0 3 304.434 3.272 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000186618556 432615322 /nfs/dbraw/zinc/61/53/22/432615322.db2.gz QODBDPBSGBQXJJ-ZDUSSCGKSA-N 0 3 315.413 3.479 20 10 DGCDHN CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186177207 432566815 /nfs/dbraw/zinc/56/68/15/432566815.db2.gz WCOIGHHODUIPQX-NSHDSACASA-N 0 3 305.397 3.240 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1 ZINC000186230502 432570593 /nfs/dbraw/zinc/57/05/93/432570593.db2.gz XEXBUMUVUQKTHV-DZGCQCFKSA-N 0 3 321.417 3.127 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000186456392 432596964 /nfs/dbraw/zinc/59/69/64/432596964.db2.gz UQKUQMBIUXFFSH-LIRRHRJNSA-N 0 3 314.429 3.182 20 10 DGCDHN COCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000186912482 432636508 /nfs/dbraw/zinc/63/65/08/432636508.db2.gz YAWWLVFRKQCKPI-SNVBAGLBSA-N 0 3 302.212 3.150 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCOCC2)c1[O-] ZINC000187031157 432643704 /nfs/dbraw/zinc/64/37/04/432643704.db2.gz QJUDMCUNIIQXIR-SNVBAGLBSA-N 0 3 314.223 3.293 20 10 DGCDHN COc1cc([O-])c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)cc1OC ZINC000274325329 432651850 /nfs/dbraw/zinc/65/18/50/432651850.db2.gz DQZOZBWFXOQXLW-IRXDYDNUSA-N 0 3 323.433 3.091 20 10 DGCDHN CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000219216766 432661853 /nfs/dbraw/zinc/66/18/53/432661853.db2.gz ITUDBURAHQPECU-UHFFFAOYSA-N 0 3 320.433 3.318 20 10 DGCDHN CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000227444797 432711251 /nfs/dbraw/zinc/71/12/51/432711251.db2.gz ZLSNWUXERQZLIN-AWEZNQCLSA-N 0 3 320.433 3.129 20 10 DGCDHN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000277223584 432831249 /nfs/dbraw/zinc/83/12/49/432831249.db2.gz LMUYZDXPLXFUND-SDDRHHMPSA-N 0 3 318.421 3.444 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc([S@@](C)=O)cc1 ZINC000296687921 432925053 /nfs/dbraw/zinc/92/50/53/432925053.db2.gz HABPPUIKYWXPSW-KFVPTDEHSA-N 0 3 315.438 3.468 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c([O-])c1 ZINC000278562957 432897243 /nfs/dbraw/zinc/89/72/43/432897243.db2.gz WVBLIIAELOTYKH-JTQLQIEISA-N 0 3 309.303 3.268 20 10 DGCDHN C[C@]1(CNCc2ccc3c(c2)CCO3)OCCc2sccc21 ZINC000289781549 432974404 /nfs/dbraw/zinc/97/44/04/432974404.db2.gz KLTWPWZAXARQKM-GOSISDBHSA-N 0 3 315.438 3.261 20 10 DGCDHN COc1ccc(O)c(CN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000290114883 432994833 /nfs/dbraw/zinc/99/48/33/432994833.db2.gz ILNKAEPUCPBFNX-INIZCTEOSA-N 0 3 321.804 3.268 20 10 DGCDHN COc1cc([O-])c(C[NH2+]CC2(OC)CCC(C)CC2)cc1OC ZINC000279866924 432998223 /nfs/dbraw/zinc/99/82/23/432998223.db2.gz SZEZVDXGOQQYJM-UHFFFAOYSA-N 0 3 323.433 3.094 20 10 DGCDHN CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000280233408 433020659 /nfs/dbraw/zinc/02/06/59/433020659.db2.gz VKSXAKOCNDAMPZ-FUHWJXTLSA-N 0 3 320.477 3.242 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccc(C)cc1[O-] ZINC000280258184 433024241 /nfs/dbraw/zinc/02/42/41/433024241.db2.gz XASFRAAAKFZJOR-INIZCTEOSA-N 0 3 313.401 3.295 20 10 DGCDHN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297867027 433025980 /nfs/dbraw/zinc/02/59/80/433025980.db2.gz ULOIXQVABVBJRO-MBIULKOWSA-N 0 3 307.459 3.049 20 10 DGCDHN COc1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)c(OC)n1 ZINC000290275065 433026294 /nfs/dbraw/zinc/02/62/94/433026294.db2.gz WOGQLSPHPMLFPJ-CYBMUJFWSA-N 0 3 316.401 3.272 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H](O)c1ccc(F)cc1 ZINC000297909329 433031194 /nfs/dbraw/zinc/03/11/94/433031194.db2.gz WPBWQKXIZKDYIH-POHZPAGDSA-N 0 3 301.361 3.230 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c([O-])c1C ZINC000290490633 433065713 /nfs/dbraw/zinc/06/57/13/433065713.db2.gz XTTPYHWLMVXZOC-CRFBAAHOSA-N 0 3 313.397 3.154 20 10 DGCDHN CCOc1ccc(O)c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000290826777 433182255 /nfs/dbraw/zinc/18/22/55/433182255.db2.gz HERMFQUSRCMAAU-ZWKOTPCHSA-N 0 3 317.429 3.324 20 10 DGCDHN C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000280874135 433206773 /nfs/dbraw/zinc/20/67/73/433206773.db2.gz AKRGKDLLYNGSLY-WHEQGISXSA-N 0 3 321.486 3.223 20 10 DGCDHN CCCC[N@H+](Cc1c[nH]c2nccnc12)Cc1ccccc1[O-] ZINC000291467640 433245190 /nfs/dbraw/zinc/24/51/90/433245190.db2.gz DOBJDWZULYCGBV-UHFFFAOYSA-N 0 3 310.401 3.466 20 10 DGCDHN CCCC[N@@H+](Cc1c[nH]c2nccnc12)Cc1ccccc1[O-] ZINC000291467640 433245198 /nfs/dbraw/zinc/24/51/98/433245198.db2.gz DOBJDWZULYCGBV-UHFFFAOYSA-N 0 3 310.401 3.466 20 10 DGCDHN Cc1cccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000281133938 433265867 /nfs/dbraw/zinc/26/58/67/433265867.db2.gz NSALAJOHZOBCNA-KRWDZBQOSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1cccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000281133938 433265875 /nfs/dbraw/zinc/26/58/75/433265875.db2.gz NSALAJOHZOBCNA-KRWDZBQOSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000291717042 433325517 /nfs/dbraw/zinc/32/55/17/433325517.db2.gz MDDDJBDNKJKCMO-HNNXBMFYSA-N 0 3 300.377 3.208 20 10 DGCDHN CCOc1cccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000375121016 433368117 /nfs/dbraw/zinc/36/81/17/433368117.db2.gz NBRBFIZCCMVNRR-ROUUACIJSA-N 0 3 305.418 3.086 20 10 DGCDHN C[S@](=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000282188352 433525594 /nfs/dbraw/zinc/52/55/94/433525594.db2.gz BUNVIJJERHBYGF-QFIPXVFZSA-N 0 3 315.438 3.060 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC(F)(F)F ZINC000282346010 433574254 /nfs/dbraw/zinc/57/42/54/433574254.db2.gz CFKZVYNOWPCJRK-CYBMUJFWSA-N 0 3 305.340 3.308 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC(F)(F)F ZINC000282346010 433574263 /nfs/dbraw/zinc/57/42/63/433574263.db2.gz CFKZVYNOWPCJRK-CYBMUJFWSA-N 0 3 305.340 3.308 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1OCCc2sccc21 ZINC000292695944 433588041 /nfs/dbraw/zinc/58/80/41/433588041.db2.gz BTVQPWWLCWKPCQ-MGPLVRAMSA-N 0 3 307.390 3.385 20 10 DGCDHN CCN(CC)c1ccc(CNCCc2nccnc2C)cc1F ZINC000293185624 433644939 /nfs/dbraw/zinc/64/49/39/433644939.db2.gz WWMANKZAGUKJCH-UHFFFAOYSA-N 0 3 316.424 3.103 20 10 DGCDHN CCCC[N@H+](Cc1cnn(CCOC)c1)Cc1ccccc1[O-] ZINC000283066135 433657907 /nfs/dbraw/zinc/65/79/07/433657907.db2.gz PXLXWZZYRIJDPB-UHFFFAOYSA-N 0 3 317.433 3.037 20 10 DGCDHN CCCC[N@@H+](Cc1cnn(CCOC)c1)Cc1ccccc1[O-] ZINC000283066135 433657917 /nfs/dbraw/zinc/65/79/17/433657917.db2.gz PXLXWZZYRIJDPB-UHFFFAOYSA-N 0 3 317.433 3.037 20 10 DGCDHN CN(Cc1ccccc1O)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000377058312 433847374 /nfs/dbraw/zinc/84/73/74/433847374.db2.gz WABITVSAVDXUHU-QGZVFWFLSA-N 0 3 316.445 3.148 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(C)cc1[O-] ZINC000377580359 433918851 /nfs/dbraw/zinc/91/88/51/433918851.db2.gz BPLNGMKORGTFRJ-FRQCXROJSA-N 0 3 313.397 3.236 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000294147409 434014118 /nfs/dbraw/zinc/01/41/18/434014118.db2.gz VFFPZHXLXJMTDE-GOSISDBHSA-N 0 3 307.434 3.021 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000294147409 434014126 /nfs/dbraw/zinc/01/41/26/434014126.db2.gz VFFPZHXLXJMTDE-GOSISDBHSA-N 0 3 307.434 3.021 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377836164 434015163 /nfs/dbraw/zinc/01/51/63/434015163.db2.gz ZGRTZDRQUNOPCC-GJZGRUSLSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377836164 434015172 /nfs/dbraw/zinc/01/51/72/434015172.db2.gz ZGRTZDRQUNOPCC-GJZGRUSLSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2c(C)cc(C)cc2O)c(OC)n1 ZINC000294352881 434098230 /nfs/dbraw/zinc/09/82/30/434098230.db2.gz PZBBWTZBPUMFFC-ZDUSSCGKSA-N 0 3 316.401 3.272 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1 ZINC000294704962 434128841 /nfs/dbraw/zinc/12/88/41/434128841.db2.gz DGVYEELBDNZBRS-GOSISDBHSA-N 0 3 315.413 3.138 20 10 DGCDHN COc1cccc(CN(C)[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000295008356 434160337 /nfs/dbraw/zinc/16/03/37/434160337.db2.gz JDIAIIDZZISAFJ-OAHLLOKOSA-N 0 3 321.804 3.220 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccccc1[O-] ZINC000295105750 434203695 /nfs/dbraw/zinc/20/36/95/434203695.db2.gz KZIZMQCHZODWBQ-DOTOQJQBSA-N 0 3 303.377 3.176 20 10 DGCDHN Oc1cc2c(cc1CNCc1cc(C3CC3)ccc1F)OCO2 ZINC000295160737 434231564 /nfs/dbraw/zinc/23/15/64/434231564.db2.gz SFXVHRQOBXEDMK-UHFFFAOYSA-N 0 3 315.344 3.427 20 10 DGCDHN CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccsc1 ZINC000295912029 434444603 /nfs/dbraw/zinc/44/46/03/434444603.db2.gz JFZFPAGGKSMWDZ-HUUCEWRRSA-N 0 3 302.443 3.334 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000295804957 434436341 /nfs/dbraw/zinc/43/63/41/434436341.db2.gz CKNCQTPLLAZKIB-GOSISDBHSA-N 0 3 324.424 3.006 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000367687362 434554647 /nfs/dbraw/zinc/55/46/47/434554647.db2.gz QJOVPEISUHOHCS-GJZGRUSLSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000367687362 434554654 /nfs/dbraw/zinc/55/46/54/434554654.db2.gz QJOVPEISUHOHCS-GJZGRUSLSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cc(Cl)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[O-] ZINC000368043823 434566713 /nfs/dbraw/zinc/56/67/13/434566713.db2.gz QDXOWTXZNOJXMU-DOMZBBRYSA-N 0 3 324.852 3.113 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1[O-] ZINC000368624031 434580654 /nfs/dbraw/zinc/58/06/54/434580654.db2.gz KTXOMHKFMCGBPH-HNNXBMFYSA-N 0 3 324.852 3.114 20 10 DGCDHN C[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(N(C)C)cc1 ZINC000370670001 434615587 /nfs/dbraw/zinc/61/55/87/434615587.db2.gz UPENJIGDRSYCHO-HNNXBMFYSA-N 0 3 321.428 3.184 20 10 DGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000371337200 434672268 /nfs/dbraw/zinc/67/22/68/434672268.db2.gz TUKMHLCTOATREP-UHFFFAOYSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cccc([C@@H](CNCc2ccc3c(c2)CCO3)OC)c1 ZINC000527739700 435013749 /nfs/dbraw/zinc/01/37/49/435013749.db2.gz SPJLKWXKIXLSII-LJQANCHMSA-N 0 3 313.397 3.107 20 10 DGCDHN CC1(C)CN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC000662638433 436373407 /nfs/dbraw/zinc/37/34/07/436373407.db2.gz ZOXBRVLCYOZGGX-UHFFFAOYSA-N 0 3 306.409 3.270 20 10 DGCDHN CC[C@@H](CO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000295170905 335130716 /nfs/dbraw/zinc/13/07/16/335130716.db2.gz UGCFUPDAWOCLHS-KRWDZBQOSA-N 0 3 315.413 3.174 20 10 DGCDHN CC[C@@H](CO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000295170905 335130718 /nfs/dbraw/zinc/13/07/18/335130718.db2.gz UGCFUPDAWOCLHS-KRWDZBQOSA-N 0 3 315.413 3.174 20 10 DGCDHN COc1ccc(N2CCC[N@H+](Cc3ccccc3[O-])CC2)cc1 ZINC000179562412 534002764 /nfs/dbraw/zinc/00/27/64/534002764.db2.gz HQCGQPSPTBHREA-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN COc1ccc(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)cc1 ZINC000179562412 534002770 /nfs/dbraw/zinc/00/27/70/534002770.db2.gz HQCGQPSPTBHREA-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN [O-]c1ccccc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000134228048 534457230 /nfs/dbraw/zinc/45/72/30/534457230.db2.gz YMJYXVPRGCSMME-UHFFFAOYSA-N 0 3 305.761 3.107 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180020545 521051609 /nfs/dbraw/zinc/05/16/09/521051609.db2.gz MXECQFYRMNKPBQ-UONOGXRCSA-N 0 3 322.424 3.048 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180020545 521051618 /nfs/dbraw/zinc/05/16/18/521051618.db2.gz MXECQFYRMNKPBQ-UONOGXRCSA-N 0 3 322.424 3.048 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000189837845 521151184 /nfs/dbraw/zinc/15/11/84/521151184.db2.gz FVASJESUQHCJLD-LJQANCHMSA-N 0 3 315.413 3.178 20 10 DGCDHN CCSc1cc(CNCc2cccc(OC)c2O)ccn1 ZINC000189590501 521734211 /nfs/dbraw/zinc/73/42/11/521734211.db2.gz BZGGFQKCVMVEST-UHFFFAOYSA-N 0 3 304.415 3.198 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCc2cccs2)cc1OC ZINC000160309826 522769221 /nfs/dbraw/zinc/76/92/21/522769221.db2.gz YKYPRMNKFJGIIE-UHFFFAOYSA-N 0 3 307.415 3.145 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2cccs2)cc1OC ZINC000160309826 522769235 /nfs/dbraw/zinc/76/92/35/522769235.db2.gz YKYPRMNKFJGIIE-UHFFFAOYSA-N 0 3 307.415 3.145 20 10 DGCDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2[O-])C1)C(=O)OC(C)(C)C ZINC000180075615 523139376 /nfs/dbraw/zinc/13/93/76/523139376.db2.gz BCJJWMPHXNZIHT-CQSZACIVSA-N 0 3 320.433 3.081 20 10 DGCDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1)C(=O)OC(C)(C)C ZINC000180075615 523139380 /nfs/dbraw/zinc/13/93/80/523139380.db2.gz BCJJWMPHXNZIHT-CQSZACIVSA-N 0 3 320.433 3.081 20 10 DGCDHN CC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(CC)CC ZINC000265408212 523785732 /nfs/dbraw/zinc/78/57/32/523785732.db2.gz CSCYGKUHSCSOSU-GOSISDBHSA-N 0 3 317.477 3.023 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1C ZINC000266242088 525321640 /nfs/dbraw/zinc/32/16/40/525321640.db2.gz XSLIEOIEPSPHPR-INIZCTEOSA-N 0 3 317.404 3.089 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1 ZINC000156672410 525349067 /nfs/dbraw/zinc/34/90/67/525349067.db2.gz VIEVSBITZCKKIX-QGZVFWFLSA-N 0 3 305.805 3.351 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1 ZINC000156672282 525349467 /nfs/dbraw/zinc/34/94/67/525349467.db2.gz VIEVSBITZCKKIX-KRWDZBQOSA-N 0 3 305.805 3.351 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000113341643 525350375 /nfs/dbraw/zinc/35/03/75/525350375.db2.gz AGIFRQLLHSDDGR-UHFFFAOYSA-N 0 3 324.424 3.113 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000267061862 526337834 /nfs/dbraw/zinc/33/78/34/526337834.db2.gz PHLNRCIWRATYGC-SFHVURJKSA-N 0 3 315.438 3.017 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180271219 526349470 /nfs/dbraw/zinc/34/94/70/526349470.db2.gz ZNMDLUJMBGSTGE-ZBFHGGJFSA-N 0 3 305.349 3.212 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180271219 526349473 /nfs/dbraw/zinc/34/94/73/526349473.db2.gz ZNMDLUJMBGSTGE-ZBFHGGJFSA-N 0 3 305.349 3.212 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000180152915 527550390 /nfs/dbraw/zinc/55/03/90/527550390.db2.gz YHSPSLBFKJFNOI-QGZVFWFLSA-N 0 3 301.361 3.013 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000180152915 527550393 /nfs/dbraw/zinc/55/03/93/527550393.db2.gz YHSPSLBFKJFNOI-QGZVFWFLSA-N 0 3 301.361 3.013 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccccc1[O-] ZINC000274984510 535934747 /nfs/dbraw/zinc/93/47/47/535934747.db2.gz ZSLBBEXZTHPNQX-LZWOXQAQSA-N 0 3 304.434 3.080 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccccc1[O-] ZINC000274984504 535946334 /nfs/dbraw/zinc/94/63/34/535946334.db2.gz ZSLBBEXZTHPNQX-DZKIICNBSA-N 0 3 304.434 3.080 20 10 DGCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCC1CCC1 ZINC000731847153 574560248 /nfs/dbraw/zinc/56/02/48/574560248.db2.gz FQBBGUVODVQUOS-UHFFFAOYSA-N 0 3 316.445 3.053 20 10 DGCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCC1CCC1 ZINC000731847153 574560250 /nfs/dbraw/zinc/56/02/50/574560250.db2.gz FQBBGUVODVQUOS-UHFFFAOYSA-N 0 3 316.445 3.053 20 10 DGCDHN CC1(c2ccccc2)CC([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000733326500 574616204 /nfs/dbraw/zinc/61/62/04/574616204.db2.gz HASXNJYZXRNISS-UHFFFAOYSA-N 0 3 311.381 3.331 20 10 DGCDHN CSC[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000736361190 574745586 /nfs/dbraw/zinc/74/55/86/574745586.db2.gz PKYVWVJGIHOLNG-ZDUSSCGKSA-N 0 3 323.462 3.426 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@H](O)c2ccc(C)o2)cc1F ZINC000741262803 574954541 /nfs/dbraw/zinc/95/45/41/574954541.db2.gz WOLWVMNZQVMWJF-KRWDZBQOSA-N 0 3 320.408 3.397 20 10 DGCDHN CCN(CC)c1ccc(CNCCC(=O)OC(C)(C)C)cc1 ZINC000742371856 574993456 /nfs/dbraw/zinc/99/34/56/574993456.db2.gz AEXUXDIEWKFFMM-UHFFFAOYSA-N 0 3 306.450 3.354 20 10 DGCDHN CCOC(=O)CC[N@@H+](Cc1cc2c(cc1[O-])CCC2)CC1CC1 ZINC000743359963 575046109 /nfs/dbraw/zinc/04/61/09/575046109.db2.gz YZNKYWJMRYFHHX-UHFFFAOYSA-N 0 3 317.429 3.046 20 10 DGCDHN CCOC(=O)CC[N@H+](Cc1cc2c(cc1[O-])CCC2)CC1CC1 ZINC000743359963 575046111 /nfs/dbraw/zinc/04/61/11/575046111.db2.gz YZNKYWJMRYFHHX-UHFFFAOYSA-N 0 3 317.429 3.046 20 10 DGCDHN CSCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743629525 575059571 /nfs/dbraw/zinc/05/95/71/575059571.db2.gz UORJWXOZVBVOPE-UHFFFAOYSA-N 0 3 309.435 3.038 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1COc2ccccc2O1 ZINC000743870574 575067595 /nfs/dbraw/zinc/06/75/95/575067595.db2.gz XYEWXVGENMPILZ-MRXNPFEDSA-N 0 3 313.397 3.444 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1COc2ccccc2O1 ZINC000743870574 575067598 /nfs/dbraw/zinc/06/75/98/575067598.db2.gz XYEWXVGENMPILZ-MRXNPFEDSA-N 0 3 313.397 3.444 20 10 DGCDHN CCCN(CC(=O)N(CCC)CCC)Cc1ccccc1O ZINC000729474951 575250925 /nfs/dbraw/zinc/25/09/25/575250925.db2.gz LZQBNWWHOUGGQT-UHFFFAOYSA-N 0 3 306.450 3.253 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC000746134256 575434925 /nfs/dbraw/zinc/43/49/25/575434925.db2.gz OWRPMJCLPAIYFO-HZPDHXFCSA-N 0 3 317.477 3.022 20 10 DGCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3ccns3)C2)cc1 ZINC000926679415 618085161 /nfs/dbraw/zinc/08/51/61/618085161.db2.gz DYKGPTOPASQCAB-STQMWFEESA-N 0 3 303.431 3.081 20 10 DGCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3c(C)noc3C)C2)cc1 ZINC000926680206 618085795 /nfs/dbraw/zinc/08/57/95/618085795.db2.gz KZWOGJUJYHFODS-IUODEOHRSA-N 0 3 315.417 3.230 20 10 DGCDHN COc1ccc(CN2CCC[C@@H]2c2cccnc2)c(O)c1OC ZINC000894449788 618334119 /nfs/dbraw/zinc/33/41/19/618334119.db2.gz QBOHGWJWAXBULV-OAHLLOKOSA-N 0 3 314.385 3.142 20 10 DGCDHN O=c1cc[nH]c2cc(CNCc3ccc4c(c3)CCCO4)ccc12 ZINC000895273861 618585638 /nfs/dbraw/zinc/58/56/38/618585638.db2.gz QRPGTLXHRYBLEE-UHFFFAOYSA-N 0 3 320.392 3.143 20 10 DGCDHN CC1=NO[C@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000895305604 618591160 /nfs/dbraw/zinc/59/11/60/618591160.db2.gz UTAKKBZEMJJOCB-ZDUSSCGKSA-N 0 3 315.339 3.026 20 10 DGCDHN CC1=NO[C@@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000895305603 618591312 /nfs/dbraw/zinc/59/13/12/618591312.db2.gz UTAKKBZEMJJOCB-CYBMUJFWSA-N 0 3 315.339 3.026 20 10 DGCDHN CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000925784390 618619529 /nfs/dbraw/zinc/61/95/29/618619529.db2.gz NDNVRQLQWMHCIV-OASPWFOLSA-N 0 3 302.340 3.060 20 10 DGCDHN COc1cc(C)cc(CN2CC(c3nc4ccccc4[nH]3)C2)c1O ZINC000894050125 618699573 /nfs/dbraw/zinc/69/95/73/618699573.db2.gz PHQMKSHMJKOVFX-UHFFFAOYSA-N 0 3 323.396 3.185 20 10 DGCDHN COc1ccc(CN2CCc3cccc(C)c3C2)c(O)c1OC ZINC000894037306 618699965 /nfs/dbraw/zinc/69/99/65/618699965.db2.gz ZNINOXBXEUOOLZ-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN CCOc1ccccc1CNCc1cc(C)cc(OC)c1O ZINC000894200314 618727570 /nfs/dbraw/zinc/72/75/70/618727570.db2.gz ZHDTYBHGTPRUAB-UHFFFAOYSA-N 0 3 301.386 3.398 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@H](c3nccs3)C2)cc1F ZINC000895585103 618802761 /nfs/dbraw/zinc/80/27/61/618802761.db2.gz WBOVQXABXVVTLR-CYBMUJFWSA-N 0 3 305.422 3.338 20 10 DGCDHN CCOc1ccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c([O-])c1 ZINC000895657676 618813058 /nfs/dbraw/zinc/81/30/58/618813058.db2.gz CXSWGLDBGPKLAK-SFHVURJKSA-N 0 3 315.413 3.393 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN1CCC(C(=O)OC(C)C)CC1 ZINC000895828079 618834530 /nfs/dbraw/zinc/83/45/30/618834530.db2.gz JBVQDMIKAXOQPW-UHFFFAOYSA-N 0 3 318.461 3.225 20 10 DGCDHN CCc1cccc(CN2CCc3cc(O)c(OC)cc3C2)c1O ZINC000895887257 618845583 /nfs/dbraw/zinc/84/55/83/618845583.db2.gz ISDCELUQGGKIKL-UHFFFAOYSA-N 0 3 313.397 3.227 20 10 DGCDHN CN(C)CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cccnc1 ZINC000896718764 618947774 /nfs/dbraw/zinc/94/77/74/618947774.db2.gz CXRLGVLMJUJOAB-MRXNPFEDSA-N 0 3 319.836 3.223 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000896820762 618965135 /nfs/dbraw/zinc/96/51/35/618965135.db2.gz BIODCTUUFFAHPO-SMDDNHRTSA-N 0 3 303.324 3.290 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1[O-] ZINC000897778828 619181572 /nfs/dbraw/zinc/18/15/72/619181572.db2.gz KTLXFJJZIDLVQC-NBZBQWRSSA-N 0 3 311.809 3.101 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]CCCNCc2cccnc2)c1[O-] ZINC000841043383 619245270 /nfs/dbraw/zinc/24/52/70/619245270.db2.gz VHVFIEWQQXLBOE-UHFFFAOYSA-N 0 3 319.836 3.019 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccccc1[O-] ZINC000926923801 619249747 /nfs/dbraw/zinc/24/97/47/619249747.db2.gz YUQHUTXIHLUGKP-TZMCWYRMSA-N 0 3 316.367 3.460 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902470393 619642225 /nfs/dbraw/zinc/64/22/25/619642225.db2.gz WMMMXWPBOXYUQX-IWXIMVSXSA-N 0 3 301.217 3.243 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCc2cc(N(C)C)ccn2)cc1 ZINC000903201896 619735767 /nfs/dbraw/zinc/73/57/67/619735767.db2.gz QOFYAMOBDHDTDZ-HNNXBMFYSA-N 0 3 312.461 3.455 20 10 DGCDHN C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1cc(F)ccc1[O-] ZINC000903240493 619742696 /nfs/dbraw/zinc/74/26/96/619742696.db2.gz SORNDAZCNYMRMX-GFCCVEGCSA-N 0 3 303.381 3.379 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1ccc(C)cc1[O-] ZINC000903269677 619749508 /nfs/dbraw/zinc/74/95/08/619749508.db2.gz AZEHAWCAFPAVOR-BBWFWOEESA-N 0 3 320.502 3.321 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2cnn(CCF)c2)c2c1c(F)ccc2[O-] ZINC000903274426 619750584 /nfs/dbraw/zinc/75/05/84/619750584.db2.gz MBTVXDJQHPNGBZ-GWCFXTLKSA-N 0 3 307.344 3.035 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C1(c3ccc4c(c3)OCCO4)CC1)CC2 ZINC000903293651 619752410 /nfs/dbraw/zinc/75/24/10/619752410.db2.gz FONKQDHJAJQNBR-OAHLLOKOSA-N 0 3 323.392 3.430 20 10 DGCDHN C[C@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000903312299 619757939 /nfs/dbraw/zinc/75/79/39/619757939.db2.gz YQVFQDALIQHCSE-YJBOKZPZSA-N 0 3 301.361 3.016 20 10 DGCDHN COc1cc2c(cc1CNCc1cc(C)ccc1O)O[C@@H](C)C2 ZINC000113319774 620900411 /nfs/dbraw/zinc/90/04/11/620900411.db2.gz CFBDVDIBWVFTPE-ZDUSSCGKSA-N 0 3 313.397 3.322 20 10 DGCDHN CC(=O)N(C)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000922283448 621016978 /nfs/dbraw/zinc/01/69/78/621016978.db2.gz AJJBSGMTWKHIMC-UHFFFAOYSA-N 0 3 324.424 3.284 20 10 DGCDHN CCOc1ccc(CNCc2cc(OC)ccc2F)c(O)c1 ZINC000856800391 621023303 /nfs/dbraw/zinc/02/33/03/621023303.db2.gz CVTGJDQFBJCNFQ-UHFFFAOYSA-N 0 3 305.349 3.228 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c([O-])c1 ZINC000922703411 621085623 /nfs/dbraw/zinc/08/56/23/621085623.db2.gz VRLXSIVCQIAUFU-CYBMUJFWSA-N 0 3 313.397 3.404 20 10 DGCDHN Fc1cc(CNCc2ccc(N3CCSCC3)cc2)ccn1 ZINC000858100632 621152889 /nfs/dbraw/zinc/15/28/89/621152889.db2.gz VQKIKKYQSCPEKI-UHFFFAOYSA-N 0 3 317.433 3.064 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(C)cc1[O-] ZINC000858479361 621196252 /nfs/dbraw/zinc/19/62/52/621196252.db2.gz PQYWSQBNPANRNB-UKRRQHHQSA-N 0 3 312.404 3.471 20 10 DGCDHN C/C=C\C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000858536022 621202868 /nfs/dbraw/zinc/20/28/68/621202868.db2.gz DAJSVQARBPQWCG-WBSSQXGSSA-N 0 3 300.196 3.390 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CC(Cc2ccc(F)c(F)c2)C1 ZINC000839143724 621340962 /nfs/dbraw/zinc/34/09/62/621340962.db2.gz JXECYGRZJUUWHC-UHFFFAOYSA-N 0 3 307.315 3.484 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1[O-] ZINC000839193413 621347888 /nfs/dbraw/zinc/34/78/88/621347888.db2.gz UNFJPMNKYZBTIC-DLBZAZTESA-N 0 3 319.445 3.164 20 10 DGCDHN CCOc1cccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1[O-] ZINC000839193413 621347891 /nfs/dbraw/zinc/34/78/91/621347891.db2.gz UNFJPMNKYZBTIC-DLBZAZTESA-N 0 3 319.445 3.164 20 10 DGCDHN Cc1ccc(O)c(CNC(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000860408702 621402922 /nfs/dbraw/zinc/40/29/22/621402922.db2.gz LLHYIDBUNPIKGS-UHFFFAOYSA-N 0 3 313.401 3.084 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1[O-] ZINC000753577378 621450293 /nfs/dbraw/zinc/45/02/93/621450293.db2.gz USAOUTTUXMMXGA-HZMBPMFUSA-N 0 3 314.223 3.120 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000754727805 621528487 /nfs/dbraw/zinc/52/84/87/621528487.db2.gz QKNJHAWSHFBOCE-IBGZPJMESA-N 0 3 310.441 3.498 20 10 DGCDHN CCOC(=O)c1[nH]c(C)c(C[N@H+](C)Cc2ccccc2[O-])c1C ZINC000862228019 621563955 /nfs/dbraw/zinc/56/39/55/621563955.db2.gz KUDIHJZMZPQAKE-UHFFFAOYSA-N 0 3 316.401 3.146 20 10 DGCDHN CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)Cc2ccccc2[O-])c1C ZINC000862228019 621563958 /nfs/dbraw/zinc/56/39/58/621563958.db2.gz KUDIHJZMZPQAKE-UHFFFAOYSA-N 0 3 316.401 3.146 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000862253099 621568178 /nfs/dbraw/zinc/56/81/78/621568178.db2.gz IQZWHLUSIDGSKW-KBPBESRZSA-N 0 3 324.415 3.279 20 10 DGCDHN CC(C)CCOCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000755943559 621605448 /nfs/dbraw/zinc/60/54/48/621605448.db2.gz LJPGHLNNFJTVEA-GOSISDBHSA-N 0 3 321.461 3.436 20 10 DGCDHN CC(C)CCOCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000755943559 621605451 /nfs/dbraw/zinc/60/54/51/621605451.db2.gz LJPGHLNNFJTVEA-GOSISDBHSA-N 0 3 321.461 3.436 20 10 DGCDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000756460836 621640094 /nfs/dbraw/zinc/64/00/94/621640094.db2.gz UIRHEQNVTUYNLI-DZGCQCFKSA-N 0 3 303.377 3.033 20 10 DGCDHN COCCOCCCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756516181 621644433 /nfs/dbraw/zinc/64/44/33/621644433.db2.gz IDFMMVCXTKQPAU-TZMCWYRMSA-N 0 3 311.397 3.112 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCCc2cnn(C)c2)c2c1c(F)ccc2[O-] ZINC000756525455 621644976 /nfs/dbraw/zinc/64/49/76/621644976.db2.gz BTVFLBCGJDALPP-FZMZJTMJSA-N 0 3 303.381 3.036 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756606988 621652151 /nfs/dbraw/zinc/65/21/51/621652151.db2.gz LPTYKOQGTVYNRC-JQWIXIFHSA-N 0 3 309.381 3.401 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCNc2ccccn2)c2c1c(F)ccc2[O-] ZINC000756604878 621652399 /nfs/dbraw/zinc/65/23/99/621652399.db2.gz GVBUVLHJDWCEQP-AAEUAGOBSA-N 0 3 301.365 3.176 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756633002 621654741 /nfs/dbraw/zinc/65/47/41/621654741.db2.gz GKGHMPKXOXYLFR-XPKDYRNWSA-N 0 3 315.388 3.445 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(N(C)C)CCSC2)c2c1c(F)ccc2[O-] ZINC000756638598 621654756 /nfs/dbraw/zinc/65/47/56/621654756.db2.gz UWZGVILSYBXIRJ-BTJLNZGRSA-N 0 3 324.465 3.107 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000756641362 621655172 /nfs/dbraw/zinc/65/51/72/621655172.db2.gz VBKBWIPSKXSEFO-LFTYMFRLSA-N 0 3 313.372 3.328 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c2c1c(F)ccc2[O-] ZINC000756644440 621655732 /nfs/dbraw/zinc/65/57/32/621655732.db2.gz AGGLJAWMJFRHEW-FDRIWYBQSA-N 0 3 304.409 3.152 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000756707570 621659522 /nfs/dbraw/zinc/65/95/22/621659522.db2.gz JJZPXMCZXNIMHJ-ZDUSSCGKSA-N 0 3 316.357 3.338 20 10 DGCDHN Cc1cccc(NCC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC000756746188 621662228 /nfs/dbraw/zinc/66/22/28/621662228.db2.gz IOEKDYMBGDHKQB-FZMZJTMJSA-N 0 3 315.392 3.485 20 10 DGCDHN Cc1cccc(NCC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC000756746195 621662254 /nfs/dbraw/zinc/66/22/54/621662254.db2.gz IOEKDYMBGDHKQB-RISCZKNCSA-N 0 3 315.392 3.485 20 10 DGCDHN C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1cc(F)ccc1[O-] ZINC000756756967 621662459 /nfs/dbraw/zinc/66/24/59/621662459.db2.gz ASUJKEMUWOOWLQ-JSGCOSHPSA-N 0 3 317.360 3.412 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)c2c1c(F)ccc2[O-] ZINC000756785952 621664292 /nfs/dbraw/zinc/66/42/92/621664292.db2.gz HCVLLGGNJFRMRW-BZPMIXESSA-N 0 3 321.392 3.355 20 10 DGCDHN CCCCN(Cc1ccccc1O)C(=O)CN(C)C1CCC1 ZINC000863912541 621718158 /nfs/dbraw/zinc/71/81/58/621718158.db2.gz IVUPSRXUHJUGQE-UHFFFAOYSA-N 0 3 304.434 3.005 20 10 DGCDHN C[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757659423 621731885 /nfs/dbraw/zinc/73/18/85/621731885.db2.gz XUINIBASHUJOIU-KBPBESRZSA-N 0 3 321.421 3.216 20 10 DGCDHN CCOc1ccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c([O-])c1 ZINC000758498108 621785371 /nfs/dbraw/zinc/78/53/71/621785371.db2.gz HPYGNWGEXNQWFG-KRWDZBQOSA-N 0 3 307.434 3.476 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000865726959 621984654 /nfs/dbraw/zinc/98/46/54/621984654.db2.gz XAUOEISDNMORFC-QGZVFWFLSA-N 0 3 305.418 3.230 20 10 DGCDHN CN(Cc1cccc(F)c1[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000761222828 621995739 /nfs/dbraw/zinc/99/57/39/621995739.db2.gz NDKNBZIQMSSEFN-UHFFFAOYSA-N 0 3 318.392 3.108 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000866465211 622122952 /nfs/dbraw/zinc/12/29/52/622122952.db2.gz PQIQMOAMOVPCGM-WDMOLILDSA-N 0 3 304.356 3.105 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccccc1[O-] ZINC000866533742 622133905 /nfs/dbraw/zinc/13/39/05/622133905.db2.gz VAHWVORBKSNPDO-ZBFHGGJFSA-N 0 3 305.418 3.019 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nccc32)c2c1c(F)ccc2[O-] ZINC000866634499 622150833 /nfs/dbraw/zinc/15/08/33/622150833.db2.gz ROYHNIAZFLXLCE-RTXFEEFZSA-N 0 3 301.365 3.401 20 10 DGCDHN O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccccc1[O-])CC2 ZINC000765626483 622277821 /nfs/dbraw/zinc/27/78/21/622277821.db2.gz OBJZJTGFSZHJAW-UHFFFAOYSA-N 0 3 322.408 3.315 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000767930579 622428623 /nfs/dbraw/zinc/42/86/23/622428623.db2.gz WIXQJYGXFHDMAR-CQSZACIVSA-N 0 3 305.418 3.372 20 10 DGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000767930576 622428784 /nfs/dbraw/zinc/42/87/84/622428784.db2.gz WIXQJYGXFHDMAR-AWEZNQCLSA-N 0 3 305.418 3.372 20 10 DGCDHN COc1cccc(O)c1CN(C)CCOc1ccc(C)cc1 ZINC000768211768 622445621 /nfs/dbraw/zinc/44/56/21/622445621.db2.gz DEXDDNYORNSNCY-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1cccc([O-])c1C[N@H+](C)CCOc1ccc(C)cc1 ZINC000768211768 622445622 /nfs/dbraw/zinc/44/56/22/622445622.db2.gz DEXDDNYORNSNCY-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+](C)CCOc1ccc(C)cc1 ZINC000768211768 622445624 /nfs/dbraw/zinc/44/56/24/622445624.db2.gz DEXDDNYORNSNCY-UHFFFAOYSA-N 0 3 301.386 3.220 20 10 DGCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)c([O-])c1 ZINC000768239703 622447023 /nfs/dbraw/zinc/44/70/23/622447023.db2.gz KNVMINRXVTXYQG-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(O)c(OC)c2)c([O-])c1 ZINC000768239703 622447025 /nfs/dbraw/zinc/44/70/25/622447025.db2.gz KNVMINRXVTXYQG-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN CCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437838 622455750 /nfs/dbraw/zinc/45/57/50/622455750.db2.gz KFVWITPBUYYFHF-GOSISDBHSA-N 0 3 313.397 3.230 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437838 622455752 /nfs/dbraw/zinc/45/57/52/622455752.db2.gz KFVWITPBUYYFHF-GOSISDBHSA-N 0 3 313.397 3.230 20 10 DGCDHN CC(C)[N@H+](Cc1cccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442583 622456197 /nfs/dbraw/zinc/45/61/97/622456197.db2.gz MBKHAUQWXQQPIZ-MRXNPFEDSA-N 0 3 319.426 3.290 20 10 DGCDHN CC(C)[N@@H+](Cc1cccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442583 622456200 /nfs/dbraw/zinc/45/62/00/622456200.db2.gz MBKHAUQWXQQPIZ-MRXNPFEDSA-N 0 3 319.426 3.290 20 10 DGCDHN CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463624 622457940 /nfs/dbraw/zinc/45/79/40/622457940.db2.gz KNAQKBBHTFTBLD-YOEHRIQHSA-N 0 3 305.418 3.219 20 10 DGCDHN CC(C)C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463624 622457941 /nfs/dbraw/zinc/45/79/41/622457941.db2.gz KNAQKBBHTFTBLD-YOEHRIQHSA-N 0 3 305.418 3.219 20 10 DGCDHN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769103786 622498454 /nfs/dbraw/zinc/49/84/54/622498454.db2.gz SYWKBABLUTZWBP-AWEZNQCLSA-N 0 3 303.406 3.427 20 10 DGCDHN COc1ccc([C@@H]2CC[N@H+](Cc3c([O-])cccc3OC)C2)cc1 ZINC000769246270 622510449 /nfs/dbraw/zinc/51/04/49/622510449.db2.gz ZBNAAKMOZWNBQD-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3c([O-])cccc3OC)C2)cc1 ZINC000769246270 622510452 /nfs/dbraw/zinc/51/04/52/622510452.db2.gz ZBNAAKMOZWNBQD-OAHLLOKOSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000769316365 622516735 /nfs/dbraw/zinc/51/67/35/622516735.db2.gz OETGOCNKTVTGHP-IBGZPJMESA-N 0 3 313.397 3.364 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000769316365 622516736 /nfs/dbraw/zinc/51/67/36/622516736.db2.gz OETGOCNKTVTGHP-IBGZPJMESA-N 0 3 313.397 3.364 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)c1[O-] ZINC000769472912 622531519 /nfs/dbraw/zinc/53/15/19/622531519.db2.gz KRVJSMPDFOSTOR-JKSUJKDBSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)c1[O-] ZINC000769472912 622531520 /nfs/dbraw/zinc/53/15/20/622531520.db2.gz KRVJSMPDFOSTOR-JKSUJKDBSA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)c([O-])c1 ZINC000769474889 622531549 /nfs/dbraw/zinc/53/15/49/622531549.db2.gz SWQZKCDJXDMQJC-SJORKVTESA-N 0 3 307.434 3.426 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)c([O-])c1 ZINC000769474889 622531550 /nfs/dbraw/zinc/53/15/50/622531550.db2.gz SWQZKCDJXDMQJC-SJORKVTESA-N 0 3 307.434 3.426 20 10 DGCDHN CN(C)c1ccc(CN(C)CCC(=O)OC(C)(C)C)cc1F ZINC000769497233 622534046 /nfs/dbraw/zinc/53/40/46/622534046.db2.gz AFKXDADYRCWLCL-UHFFFAOYSA-N 0 3 310.413 3.055 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@](C)(C(=O)OC)C2)cc1F ZINC000769525313 622537794 /nfs/dbraw/zinc/53/77/94/622537794.db2.gz HIRCIJPQWHVHPH-SFHVURJKSA-N 0 3 322.424 3.057 20 10 DGCDHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC000770504551 622640227 /nfs/dbraw/zinc/64/02/27/622640227.db2.gz IZLISEHPMQFEJR-ZIAGYGMSSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC000770504551 622640231 /nfs/dbraw/zinc/64/02/31/622640231.db2.gz IZLISEHPMQFEJR-ZIAGYGMSSA-N 0 3 320.433 3.127 20 10 DGCDHN Oc1ccccc1CN1CCN(c2ccc3ccccc3n2)CC1 ZINC000770509531 622640295 /nfs/dbraw/zinc/64/02/95/622640295.db2.gz NJKLYNRGRUWYLO-UHFFFAOYSA-N 0 3 319.408 3.263 20 10 DGCDHN [O-]c1ccccc1C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000770509531 622640299 /nfs/dbraw/zinc/64/02/99/622640299.db2.gz NJKLYNRGRUWYLO-UHFFFAOYSA-N 0 3 319.408 3.263 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000770511054 622641371 /nfs/dbraw/zinc/64/13/71/622641371.db2.gz XMKOZUGUWNQNST-UHFFFAOYSA-N 0 3 324.424 3.129 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000770511054 622641374 /nfs/dbraw/zinc/64/13/74/622641374.db2.gz XMKOZUGUWNQNST-UHFFFAOYSA-N 0 3 324.424 3.129 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CCOc2ccccc2)c([O-])c1 ZINC000771932028 622818075 /nfs/dbraw/zinc/81/80/75/622818075.db2.gz SVVWDNCLMIVNDE-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CCOc2ccccc2)c([O-])c1 ZINC000771932028 622818081 /nfs/dbraw/zinc/81/80/81/622818081.db2.gz SVVWDNCLMIVNDE-UHFFFAOYSA-N 0 3 301.386 3.302 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C3CCC3)CC1)[C@H](O)CO2 ZINC000872701364 622956043 /nfs/dbraw/zinc/95/60/43/622956043.db2.gz WBJHNASPRZKZRX-KBXCAEBGSA-N 0 3 317.429 3.220 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C3CCC3)CC1)[C@H](O)CO2 ZINC000872701364 622956046 /nfs/dbraw/zinc/95/60/46/622956046.db2.gz WBJHNASPRZKZRX-KBXCAEBGSA-N 0 3 317.429 3.220 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000872813294 622984091 /nfs/dbraw/zinc/98/40/91/622984091.db2.gz JHCCCNSSOLXVPQ-ZDUSSCGKSA-N 0 3 303.324 3.162 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773115858 622986684 /nfs/dbraw/zinc/98/66/84/622986684.db2.gz AITPMOKSFVZDHK-KGLIPLIRSA-N 0 3 317.408 3.402 20 10 DGCDHN Nc1cnc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000873208766 623076167 /nfs/dbraw/zinc/07/61/67/623076167.db2.gz GMXKSLFKRVVKJS-UHFFFAOYSA-N 0 3 312.417 3.099 20 10 DGCDHN Nc1cnc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000873208766 623076171 /nfs/dbraw/zinc/07/61/71/623076171.db2.gz GMXKSLFKRVVKJS-UHFFFAOYSA-N 0 3 312.417 3.099 20 10 DGCDHN COc1cc(CN2CCOCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000774660568 623172705 /nfs/dbraw/zinc/17/27/05/623172705.db2.gz ORHDPNRFZNQFJO-CYBMUJFWSA-N 0 3 307.434 3.309 20 10 DGCDHN CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1nccs1 ZINC000775025748 623217550 /nfs/dbraw/zinc/21/75/50/623217550.db2.gz WFNCOTDPSHOVAA-JTQLQIEISA-N 0 3 323.374 3.006 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000775128392 623234245 /nfs/dbraw/zinc/23/42/45/623234245.db2.gz ASEAHWLHCRWWMA-ILXRZTDVSA-N 0 3 324.424 3.409 20 10 DGCDHN CCC[C@@]1(C(=O)OCC)CCCN1Cc1cccc(C)c1O ZINC000775186031 623239179 /nfs/dbraw/zinc/23/91/79/623239179.db2.gz ZIALXWDARBZLNQ-SFHVURJKSA-N 0 3 305.418 3.398 20 10 DGCDHN CCC[C@]1(C(=O)OCC)CCCN1Cc1cc(C)ccc1O ZINC000775184922 623239325 /nfs/dbraw/zinc/23/93/25/623239325.db2.gz UBCGCVVOKBSHEZ-GOSISDBHSA-N 0 3 305.418 3.398 20 10 DGCDHN CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(OCC)cc1[O-])C(C)C ZINC000775373949 623261297 /nfs/dbraw/zinc/26/12/97/623261297.db2.gz FNIZOZGLLOJZJD-GOSISDBHSA-N 0 3 323.433 3.248 20 10 DGCDHN CC[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccccc1[O-] ZINC000775414084 623271588 /nfs/dbraw/zinc/27/15/88/623271588.db2.gz KWYIIADDHDZJAW-KRWDZBQOSA-N 0 3 312.413 3.335 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccccc1[O-] ZINC000775488644 623280216 /nfs/dbraw/zinc/28/02/16/623280216.db2.gz PVFAPVRZVYKUNA-MRXNPFEDSA-N 0 3 316.401 3.053 20 10 DGCDHN Cc1ccccc1CN1CCN(Cc2cccc(C)c2O)CC1 ZINC000775646847 623303621 /nfs/dbraw/zinc/30/36/21/623303621.db2.gz PAIMPSZRKBAJGZ-UHFFFAOYSA-N 0 3 310.441 3.327 20 10 DGCDHN COC(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775831439 623338334 /nfs/dbraw/zinc/33/83/34/623338334.db2.gz SCJOVOUYVWQZBW-AWEZNQCLSA-N 0 3 312.413 3.390 20 10 DGCDHN C[C@@H](NCC(=O)NCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775830136 623338632 /nfs/dbraw/zinc/33/86/32/623338632.db2.gz DDMQDOOGKTUMIQ-OAHLLOKOSA-N 0 3 317.477 3.100 20 10 DGCDHN C[C@@H](NCC(=O)NC1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000775835399 623339588 /nfs/dbraw/zinc/33/95/88/623339588.db2.gz YBLISCHSOYAJIX-ISXOHVOVSA-N 0 3 317.477 3.098 20 10 DGCDHN COc1cc(O)c(CNCc2ccc3ccccc3n2)cc1OC ZINC000776086308 623374159 /nfs/dbraw/zinc/37/41/59/623374159.db2.gz FHAUEGFQIYQHNF-UHFFFAOYSA-N 0 3 324.380 3.247 20 10 DGCDHN CC[C@@H](NC[C@@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000777012298 623485789 /nfs/dbraw/zinc/48/57/89/623485789.db2.gz PCYBNDGKFMKGFQ-ZIAGYGMSSA-N 0 3 304.356 3.371 20 10 DGCDHN Cc1c(CN(C)Cc2cc(C(C)C)c(C)cc2O)cnn1C ZINC000790418741 625651036 /nfs/dbraw/zinc/65/10/36/625651036.db2.gz YDICALJLWRNYDY-UHFFFAOYSA-N 0 3 301.434 3.498 20 10 DGCDHN CN(Cc1cccs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876534191 623636213 /nfs/dbraw/zinc/63/62/13/623636213.db2.gz PHJJMILTTKUQGJ-UHFFFAOYSA-N 0 3 316.470 3.341 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876652316 623670356 /nfs/dbraw/zinc/67/03/56/623670356.db2.gz ARNRBHGBRPSUFL-AWEZNQCLSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000876652316 623670358 /nfs/dbraw/zinc/67/03/58/623670358.db2.gz ARNRBHGBRPSUFL-AWEZNQCLSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000876753544 623697832 /nfs/dbraw/zinc/69/78/32/623697832.db2.gz HDDAHOJAGDNCCC-UHFFFAOYSA-N 0 3 308.422 3.047 20 10 DGCDHN Cc1ccc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000876753544 623697834 /nfs/dbraw/zinc/69/78/34/623697834.db2.gz HDDAHOJAGDNCCC-UHFFFAOYSA-N 0 3 308.422 3.047 20 10 DGCDHN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1Cc1ccccc1O ZINC000779034578 623723760 /nfs/dbraw/zinc/72/37/60/623723760.db2.gz YOGUSDQNJYHDSE-IAGOWNOFSA-N 0 3 317.429 3.336 20 10 DGCDHN Cc1cccc(O)c1CNc1ccc(N2CCN(C)CC2)cc1 ZINC000876837360 623724421 /nfs/dbraw/zinc/72/44/21/623724421.db2.gz DJEQLVUJUJWYBE-UHFFFAOYSA-N 0 3 311.429 3.065 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCN1CCCc2ccccc21 ZINC000779057692 623725696 /nfs/dbraw/zinc/72/56/96/623725696.db2.gz CQNCIJOPOXBWFK-UHFFFAOYSA-N 0 3 300.377 3.074 20 10 DGCDHN COc1cccc([C@@H](C[NH2+]Cc2ccc(C)cc2[O-])N(C)C)c1 ZINC000876886031 623735925 /nfs/dbraw/zinc/73/59/25/623735925.db2.gz SYQJEPPWJGDINI-GOSISDBHSA-N 0 3 314.429 3.102 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c([O-])c1 ZINC000876888672 623736964 /nfs/dbraw/zinc/73/69/64/623736964.db2.gz UUYLFLOCJVUZHS-MRXNPFEDSA-N 0 3 300.402 3.220 20 10 DGCDHN COc1ccc(CNCc2ccc(C)cc2O)c(OC)c1OC ZINC000876943699 623750992 /nfs/dbraw/zinc/75/09/92/623750992.db2.gz HPHPANHAGKPMIG-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN OC1CCN(c2ccc(CNC3(c4ccccc4)CC3)cc2)CC1 ZINC000877009976 623764990 /nfs/dbraw/zinc/76/49/90/623764990.db2.gz HFJSRXKCNZPFQF-UHFFFAOYSA-N 0 3 322.452 3.427 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](O)c2cccc(OC(C)C)c2)c([O-])c1 ZINC000877034978 623771588 /nfs/dbraw/zinc/77/15/88/623771588.db2.gz AJRXQYHYQFLFRD-IBGZPJMESA-N 0 3 315.413 3.311 20 10 DGCDHN COC(=O)Nc1ccc(CC[NH2+]Cc2c(C)cccc2[O-])cc1 ZINC000877062142 623779901 /nfs/dbraw/zinc/77/99/01/623779901.db2.gz YXAPZBZKQFPFLS-UHFFFAOYSA-N 0 3 314.385 3.211 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000877458808 623892139 /nfs/dbraw/zinc/89/21/39/623892139.db2.gz DHRXFDMUEILYNS-DZGCQCFKSA-N 0 3 317.351 3.274 20 10 DGCDHN COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2)c([O-])c1 ZINC000877493829 623910225 /nfs/dbraw/zinc/91/02/25/623910225.db2.gz PDDBSXZVMRTFKC-ACJLOTCBSA-N 0 3 301.386 3.267 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000877567322 623945102 /nfs/dbraw/zinc/94/51/02/623945102.db2.gz JGAPWKJDFIZVJR-SJORKVTESA-N 0 3 301.430 3.482 20 10 DGCDHN Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000877567322 623945110 /nfs/dbraw/zinc/94/51/10/623945110.db2.gz JGAPWKJDFIZVJR-SJORKVTESA-N 0 3 301.430 3.482 20 10 DGCDHN OC1CCN(c2ccc(CN[C@@H]3CCCC[C@H]3F)cc2)CC1 ZINC000877589247 623953308 /nfs/dbraw/zinc/95/33/08/623953308.db2.gz KBXICZMKCCNTJV-QZTJIDSGSA-N 0 3 306.425 3.018 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C)C2)c1[O-] ZINC000780579103 623954067 /nfs/dbraw/zinc/95/40/67/623954067.db2.gz ZDSLEYZVHPIHME-SKDRFNHKSA-N 0 3 314.223 3.442 20 10 DGCDHN CC(C)(C)OC(=O)NCC1(CN2Cc3cccc(O)c3C2)CC1 ZINC000877702544 623997356 /nfs/dbraw/zinc/99/73/56/623997356.db2.gz AQALCSJYJYCEQS-UHFFFAOYSA-N 0 3 318.417 3.013 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1[O-] ZINC000877739727 624012204 /nfs/dbraw/zinc/01/22/04/624012204.db2.gz SXVIATAQTJEOOY-ZYHUDNBSSA-N 0 3 313.850 3.239 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1[O-] ZINC000877739727 624012208 /nfs/dbraw/zinc/01/22/08/624012208.db2.gz SXVIATAQTJEOOY-ZYHUDNBSSA-N 0 3 313.850 3.239 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccccc1[O-] ZINC000877755783 624021936 /nfs/dbraw/zinc/02/19/36/624021936.db2.gz MSECTWUKOKEUTN-CYBMUJFWSA-N 0 3 310.397 3.152 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccccc1[O-] ZINC000877756590 624022926 /nfs/dbraw/zinc/02/29/26/624022926.db2.gz WIULXFSVRMOWLA-CQSZACIVSA-N 0 3 318.461 3.470 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccc2oc(=O)[nH]c2c1 ZINC000877808864 624040899 /nfs/dbraw/zinc/04/08/99/624040899.db2.gz XYWAPCXXHZQKKS-UHFFFAOYSA-N 0 3 311.385 3.198 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c([O-])c1 ZINC000877811503 624043769 /nfs/dbraw/zinc/04/37/69/624043769.db2.gz MCSJVACFWBJJIJ-MRXNPFEDSA-N 0 3 305.805 3.047 20 10 DGCDHN CC(=O)Nc1ccc2c(c1)CN(Cc1cc(C)ccc1O)CC2 ZINC000877817409 624049162 /nfs/dbraw/zinc/04/91/62/624049162.db2.gz VPNIAIXPLJVXKN-UHFFFAOYSA-N 0 3 310.397 3.217 20 10 DGCDHN Cc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000877825390 624057996 /nfs/dbraw/zinc/05/79/96/624057996.db2.gz ZLCYKFPBEHERSJ-FZMZJTMJSA-N 0 3 303.324 3.242 20 10 DGCDHN COc1cc(CN2CCOCC3(CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000782297174 624235412 /nfs/dbraw/zinc/23/54/12/624235412.db2.gz HGCMCFTXMMFVKK-UHFFFAOYSA-N 0 3 319.445 3.311 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccccc1[O-] ZINC000878362504 624256838 /nfs/dbraw/zinc/25/68/38/624256838.db2.gz BDQDOQCABBQYKO-HOCLYGCPSA-N 0 3 305.418 3.161 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC=CO2)c1[O-] ZINC000783704877 624385438 /nfs/dbraw/zinc/38/54/38/624385438.db2.gz JETLCAADTOVAHI-CYBMUJFWSA-N 0 3 312.207 3.245 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc(Cl)cn1 ZINC000879648163 624620988 /nfs/dbraw/zinc/62/09/88/624620988.db2.gz AOTGOOWKNDMBML-GHMZBOCLSA-N 0 3 319.792 3.118 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccccc1[O-] ZINC000879647881 624621433 /nfs/dbraw/zinc/62/14/33/624621433.db2.gz PAXWRIIVHFRADC-CQSZACIVSA-N 0 3 302.418 3.050 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1ccccc1[O-] ZINC000879648987 624622491 /nfs/dbraw/zinc/62/24/91/624622491.db2.gz IPNWASAOSJRRLV-KGLIPLIRSA-N 0 3 310.397 3.021 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000879650028 624623073 /nfs/dbraw/zinc/62/30/73/624623073.db2.gz YCXMKQYROMGCIL-QWHCGFSZSA-N 0 3 316.376 3.059 20 10 DGCDHN Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651662 624624644 /nfs/dbraw/zinc/62/46/44/624624644.db2.gz FVSABJYJMPTMMX-HOTGVXAUSA-N 0 3 315.413 3.100 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1[O-] ZINC000879650677 624624841 /nfs/dbraw/zinc/62/48/41/624624841.db2.gz NADNOHKUZIYUHJ-ZFWWWQNUSA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N(C)C1CCCCC1 ZINC000879652440 624626429 /nfs/dbraw/zinc/62/64/29/624626429.db2.gz DGYJYGCCIPXEHB-UONOGXRCSA-N 0 3 304.434 3.222 20 10 DGCDHN CC[C@]1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCOC1 ZINC000792193342 625922824 /nfs/dbraw/zinc/92/28/24/625922824.db2.gz SYMRGLKVQZIXBK-AWEZNQCLSA-N 0 3 314.223 3.122 20 10 DGCDHN CCCCN(CC(=O)N[C@H](C)C(C)C)Cc1ccccc1O ZINC000801597495 626411882 /nfs/dbraw/zinc/41/18/82/626411882.db2.gz IIIIPLGXJMDNLA-OAHLLOKOSA-N 0 3 306.450 3.155 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c1[O-] ZINC000883277395 626634505 /nfs/dbraw/zinc/63/45/05/626634505.db2.gz ZCELEYLOQUSEHV-OCCSQVGLSA-N 0 3 323.820 3.449 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c1[O-] ZINC000808673799 626847989 /nfs/dbraw/zinc/84/79/89/626847989.db2.gz UMSLWJOIEUTADU-LLVKDONJSA-N 0 3 322.792 3.028 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCc2cnn(C)c2)c1[O-] ZINC000808689791 626849488 /nfs/dbraw/zinc/84/94/88/626849488.db2.gz GGRBWTLAXMYLAZ-LBPRGKRZSA-N 0 3 307.825 3.371 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1[O-] ZINC000808694052 626850084 /nfs/dbraw/zinc/85/00/84/626850084.db2.gz ZGSYAGLNRKKFDK-DOMZBBRYSA-N 0 3 308.853 3.489 20 10 DGCDHN CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699075 626851223 /nfs/dbraw/zinc/85/12/23/626851223.db2.gz RUPPEZVXRMFNNO-CMPLNLGQSA-N 0 3 303.855 3.119 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1[O-] ZINC000808707575 626851704 /nfs/dbraw/zinc/85/17/04/626851704.db2.gz SMDFLTISALHWKH-FZMZJTMJSA-N 0 3 310.825 3.014 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c1[O-] ZINC000808705798 626851899 /nfs/dbraw/zinc/85/18/99/626851899.db2.gz SGDIMIPNCAKWAV-LLVKDONJSA-N 0 3 310.825 3.063 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNC(=O)C(C)C)c1[O-] ZINC000808709808 626852626 /nfs/dbraw/zinc/85/26/26/626852626.db2.gz ZPZFPULYGAQLLX-GFCCVEGCSA-N 0 3 312.841 3.167 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CCOc1cccc(Br)c1 ZINC000134229405 626865383 /nfs/dbraw/zinc/86/53/83/626865383.db2.gz XKWCUTAQIQZEPC-UHFFFAOYSA-N 0 3 322.202 3.323 20 10 DGCDHN c1ccc(CN2CCc3cc(CN4CCCOCC4)ccc32)cc1 ZINC000809550972 626919144 /nfs/dbraw/zinc/91/91/44/626919144.db2.gz YMXQHBHFDKAQCZ-UHFFFAOYSA-N 0 3 322.452 3.472 20 10 DGCDHN CC(C)(CO)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000809656264 626934132 /nfs/dbraw/zinc/93/41/32/626934132.db2.gz YYBQPGJVSNXDRH-KRWDZBQOSA-N 0 3 303.377 3.381 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000809712835 626940018 /nfs/dbraw/zinc/94/00/18/626940018.db2.gz VNNBAWAVGJYCHR-UHFFFAOYSA-N 0 3 318.367 3.383 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000809712835 626940020 /nfs/dbraw/zinc/94/00/20/626940020.db2.gz VNNBAWAVGJYCHR-UHFFFAOYSA-N 0 3 318.367 3.383 20 10 DGCDHN CO[C@@H](C)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809717379 626940576 /nfs/dbraw/zinc/94/05/76/626940576.db2.gz GYZXLMUPQHAQIT-HNNXBMFYSA-N 0 3 315.413 3.438 20 10 DGCDHN CO[C@@H](C)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809717379 626940579 /nfs/dbraw/zinc/94/05/79/626940579.db2.gz GYZXLMUPQHAQIT-HNNXBMFYSA-N 0 3 315.413 3.438 20 10 DGCDHN COc1cccc(CNCc2ccnn2-c2ccccc2C)c1O ZINC000809740028 626944397 /nfs/dbraw/zinc/94/43/97/626944397.db2.gz YKJKPNLMOKQPJV-UHFFFAOYSA-N 0 3 323.396 3.185 20 10 DGCDHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809767489 626949590 /nfs/dbraw/zinc/94/95/90/626949590.db2.gz MTDJHSJZKAGEMF-BXUZGUMPSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809767489 626949595 /nfs/dbraw/zinc/94/95/95/626949595.db2.gz MTDJHSJZKAGEMF-BXUZGUMPSA-N 0 3 312.816 3.101 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000809793885 626955112 /nfs/dbraw/zinc/95/51/12/626955112.db2.gz QTERKOLUPVYPFX-UHFFFAOYSA-N 0 3 311.360 3.066 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1[O-] ZINC000810254767 626993398 /nfs/dbraw/zinc/99/33/98/626993398.db2.gz RATAAMQJJXUWJW-YPMHNXCESA-N 0 3 305.809 3.367 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Cl)ccc1[O-] ZINC000810254767 626993401 /nfs/dbraw/zinc/99/34/01/626993401.db2.gz RATAAMQJJXUWJW-YPMHNXCESA-N 0 3 305.809 3.367 20 10 DGCDHN C[C@H](N[C@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000886513149 627155530 /nfs/dbraw/zinc/15/55/30/627155530.db2.gz VHPZPYJLJWCSHK-KXBFYZLASA-N 0 3 323.440 3.256 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1)c1ccccc1[O-] ZINC000886764389 627201552 /nfs/dbraw/zinc/20/15/52/627201552.db2.gz RSPIALFMEBVIAU-ILXVDBEPSA-N 0 3 305.418 3.160 20 10 DGCDHN COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)[C@@H]1CCCOC1 ZINC000886788740 627204534 /nfs/dbraw/zinc/20/45/34/627204534.db2.gz HZJJHGJHRATDOQ-MXYBEHONSA-N 0 3 323.408 3.111 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512829 627284802 /nfs/dbraw/zinc/28/48/02/627284802.db2.gz LMDXVNLNMBBBDR-QGZVFWFLSA-N 0 3 312.388 3.168 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512829 627284806 /nfs/dbraw/zinc/28/48/06/627284806.db2.gz LMDXVNLNMBBBDR-QGZVFWFLSA-N 0 3 312.388 3.168 20 10 DGCDHN COc1cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811777271 627320863 /nfs/dbraw/zinc/32/08/63/627320863.db2.gz IGVCSWNYWUGYPI-DOTOQJQBSA-N 0 3 305.418 3.099 20 10 DGCDHN CN(C)c1ccc(CNCc2ccc3cnn(C)c3c2)cc1F ZINC000812772651 627418531 /nfs/dbraw/zinc/41/85/31/627418531.db2.gz YIYVHLOGRNWSHK-UHFFFAOYSA-N 0 3 312.392 3.068 20 10 DGCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C(=O)N(C)C)cc1 ZINC000813857694 627516432 /nfs/dbraw/zinc/51/64/32/627516432.db2.gz YOJRJGJLWNDOJN-CQSZACIVSA-N 0 3 324.424 3.174 20 10 DGCDHN CN1C[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])[C@H]2C1 ZINC000814172899 627546574 /nfs/dbraw/zinc/54/65/74/627546574.db2.gz CUFPUAUJNNVWDJ-MJGOQNOKSA-N 0 3 308.425 3.195 20 10 DGCDHN CN1C[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])[C@H]2C1 ZINC000814172899 627546577 /nfs/dbraw/zinc/54/65/77/627546577.db2.gz CUFPUAUJNNVWDJ-MJGOQNOKSA-N 0 3 308.425 3.195 20 10 DGCDHN C[C@H](NCc1cnn(CC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000814296471 627557537 /nfs/dbraw/zinc/55/75/37/627557537.db2.gz BQAVUZOPUMBZJR-LBPRGKRZSA-N 0 3 308.376 3.065 20 10 DGCDHN Cc1cc(CN[C@@H](CCO)c2cccs2)ccc1N(C)C ZINC000815088109 627624630 /nfs/dbraw/zinc/62/46/30/627624630.db2.gz AVILJYFVYHSFSC-HNNXBMFYSA-N 0 3 304.459 3.336 20 10 DGCDHN Cc1cc(CN[C@H](CCO)c2cccs2)ccc1N(C)C ZINC000815088110 627625272 /nfs/dbraw/zinc/62/52/72/627625272.db2.gz AVILJYFVYHSFSC-OAHLLOKOSA-N 0 3 304.459 3.336 20 10 DGCDHN COc1ccc(CC[NH2+]Cc2ccccc2[O-])c(Cl)c1OC ZINC000815145513 627636644 /nfs/dbraw/zinc/63/66/44/627636644.db2.gz XCPXEGJTIVVYNW-UHFFFAOYSA-N 0 3 321.804 3.395 20 10 DGCDHN C[C@@H](c1ccc(N(C)C)cc1)N1CCOc2ccc(N)cc2C1 ZINC000925750950 627787196 /nfs/dbraw/zinc/78/71/96/627787196.db2.gz WRULUKPAGMEMSG-AWEZNQCLSA-N 0 3 311.429 3.290 20 10 DGCDHN C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]21 ZINC000816521529 627801180 /nfs/dbraw/zinc/80/11/80/627801180.db2.gz ROVSMCVWMRVMPK-IAQYHMDHSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CCC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]21 ZINC000816521529 627801183 /nfs/dbraw/zinc/80/11/83/627801183.db2.gz ROVSMCVWMRVMPK-IAQYHMDHSA-N 0 3 312.816 3.101 20 10 DGCDHN CC(C)N1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816548365 627806184 /nfs/dbraw/zinc/80/61/84/627806184.db2.gz FLWQCTCVCVGBEW-GFCCVEGCSA-N 0 3 314.832 3.395 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c(OC)n1 ZINC000816616488 627815333 /nfs/dbraw/zinc/81/53/33/627815333.db2.gz YDZXADDTXKQNSH-UHFFFAOYSA-N 0 3 324.380 3.247 20 10 DGCDHN CN1CCC[C@@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)C1 ZINC000816642239 627818659 /nfs/dbraw/zinc/81/86/59/627818659.db2.gz ULGJZPMZZLYIGS-HXUWFJFHSA-N 0 3 310.441 3.463 20 10 DGCDHN CN1CCC[C@@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)C1 ZINC000816642239 627818664 /nfs/dbraw/zinc/81/86/64/627818664.db2.gz ULGJZPMZZLYIGS-HXUWFJFHSA-N 0 3 310.441 3.463 20 10 DGCDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC000817412428 627895925 /nfs/dbraw/zinc/89/59/25/627895925.db2.gz KYLFNLAHHLOWRH-UKRRQHHQSA-N 0 3 305.418 3.334 20 10 DGCDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC000817412428 627895928 /nfs/dbraw/zinc/89/59/28/627895928.db2.gz KYLFNLAHHLOWRH-UKRRQHHQSA-N 0 3 305.418 3.334 20 10 DGCDHN CCCN(CCC)c1ccc(CN2CC[C@H](NC(C)=O)C2)cc1 ZINC000817413104 627896519 /nfs/dbraw/zinc/89/65/19/627896519.db2.gz UBLBPXSPHPXGCO-SFHVURJKSA-N 0 3 317.477 3.023 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817941892 627968323 /nfs/dbraw/zinc/96/83/23/627968323.db2.gz SVYIAVYWXXFMHL-DGCLKSJQSA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000817954046 627973230 /nfs/dbraw/zinc/97/32/30/627973230.db2.gz AQXNPEUONVZDKW-DFBGVHRSSA-N 0 3 300.377 3.369 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c([O-])c1 ZINC000926922774 627981943 /nfs/dbraw/zinc/98/19/43/627981943.db2.gz SFDWUDLWGSODCC-CHWSQXEVSA-N 0 3 316.367 3.378 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCCCNC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983695 627983182 /nfs/dbraw/zinc/98/31/82/627983182.db2.gz IHXVKPAZGJUPPT-WDEREUQCSA-N 0 3 302.340 3.204 20 10 DGCDHN C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983695 627983188 /nfs/dbraw/zinc/98/31/88/627983188.db2.gz IHXVKPAZGJUPPT-WDEREUQCSA-N 0 3 302.340 3.204 20 10 DGCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2)n1 ZINC000927046738 628002450 /nfs/dbraw/zinc/00/24/50/628002450.db2.gz BJYKZSYCEGCEQA-NQBHXWOUSA-N 0 3 319.380 3.464 20 10 DGCDHN CO[C@@H](CN(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000822740919 628487591 /nfs/dbraw/zinc/48/75/91/628487591.db2.gz UZPSPELZTWEMOH-SFHVURJKSA-N 0 3 301.386 3.412 20 10 DGCDHN CO[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1[O-])C1CC1 ZINC000822740919 628487594 /nfs/dbraw/zinc/48/75/94/628487594.db2.gz UZPSPELZTWEMOH-SFHVURJKSA-N 0 3 301.386 3.412 20 10 DGCDHN CO[C@@H](C[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C1CC1 ZINC000822740919 628487596 /nfs/dbraw/zinc/48/75/96/628487596.db2.gz UZPSPELZTWEMOH-SFHVURJKSA-N 0 3 301.386 3.412 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824696311 628684911 /nfs/dbraw/zinc/68/49/11/628684911.db2.gz KXJURFRMTFENJT-BRWVUGGUSA-N 0 3 319.445 3.306 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824696311 628684912 /nfs/dbraw/zinc/68/49/12/628684912.db2.gz KXJURFRMTFENJT-BRWVUGGUSA-N 0 3 319.445 3.306 20 10 DGCDHN CC(C)n1cc(C2=CCC[N@H+](Cc3ccccc3[O-])CC2)nn1 ZINC000824738611 628688339 /nfs/dbraw/zinc/68/83/39/628688339.db2.gz OVQDHLIYNJDERW-UHFFFAOYSA-N 0 3 312.417 3.244 20 10 DGCDHN CC(C)n1cc(C2=CCC[N@@H+](Cc3ccccc3[O-])CC2)nn1 ZINC000824738611 628688340 /nfs/dbraw/zinc/68/83/40/628688340.db2.gz OVQDHLIYNJDERW-UHFFFAOYSA-N 0 3 312.417 3.244 20 10 DGCDHN Cc1csc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000824750784 628689523 /nfs/dbraw/zinc/68/95/23/628689523.db2.gz OPVXCZRCXQDNLH-UHFFFAOYSA-N 0 3 320.433 3.322 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1cnn2c1CCC2)C1CCCC1 ZINC000824778272 628692844 /nfs/dbraw/zinc/69/28/44/628692844.db2.gz RGDCNBTXVAWVPN-UHFFFAOYSA-N 0 3 311.429 3.480 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1cnn2c1CCC2)C1CCCC1 ZINC000824778272 628692845 /nfs/dbraw/zinc/69/28/45/628692845.db2.gz RGDCNBTXVAWVPN-UHFFFAOYSA-N 0 3 311.429 3.480 20 10 DGCDHN CC[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccccc1[O-] ZINC000824790487 628693933 /nfs/dbraw/zinc/69/39/33/628693933.db2.gz VSRQKPIPVDOJOS-INIZCTEOSA-N 0 3 319.426 3.037 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000824798370 628694608 /nfs/dbraw/zinc/69/46/08/628694608.db2.gz DBCAGJYTHCWSRT-KBXCAEBGSA-N 0 3 307.434 3.332 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c([O-])c1 ZINC000824845368 628699172 /nfs/dbraw/zinc/69/91/72/628699172.db2.gz KFDCQLAXCQJSRU-WMZOPIPTSA-N 0 3 309.450 3.170 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2COC(C)(C)C2)c1[O-] ZINC000826796055 628888402 /nfs/dbraw/zinc/88/84/02/628888402.db2.gz GPHAZIOXQBCVHJ-LBPRGKRZSA-N 0 3 314.223 3.120 20 10 DGCDHN CCOc1ccc(C[NH+]2CC(COC)(C3CCC3)C2)c([O-])c1 ZINC000827011237 628912675 /nfs/dbraw/zinc/91/26/75/628912675.db2.gz GRBMNPDHHDBJIK-UHFFFAOYSA-N 0 3 305.418 3.039 20 10 DGCDHN Cc1cccc(CNCc2cccc3c2OC(F)(F)O3)c1O ZINC000827757562 628988973 /nfs/dbraw/zinc/98/89/73/628988973.db2.gz DXRIVNUPNHXUIY-UHFFFAOYSA-N 0 3 307.296 3.312 20 10 DGCDHN C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1O ZINC000827978023 629010585 /nfs/dbraw/zinc/01/05/85/629010585.db2.gz GOSGLJBSPCLFMA-HNNXBMFYSA-N 0 3 324.424 3.479 20 10 DGCDHN c1[nH]nc2c1CN(Cc1ccc(N3CCCCC3)cc1)CCC2 ZINC000828013733 629013996 /nfs/dbraw/zinc/01/39/96/629013996.db2.gz IVKAOBCBZGKBSD-UHFFFAOYSA-N 0 3 310.445 3.348 20 10 DGCDHN COc1cccc(O[C@@H](C)C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834602819 629738793 /nfs/dbraw/zinc/73/87/93/629738793.db2.gz VDAVMMYTIMYCQM-SUMWQHHRSA-N 0 3 313.397 3.445 20 10 DGCDHN CN(C)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)Cc2ccccc2C1 ZINC000834602080 629739193 /nfs/dbraw/zinc/73/91/93/629739193.db2.gz ISLDIVLSSROHDG-SFHVURJKSA-N 0 3 322.452 3.068 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOc1ccc(F)cc1F)CC2 ZINC000834617406 629740502 /nfs/dbraw/zinc/74/05/02/629740502.db2.gz YDDZCKFANXALHR-CQSZACIVSA-N 0 3 305.324 3.326 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C(=O)N1c1ccccc1 ZINC000834674003 629754463 /nfs/dbraw/zinc/75/44/63/629754463.db2.gz ZRYXPKHPKLVGLQ-COXVUDFISA-N 0 3 322.408 3.163 20 10 DGCDHN CN1CCN(c2ccc(N[C@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000834740874 629771968 /nfs/dbraw/zinc/77/19/68/629771968.db2.gz ABWXREJQOKOMNM-SFHVURJKSA-N 0 3 323.440 3.243 20 10 DGCDHN CO[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])Cc1ccccc1 ZINC000834857055 629791598 /nfs/dbraw/zinc/79/15/98/629791598.db2.gz YLDBOEYZJBXBFF-XJKSGUPXSA-N 0 3 303.377 3.440 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c([O-])c1 ZINC000834899396 629802107 /nfs/dbraw/zinc/80/21/07/629802107.db2.gz PRFQABIWEDXVNR-IYOUNJFTSA-N 0 3 315.417 3.005 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000834910960 629806761 /nfs/dbraw/zinc/80/67/61/629806761.db2.gz HADDUTGDVOWPSY-JJRVBVJISA-N 0 3 315.417 3.005 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000834914552 629807429 /nfs/dbraw/zinc/80/74/29/629807429.db2.gz NPSBBVOZUPXANK-NJZAAPMLSA-N 0 3 322.836 3.158 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c([O-])c1 ZINC000835066153 629842891 /nfs/dbraw/zinc/84/28/91/629842891.db2.gz OYJGIMISDOEXGO-SFHVURJKSA-N 0 3 321.461 3.458 20 10 DGCDHN CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000835070482 629843445 /nfs/dbraw/zinc/84/34/45/629843445.db2.gz OMGRUZQYOZERPP-QGZVFWFLSA-N 0 3 309.381 3.085 20 10 DGCDHN CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000835070482 629843450 /nfs/dbraw/zinc/84/34/50/629843450.db2.gz OMGRUZQYOZERPP-QGZVFWFLSA-N 0 3 309.381 3.085 20 10 DGCDHN CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000840847001 630366356 /nfs/dbraw/zinc/36/63/56/630366356.db2.gz JJPPOABPCZEPQH-LSKLOWJMSA-N 0 3 301.361 3.494 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@H](CCO)c1cccs1 ZINC000840934122 630380074 /nfs/dbraw/zinc/38/00/74/630380074.db2.gz MJIAMMLWKVAYRH-MRXNPFEDSA-N 0 3 304.459 3.336 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@]1(CO)CCCc2ccccc21 ZINC000840942428 630382030 /nfs/dbraw/zinc/38/20/30/630382030.db2.gz MTUXLUMEPCKQJK-NRFANRHFSA-N 0 3 324.468 3.375 20 10 DGCDHN CN(C)c1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000840958231 630384762 /nfs/dbraw/zinc/38/47/62/630384762.db2.gz OAZWMDABKJDGAZ-VQIMIIECSA-N 0 3 314.404 3.200 20 10 DGCDHN CN(C)c1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1F ZINC000840958226 630385483 /nfs/dbraw/zinc/38/54/83/630385483.db2.gz OAZWMDABKJDGAZ-LPHOPBHVSA-N 0 3 314.404 3.200 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c([O-])c1 ZINC000840970406 630388703 /nfs/dbraw/zinc/38/87/03/630388703.db2.gz QEFAMXDNXSATGG-GOSISDBHSA-N 0 3 319.445 3.428 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c([O-])c1 ZINC000840970406 630388706 /nfs/dbraw/zinc/38/87/06/630388706.db2.gz QEFAMXDNXSATGG-GOSISDBHSA-N 0 3 319.445 3.428 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cc(F)ncc1F ZINC000840975083 630389408 /nfs/dbraw/zinc/38/94/08/630389408.db2.gz CNTROTOYMAALSA-ZDUSSCGKSA-N 0 3 319.399 3.455 20 10 DGCDHN NC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCCCC1 ZINC000841044138 630401198 /nfs/dbraw/zinc/40/11/98/630401198.db2.gz WPABQWJUIRLGPI-UHFFFAOYSA-N 0 3 300.805 3.326 20 10 DGCDHN CCn1cncc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000841864595 630472297 /nfs/dbraw/zinc/47/22/97/630472297.db2.gz ZXLWJZQOBRUCLY-UHFFFAOYSA-N 0 3 312.461 3.429 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000842622194 630555353 /nfs/dbraw/zinc/55/53/53/630555353.db2.gz GRHZKRQZAWMPNS-SFHVURJKSA-N 0 3 315.438 3.253 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000842622194 630555357 /nfs/dbraw/zinc/55/53/57/630555357.db2.gz GRHZKRQZAWMPNS-SFHVURJKSA-N 0 3 315.438 3.253 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)c2c1c(F)ccc2[O-] ZINC000842894849 630591542 /nfs/dbraw/zinc/59/15/42/630591542.db2.gz IRCKGJAZZSZERU-XHDPSFHLSA-N 0 3 301.361 3.362 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000843415906 630654484 /nfs/dbraw/zinc/65/44/84/630654484.db2.gz FAHHJNPLMLMLKX-CVEARBPZSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000843415906 630654486 /nfs/dbraw/zinc/65/44/86/630654486.db2.gz FAHHJNPLMLMLKX-CVEARBPZSA-N 0 3 305.418 3.182 20 10 DGCDHN CC[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccccc1[O-] ZINC000846012372 631205928 /nfs/dbraw/zinc/20/59/28/631205928.db2.gz YXGTUBBNQRGTIN-AZUAARDMSA-N 0 3 311.425 3.309 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016163 631206283 /nfs/dbraw/zinc/20/62/83/631206283.db2.gz TZPWERQDXJFYTC-UHFFFAOYSA-N 0 3 307.262 3.398 20 10 DGCDHN Oc1ccc(F)cc1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016163 631206284 /nfs/dbraw/zinc/20/62/84/631206284.db2.gz TZPWERQDXJFYTC-UHFFFAOYSA-N 0 3 307.262 3.398 20 10 DGCDHN COc1ccc(OC)c(CN[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846135266 631211357 /nfs/dbraw/zinc/21/13/57/631211357.db2.gz BKOKFLPTZJGCGA-LBPRGKRZSA-N 0 3 317.385 3.269 20 10 DGCDHN COc1cccc([C@@H](C)NCc2cccnc2OC(C)C)c1O ZINC000846140370 631211538 /nfs/dbraw/zinc/21/15/38/631211538.db2.gz PMBQBMHMJGUPBJ-CYBMUJFWSA-N 0 3 316.401 3.434 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)ccc1[O-] ZINC000846199979 631214655 /nfs/dbraw/zinc/21/46/55/631214655.db2.gz CWXFBLWNFOGIMB-DWQUBVKVSA-N 0 3 316.376 3.497 20 10 DGCDHN CCOC(CN(CC)Cc1ccc(N(C)C)c(C)c1)OCC ZINC000846976694 631372095 /nfs/dbraw/zinc/37/20/95/631372095.db2.gz RBWRXVPJNSSESY-UHFFFAOYSA-N 0 3 308.466 3.282 20 10 DGCDHN CN(C)c1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848516913 631672794 /nfs/dbraw/zinc/67/27/94/631672794.db2.gz FVNLPYOCYZBUOD-KRWDZBQOSA-N 0 3 311.385 3.438 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2cccc(C)c2OC)c([O-])c1 ZINC000848565667 631694677 /nfs/dbraw/zinc/69/46/77/631694677.db2.gz ZEBWKXJDSCQRQM-UHFFFAOYSA-N 0 3 301.386 3.398 20 10 DGCDHN CCc1cccc(CN2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000848882811 631769170 /nfs/dbraw/zinc/76/91/70/631769170.db2.gz BVQZWPJUCUAMBK-UHFFFAOYSA-N 0 3 324.424 3.471 20 10 DGCDHN CCc1cccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000848901458 631779278 /nfs/dbraw/zinc/77/92/78/631779278.db2.gz SQBWVVFDTQBQFI-HTAPYJJXSA-N 0 3 317.454 3.164 20 10 DGCDHN CCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000848915832 631785367 /nfs/dbraw/zinc/78/53/67/631785367.db2.gz MKJKXHXPXCVEFO-KURKYZTESA-N 0 3 303.446 3.470 20 10 DGCDHN CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000848915832 631785372 /nfs/dbraw/zinc/78/53/72/631785372.db2.gz MKJKXHXPXCVEFO-KURKYZTESA-N 0 3 303.446 3.470 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccccn2)c1[O-] ZINC000848925705 631789857 /nfs/dbraw/zinc/78/98/57/631789857.db2.gz DEKUJYKWNFHEOX-LLVKDONJSA-N 0 3 306.793 3.170 20 10 DGCDHN CC1CCN(c2ccc(CNCc3cnn4c3CCC4)cc2)CC1 ZINC000850128392 632062273 /nfs/dbraw/zinc/06/22/73/632062273.db2.gz ATIIMLZATUZKNT-UHFFFAOYSA-N 0 3 324.472 3.355 20 10 DGCDHN Cc1nc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)[nH]c1C ZINC000850326753 632114248 /nfs/dbraw/zinc/11/42/48/632114248.db2.gz CRKPTSDXWDTHRL-CYBMUJFWSA-N 0 3 300.450 3.122 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)CN2CCC(C)CC2)c([O-])c1 ZINC000850387549 632135908 /nfs/dbraw/zinc/13/59/08/632135908.db2.gz UNUXTYBGJMMMTO-HNNXBMFYSA-N 0 3 306.450 3.001 20 10 DGCDHN COC[C@@H](CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])OC ZINC000850487201 632167502 /nfs/dbraw/zinc/16/75/02/632167502.db2.gz YEUPBCKESMVKQG-WCQYABFASA-N 0 3 301.814 3.056 20 10 DGCDHN COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C1CCOCC1 ZINC000850493427 632170744 /nfs/dbraw/zinc/17/07/44/632170744.db2.gz HLZZILOLODHXAZ-GLQYFDAESA-N 0 3 323.408 3.111 20 10 DGCDHN CC[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1[O-] ZINC000850502420 632173450 /nfs/dbraw/zinc/17/34/50/632173450.db2.gz WCHIOVIJVMMJHY-HOTGVXAUSA-N 0 3 310.397 3.021 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000850541152 632187379 /nfs/dbraw/zinc/18/73/79/632187379.db2.gz SMIQWOOIPHODIF-LESCRADOSA-N 0 3 313.445 3.496 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c([O-])c1 ZINC000850561035 632194451 /nfs/dbraw/zinc/19/44/51/632194451.db2.gz HMUCOPNKYJXVOA-KXBFYZLASA-N 0 3 321.461 3.227 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c1 ZINC000850574403 632199102 /nfs/dbraw/zinc/19/91/02/632199102.db2.gz YAAXAYZKLKWNNW-CQSZACIVSA-N 0 3 304.434 3.177 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000850583521 632202090 /nfs/dbraw/zinc/20/20/90/632202090.db2.gz OLSNBFBEGRYOCI-RFAUZJTJSA-N 0 3 311.303 3.194 20 10 DGCDHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CCC1 ZINC000851840423 632506869 /nfs/dbraw/zinc/50/68/69/632506869.db2.gz GPXVWIZPXBQFAS-IEBWSBKVSA-N 0 3 319.445 3.188 20 10 DGCDHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CCC1 ZINC000851840423 632506873 /nfs/dbraw/zinc/50/68/73/632506873.db2.gz GPXVWIZPXBQFAS-IEBWSBKVSA-N 0 3 319.445 3.188 20 10 DGCDHN C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(F)ccc1[O-] ZINC000184896975 660194332 /nfs/dbraw/zinc/19/43/32/660194332.db2.gz HHXLFUWSPNBTMZ-NSHDSACASA-N 0 3 303.333 3.153 20 10 DGCDHN COc1ccc(OC)c(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185186718 660206805 /nfs/dbraw/zinc/20/68/05/660206805.db2.gz SJBBCTSBIVYWIQ-GFCCVEGCSA-N 0 3 319.376 3.442 20 10 DGCDHN C[C@@H]([NH2+]CCCCNc1ccccn1)c1cc(F)ccc1[O-] ZINC000185325989 660216040 /nfs/dbraw/zinc/21/60/40/660216040.db2.gz SPNUXJLRXUXGCH-CYBMUJFWSA-N 0 3 303.381 3.469 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](c1ccccc1)N(C)C ZINC000186457421 660443443 /nfs/dbraw/zinc/44/34/43/660443443.db2.gz WESWTOPVHCWSRG-FZKQIMNGSA-N 0 3 302.393 3.312 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000792980433 660998420 /nfs/dbraw/zinc/99/84/20/660998420.db2.gz RBUFSJQZPVDLPM-AWEZNQCLSA-N 0 3 312.816 3.102 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000792980436 660998550 /nfs/dbraw/zinc/99/85/50/660998550.db2.gz RBUFSJQZPVDLPM-CQSZACIVSA-N 0 3 312.816 3.102 20 10 DGCDHN CC[C@@]1(O)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793091738 661004453 /nfs/dbraw/zinc/00/44/53/661004453.db2.gz DXLMMBMUHZVHEX-OAHLLOKOSA-N 0 3 316.367 3.118 20 10 DGCDHN COc1ccc(CNCc2cnc(-c3ccccc3)nc2)c(O)c1 ZINC000793388532 661029058 /nfs/dbraw/zinc/02/90/58/661029058.db2.gz PGJHPVCBRJVQJP-UHFFFAOYSA-N 0 3 321.380 3.148 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)nc2)c([O-])c1 ZINC000793388532 661029061 /nfs/dbraw/zinc/02/90/61/661029061.db2.gz PGJHPVCBRJVQJP-UHFFFAOYSA-N 0 3 321.380 3.148 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1[O-] ZINC000794791930 661105200 /nfs/dbraw/zinc/10/52/00/661105200.db2.gz CQBMMUKKBFGFRA-WMZOPIPTSA-N 0 3 320.477 3.098 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000794817806 661107066 /nfs/dbraw/zinc/10/70/66/661107066.db2.gz RATNKTMYFSUKPP-DZGCQCFKSA-N 0 3 304.434 3.141 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](CC(=O)NC)c1ccccc1)c1ccccc1[O-] ZINC000795849703 661175731 /nfs/dbraw/zinc/17/57/31/661175731.db2.gz QCSJXJNRQWSBJS-SJORKVTESA-N 0 3 312.413 3.310 20 10 DGCDHN C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000309696837 655876209 /nfs/dbraw/zinc/87/62/09/655876209.db2.gz DSSPEYWAPNZCCC-CRAIPNDOSA-N 0 3 310.441 3.490 20 10 DGCDHN CC[C@H]([NH2+]CCn1cc(Br)cn1)c1ccccc1[O-] ZINC000311826370 656016109 /nfs/dbraw/zinc/01/61/09/656016109.db2.gz RGAXIKVZWLSYIK-ZDUSSCGKSA-N 0 3 324.222 3.092 20 10 DGCDHN C[C@H]([NH2+]CCCCNc1ccccn1)c1cc(F)ccc1[O-] ZINC000185325973 656125559 /nfs/dbraw/zinc/12/55/59/656125559.db2.gz SPNUXJLRXUXGCH-ZDUSSCGKSA-N 0 3 303.381 3.469 20 10 DGCDHN COc1cc(C)cc(CN2CCN(c3ccccc3)CC2)c1O ZINC000125197603 656268732 /nfs/dbraw/zinc/26/87/32/656268732.db2.gz CDLUKXNBHXSLLW-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000228792495 656858025 /nfs/dbraw/zinc/85/80/25/656858025.db2.gz MTXOBJCILKRUEW-CYBMUJFWSA-N 0 3 320.433 3.442 20 10 DGCDHN COc1cccc(CNCc2ccccc2OC(C)C)c1O ZINC000237224720 657386452 /nfs/dbraw/zinc/38/64/52/657386452.db2.gz XIEMMYGVLYXLNV-UHFFFAOYSA-N 0 3 301.386 3.478 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000303268030 657526117 /nfs/dbraw/zinc/52/61/17/657526117.db2.gz FVYOKSWSBHEVBD-WMLDXEAASA-N 0 3 314.404 3.456 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCOc2ccccc2)c1[O-] ZINC000228669520 658000319 /nfs/dbraw/zinc/00/03/19/658000319.db2.gz DZNVRIFVINSMBJ-UHFFFAOYSA-N 0 3 307.777 3.223 20 10 DGCDHN Oc1cc2c(cc1CN(Cc1cccc(F)c1)C1CC1)OCO2 ZINC000058529750 659086708 /nfs/dbraw/zinc/08/67/08/659086708.db2.gz NEQGSSYKDJWTDE-UHFFFAOYSA-N 0 3 315.344 3.425 20 10 DGCDHN CCC[N@H+](Cc1cnc2c(c1)c(C)nn2C)Cc1ccccc1[O-] ZINC000170779377 659236406 /nfs/dbraw/zinc/23/64/06/659236406.db2.gz WFHCGCPTUWTXEW-UHFFFAOYSA-N 0 3 324.428 3.395 20 10 DGCDHN CCC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)Cc1ccccc1[O-] ZINC000170779377 659236409 /nfs/dbraw/zinc/23/64/09/659236409.db2.gz WFHCGCPTUWTXEW-UHFFFAOYSA-N 0 3 324.428 3.395 20 10 DGCDHN CCCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1ccccc1O ZINC000174372397 659429301 /nfs/dbraw/zinc/42/93/01/659429301.db2.gz SEXOQRJURNCEKB-HOTGVXAUSA-N 0 3 318.461 3.394 20 10 DGCDHN CCCN(CC(=O)N(C)C1CCCCC1)Cc1ccccc1O ZINC000174375347 659429778 /nfs/dbraw/zinc/42/97/78/659429778.db2.gz FIVSMVVHTQLDHQ-UHFFFAOYSA-N 0 3 318.461 3.395 20 10 DGCDHN CCCN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC000075829194 659928447 /nfs/dbraw/zinc/92/84/47/659928447.db2.gz BSZIVUABQAQARJ-HOTGVXAUSA-N 0 3 318.461 3.109 20 10 DGCDHN Cn1cc(C[N@H+](C)Cc2ccccc2[O-])c(-c2ccccc2)n1 ZINC000179770670 659941169 /nfs/dbraw/zinc/94/11/69/659941169.db2.gz NZGIFIGKJCXWOR-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN Cn1cc(C[N@@H+](C)Cc2ccccc2[O-])c(-c2ccccc2)n1 ZINC000179770670 659941170 /nfs/dbraw/zinc/94/11/70/659941170.db2.gz NZGIFIGKJCXWOR-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN Cc1cccc(CN2CCN(c3ccccc3F)CC2)c1O ZINC000183461644 660115388 /nfs/dbraw/zinc/11/53/88/660115388.db2.gz KVZVXNUENODSSQ-UHFFFAOYSA-N 0 3 300.377 3.162 20 10 DGCDHN C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000183633785 660128010 /nfs/dbraw/zinc/12/80/10/660128010.db2.gz JJXAZJNFMUQFJJ-WFASDCNBSA-N 0 3 320.433 3.346 20 10 DGCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(C)C ZINC000934706122 661728166 /nfs/dbraw/zinc/72/81/66/661728166.db2.gz DNSHQHHOPTXHBO-INIZCTEOSA-N 0 3 304.434 3.004 20 10 DGCDHN COc1cc(CN2CCN(c3ccccc3)CC2)c(O)cc1C ZINC000159461836 661888767 /nfs/dbraw/zinc/88/87/67/661888767.db2.gz MONCOBFECDLXAP-UHFFFAOYSA-N 0 3 312.413 3.031 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188807602 661945976 /nfs/dbraw/zinc/94/59/76/661945976.db2.gz YNZCGZBFNFYOAI-SMDDNHRTSA-N 0 3 321.314 3.105 20 10 DGCDHN C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1[O-] ZINC000077284323 662019935 /nfs/dbraw/zinc/01/99/35/662019935.db2.gz HAALCIBMJYEFNO-UHFFFAOYSA-N 0 3 309.369 3.117 20 10 DGCDHN C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1[O-] ZINC000077284323 662019936 /nfs/dbraw/zinc/01/99/36/662019936.db2.gz HAALCIBMJYEFNO-UHFFFAOYSA-N 0 3 309.369 3.117 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c([O-])c1 ZINC000192902459 662115195 /nfs/dbraw/zinc/11/51/95/662115195.db2.gz VCDFDXVICOPTTA-CQSZACIVSA-N 0 3 313.397 3.365 20 10 DGCDHN C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000090221162 662257580 /nfs/dbraw/zinc/25/75/80/662257580.db2.gz GWJRRLXDDPKBFR-FPTDNZKUSA-N 0 3 316.470 3.341 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000378907234 685145977 /nfs/dbraw/zinc/14/59/77/685145977.db2.gz GAZNAHDHQBZJNL-UHFFFAOYSA-N 0 3 310.441 3.189 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000390409093 685201461 /nfs/dbraw/zinc/20/14/61/685201461.db2.gz DWBWNGGWGJGWSN-GOSISDBHSA-N 0 3 319.408 3.414 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCc2scnc2C)c1[O-] ZINC000391138904 685208725 /nfs/dbraw/zinc/20/87/25/685208725.db2.gz QMSAXTPKVOHIRT-UHFFFAOYSA-N 0 3 312.822 3.151 20 10 DGCDHN COc1ccc(CNC2(CNC(=O)[C@@H](C)C(C)C)CC2)cc1C ZINC001670868632 1177381735 /nfs/dbraw/zinc/38/17/35/1177381735.db2.gz SQYFHIJWXYPUJF-HNNXBMFYSA-N 0 3 318.461 3.034 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC001331056757 1178125227 /nfs/dbraw/zinc/12/52/27/1178125227.db2.gz ADQPAAQMBWRKAZ-IEBWSBKVSA-N 0 3 314.404 3.375 20 10 DGCDHN CCN1CCN(c2cccc(NCc3ccc(N)cc3)c2)CC1 ZINC001334754283 1178791771 /nfs/dbraw/zinc/79/17/71/1178791771.db2.gz OEBZIEJZOPUEFY-UHFFFAOYSA-N 0 3 310.445 3.023 20 10 DGCDHN CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccccc1[O-] ZINC001335247579 1178877542 /nfs/dbraw/zinc/87/75/42/1178877542.db2.gz YVGQVWQLOLWETA-GFCCVEGCSA-N 0 3 313.323 3.385 20 10 DGCDHN c1cc(N2CCCC2)ccc1CN1CCOCC12CCCC2 ZINC001341568680 1179030949 /nfs/dbraw/zinc/03/09/49/1179030949.db2.gz AUGMLXMQMPBMEZ-UHFFFAOYSA-N 0 3 300.446 3.432 20 10 DGCDHN c1ccn(-c2ccc(-c3nc([C@@H]4CN5CCC4CC5)no3)cc2)c1 ZINC001342544107 1179151048 /nfs/dbraw/zinc/15/10/48/1179151048.db2.gz FHTLGBRQSCCTJD-QGZVFWFLSA-N 0 3 320.396 3.337 20 10 DGCDHN C[C@H]([NH2+]Cc1cn(C)nc1-c1ccncc1)c1ccccc1[O-] ZINC001621052979 1192970556 /nfs/dbraw/zinc/97/05/56/1192970556.db2.gz WZQZTVSNTIIWLE-ZDUSSCGKSA-N 0 3 308.385 3.039 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccccc1[O-] ZINC001460635032 1182701673 /nfs/dbraw/zinc/70/16/73/1182701673.db2.gz FSVKIELDJDSVAA-LLVKDONJSA-N 0 3 304.777 3.335 20 10 DGCDHN Cc1cc(CN2CCC(C(=O)OC(C)C)CC2)ccc1N(C)C ZINC001460804344 1182724104 /nfs/dbraw/zinc/72/41/04/1182724104.db2.gz OTNBQXPUTJGBDT-UHFFFAOYSA-N 0 3 318.461 3.225 20 10 DGCDHN Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001605875566 1193181365 /nfs/dbraw/zinc/18/13/65/1193181365.db2.gz JIWKHEPMXGGZRI-ZDUSSCGKSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001605875566 1193181367 /nfs/dbraw/zinc/18/13/67/1193181367.db2.gz JIWKHEPMXGGZRI-ZDUSSCGKSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001605875566 1193181369 /nfs/dbraw/zinc/18/13/69/1193181369.db2.gz JIWKHEPMXGGZRI-ZDUSSCGKSA-N 0 3 323.400 3.074 20 10 DGCDHN Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001605875566 1193181371 /nfs/dbraw/zinc/18/13/71/1193181371.db2.gz JIWKHEPMXGGZRI-ZDUSSCGKSA-N 0 3 323.400 3.074 20 10 DGCDHN CCn1cc(CNCCc2cc(C)n(-c3ccccc3)c2C)nn1 ZINC001474227959 1183885355 /nfs/dbraw/zinc/88/53/55/1183885355.db2.gz XLWMFEWFFAAPIV-UHFFFAOYSA-N 0 3 323.444 3.038 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC001474435229 1183922345 /nfs/dbraw/zinc/92/23/45/1183922345.db2.gz BPTWHYDWBVUBFO-OLZOCXBDSA-N 0 3 324.415 3.413 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCc2ccc(F)c(F)c2)c([O-])c1 ZINC001474446704 1183923253 /nfs/dbraw/zinc/92/32/53/1183923253.db2.gz QKQMIGPSUREDIP-UHFFFAOYSA-N 0 3 307.340 3.320 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c([O-])c1 ZINC001474497815 1183931707 /nfs/dbraw/zinc/93/17/07/1183931707.db2.gz WMXFRKNGLHMGOS-JXFKEZNVSA-N 0 3 313.441 3.420 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC[C@H]2CC2(Cl)Cl)c([O-])c1 ZINC001474640904 1183954680 /nfs/dbraw/zinc/95/46/80/1183954680.db2.gz GRERQAHOCKUBOF-JTQLQIEISA-N 0 3 304.217 3.383 20 10 DGCDHN CC(C)c1ccc(O)c(CNCC(=O)N2CCc3ccccc32)c1 ZINC001474690616 1183962730 /nfs/dbraw/zinc/96/27/30/1183962730.db2.gz YKXXOGUALLAFED-UHFFFAOYSA-N 0 3 324.424 3.195 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)C2(N(C)C)CCCC2)cc1 ZINC001544580758 1188400496 /nfs/dbraw/zinc/40/04/96/1188400496.db2.gz SCGJVDHGSNNBKC-UHFFFAOYSA-N 0 3 317.477 3.023 20 10 DGCDHN COc1cc(C)c(CN2CC[C@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC001560868889 1189396564 /nfs/dbraw/zinc/39/65/64/1189396564.db2.gz QWPOWLMHJHZTBL-ZDUSSCGKSA-N 0 3 321.808 3.006 20 10 DGCDHN COc1cc(C)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC001560868888 1189397761 /nfs/dbraw/zinc/39/77/61/1189397761.db2.gz QWPOWLMHJHZTBL-CYBMUJFWSA-N 0 3 321.808 3.006 20 10 DGCDHN CCO[C@H]1C[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(C)C ZINC001621122155 1193805541 /nfs/dbraw/zinc/80/55/41/1193805541.db2.gz UCTFKECKKBKKLU-IRXDYDNUSA-N 0 3 307.434 3.345 20 10 DGCDHN CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(C)C ZINC001621122155 1193805542 /nfs/dbraw/zinc/80/55/42/1193805542.db2.gz UCTFKECKKBKKLU-IRXDYDNUSA-N 0 3 307.434 3.345 20 10 DGCDHN CCCC[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001627464617 1194130338 /nfs/dbraw/zinc/13/03/38/1194130338.db2.gz PCVZWPLLLMKOJS-MAUKXSAKSA-N 0 3 319.493 3.298 20 10 DGCDHN COC(=O)c1ccc(CN(C)Cc2ccccc2O)cc1Cl ZINC001644813797 1195135747 /nfs/dbraw/zinc/13/57/47/1195135747.db2.gz VDTMYUIHRUXPFT-UHFFFAOYSA-N 0 3 319.788 3.464 20 10 DGCDHN CN(C)c1ccc(CN2CCN(C)[C@H](Cc3ccccc3)C2)cc1 ZINC001645534802 1195192197 /nfs/dbraw/zinc/19/21/97/1195192197.db2.gz RWNQKMYVVLXIKX-OAQYLSRUSA-N 0 3 323.484 3.111 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(F)c(F)c1 ZINC001654532629 1195813773 /nfs/dbraw/zinc/81/37/73/1195813773.db2.gz YFSWHRSUDYPDIP-QWRGUYRKSA-N 0 3 320.339 3.348 20 10 DGCDHN COc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)[n-]2)cc1C ZINC001655611365 1195940395 /nfs/dbraw/zinc/94/03/95/1195940395.db2.gz HALNBAGBKOQQRU-UHFFFAOYSA-N 0 3 308.385 3.079 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@H]2CC3(CCC3)CO2)cc1F ZINC001656985906 1196089641 /nfs/dbraw/zinc/08/96/41/1196089641.db2.gz VMQOWXYXRJEJJR-CYBMUJFWSA-N 0 3 310.388 3.080 20 10 DGCDHN CCN(Cc1ccc(C)cc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC001657209450 1196119037 /nfs/dbraw/zinc/11/90/37/1196119037.db2.gz XLANJBFLLXDOGH-SFHVURJKSA-N 0 3 324.424 3.328 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCCCC[C@H]2CCO)cc1F ZINC001658093654 1196211104 /nfs/dbraw/zinc/21/11/04/1196211104.db2.gz MBNGIQMXOAZBGO-AWEZNQCLSA-N 0 3 312.404 3.158 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c([O-])c1 ZINC001658294269 1196236366 /nfs/dbraw/zinc/23/63/66/1196236366.db2.gz QKDCRKTVZFUUMH-AEFFLSMTSA-N 0 3 307.434 3.345 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c([O-])c1 ZINC001658294269 1196236370 /nfs/dbraw/zinc/23/63/70/1196236370.db2.gz QKDCRKTVZFUUMH-AEFFLSMTSA-N 0 3 307.434 3.345 20 10 DGCDHN Cc1ccc(CNCC(=O)Nc2ccc(C)cc2Cl)c(O)c1 ZINC001658394861 1196250363 /nfs/dbraw/zinc/25/03/63/1196250363.db2.gz CQIKTTMYGSWKIK-UHFFFAOYSA-N 0 3 318.804 3.391 20 10 DGCDHN COc1cc(C)c(CN[C@@H]2C[C@]2(F)c2ccccc2)c(O)c1 ZINC001658402309 1196251599 /nfs/dbraw/zinc/25/15/99/1196251599.db2.gz CYRNSODCTYOGIV-MSOLQXFVSA-N 0 3 301.361 3.436 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC001659250727 1196363585 /nfs/dbraw/zinc/36/35/85/1196363585.db2.gz VXUMDTXTKIZHPZ-RDTXWAMCSA-N 0 3 307.434 3.250 20 10 DGCDHN COCC[N@H+](Cc1c(C)cc(OC)cc1[O-])[C@@H]1CC[C@@H](C)C1 ZINC001659643912 1196401425 /nfs/dbraw/zinc/40/14/25/1196401425.db2.gz MHZOANUDCPFCNC-UKRRQHHQSA-N 0 3 307.434 3.346 20 10 DGCDHN COCC[N@@H+](Cc1c(C)cc(OC)cc1[O-])[C@@H]1CC[C@@H](C)C1 ZINC001659643912 1196401430 /nfs/dbraw/zinc/40/14/30/1196401430.db2.gz MHZOANUDCPFCNC-UKRRQHHQSA-N 0 3 307.434 3.346 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)CC2CCCC2)c1[O-] ZINC001664465368 1197002358 /nfs/dbraw/zinc/00/23/58/1197002358.db2.gz GVGLTTXBBVGBAK-AWEZNQCLSA-N 0 3 313.825 3.085 20 10 DGCDHN COc1cc(C)c(C[NH2+]C2CC3(C2)COC(C)(C)C3)c([O-])c1 ZINC001665842793 1197205483 /nfs/dbraw/zinc/20/54/83/1197205483.db2.gz XRZAEZFWZNQHHS-UHFFFAOYSA-N 0 3 305.418 3.147 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)c([O-])c1 ZINC001665926325 1197217614 /nfs/dbraw/zinc/21/76/14/1197217614.db2.gz QJQIMXDEDVOYGT-QZTJIDSGSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)c([O-])c1 ZINC001665926325 1197217619 /nfs/dbraw/zinc/21/76/19/1197217619.db2.gz QJQIMXDEDVOYGT-QZTJIDSGSA-N 0 3 305.418 3.100 20 10 DGCDHN C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593263709 994560133 /nfs/dbraw/zinc/56/01/33/994560133.db2.gz BTLOXJKBFPNNKM-AWEZNQCLSA-N 0 3 320.433 3.007 20 10 DGCDHN COC(C)(C)C[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000404326294 1082653709 /nfs/dbraw/zinc/65/37/09/1082653709.db2.gz SSWCRVJJPQEKCI-UHFFFAOYSA-N 0 3 316.239 3.320 20 10 DGCDHN COC(C)(C)C[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000404326294 1082653710 /nfs/dbraw/zinc/65/37/10/1082653710.db2.gz SSWCRVJJPQEKCI-UHFFFAOYSA-N 0 3 316.239 3.320 20 10 DGCDHN COc1cc(C)c(C[NH2+][C@H]2COc3cccc(C)c3C2)c([O-])c1 ZINC001183013029 1083855112 /nfs/dbraw/zinc/85/51/12/1083855112.db2.gz XMVQQAQVJZCVCN-CQSZACIVSA-N 0 3 313.397 3.111 20 10 DGCDHN CCCOc1ccc(CN[C@H]2C(=O)NCC2(CC)CC)cc1C ZINC001183981612 1084080861 /nfs/dbraw/zinc/08/08/61/1084080861.db2.gz OVMPQJWWDLHAIZ-KRWDZBQOSA-N 0 3 318.461 3.178 20 10 DGCDHN CCC[N@H+](CCc1ccccn1)Cc1ccc(OC)cc1[O-] ZINC001203629163 1084547095 /nfs/dbraw/zinc/54/70/95/1084547095.db2.gz RJQIQEUHHBSUHR-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN CCC[N@@H+](CCc1ccccn1)Cc1ccc(OC)cc1[O-] ZINC001203629163 1084547104 /nfs/dbraw/zinc/54/71/04/1084547104.db2.gz RJQIQEUHHBSUHR-UHFFFAOYSA-N 0 3 300.402 3.251 20 10 DGCDHN CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272619352 1088325833 /nfs/dbraw/zinc/32/58/33/1088325833.db2.gz VBMAPABMYPHLPN-HNAYVOBHSA-N 0 3 316.445 3.148 20 10 DGCDHN CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272619352 1088325856 /nfs/dbraw/zinc/32/58/56/1088325856.db2.gz VBMAPABMYPHLPN-HNAYVOBHSA-N 0 3 316.445 3.148 20 10 DGCDHN CN(C)c1ccc(CN(C)c2ncccc2CN2CCCC2)cc1 ZINC001156928476 1089750341 /nfs/dbraw/zinc/75/03/41/1089750341.db2.gz QQLIWLDGBQZWMD-UHFFFAOYSA-N 0 3 324.472 3.380 20 10 DGCDHN Nc1cccc(NCc2cc(Cl)c3cccnc3c2[O-])[nH+]1 ZINC001157723793 1090088144 /nfs/dbraw/zinc/08/81/44/1090088144.db2.gz CYCQELMUUHNDED-UHFFFAOYSA-N 0 3 300.749 3.183 20 10 DGCDHN COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccccc3[O-])CCO2)cc1 ZINC001168583807 1090584440 /nfs/dbraw/zinc/58/44/40/1090584440.db2.gz KJIWOWLKIBBPOF-VQIMIIECSA-N 0 3 313.397 3.411 20 10 DGCDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2[O-])C1 ZINC001203558565 1090614144 /nfs/dbraw/zinc/61/41/44/1090614144.db2.gz MVNAEWFGALSTSK-ZFWWWQNUSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC001203558565 1090614151 /nfs/dbraw/zinc/61/41/51/1090614151.db2.gz MVNAEWFGALSTSK-ZFWWWQNUSA-N 0 3 320.433 3.127 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001203552741 1090754445 /nfs/dbraw/zinc/75/44/45/1090754445.db2.gz RUCUVWXGQGPGRK-AYBZRNKSSA-N 0 3 301.430 3.419 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001203552741 1090754450 /nfs/dbraw/zinc/75/44/50/1090754450.db2.gz RUCUVWXGQGPGRK-AYBZRNKSSA-N 0 3 301.430 3.419 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001203556602 1090755253 /nfs/dbraw/zinc/75/52/53/1090755253.db2.gz VENXCHKLVGLCRJ-MJGOQNOKSA-N 0 3 308.425 3.099 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001203556602 1090755255 /nfs/dbraw/zinc/75/52/55/1090755255.db2.gz VENXCHKLVGLCRJ-MJGOQNOKSA-N 0 3 308.425 3.099 20 10 DGCDHN CC(C)c1noc([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203558733 1090755461 /nfs/dbraw/zinc/75/54/61/1090755461.db2.gz ZCLCVXFWPSGHSZ-CQSZACIVSA-N 0 3 301.390 3.278 20 10 DGCDHN CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203558733 1090755462 /nfs/dbraw/zinc/75/54/62/1090755462.db2.gz ZCLCVXFWPSGHSZ-CQSZACIVSA-N 0 3 301.390 3.278 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@H](C(=O)c3ccccc3)C2)cc1 ZINC001203935793 1090844618 /nfs/dbraw/zinc/84/46/18/1090844618.db2.gz DMTGXPJBTOKIBU-SFHVURJKSA-N 0 3 308.425 3.457 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC3(CCO3)CC2)c(OC)c1 ZINC001138390156 1091163443 /nfs/dbraw/zinc/16/34/43/1091163443.db2.gz OLLPYQVUZHHNRH-UHFFFAOYSA-N 0 3 318.461 3.296 20 10 DGCDHN Cc1nccn1-c1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001138548804 1091224301 /nfs/dbraw/zinc/22/43/01/1091224301.db2.gz MIRXQSIKWABZEV-UHFFFAOYSA-N 0 3 319.408 3.445 20 10 DGCDHN Cc1nccn1-c1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001138548804 1091224311 /nfs/dbraw/zinc/22/43/11/1091224311.db2.gz MIRXQSIKWABZEV-UHFFFAOYSA-N 0 3 319.408 3.445 20 10 DGCDHN CCC[C@@]1(CO)CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC001205588682 1091267758 /nfs/dbraw/zinc/26/77/58/1091267758.db2.gz BYKYMIVXIISRGV-KRWDZBQOSA-N 0 3 312.404 3.158 20 10 DGCDHN CCC[C@]1(C(=O)OCC)CCCN1Cc1ccc(C)cc1O ZINC001205589056 1091267789 /nfs/dbraw/zinc/26/77/89/1091267789.db2.gz JNTWQOBLHWIMJN-GOSISDBHSA-N 0 3 305.418 3.398 20 10 DGCDHN C[C@H]1[C@@H](C[NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001205912749 1091407527 /nfs/dbraw/zinc/40/75/27/1091407527.db2.gz BYDKIBXPMFETHV-VHSXEESVSA-N 0 3 303.233 3.258 20 10 DGCDHN N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206239077 1091545566 /nfs/dbraw/zinc/54/55/66/1091545566.db2.gz YTSFTVTWJNJEFA-HNNXBMFYSA-N 0 3 310.319 3.011 20 10 DGCDHN N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206239077 1091545577 /nfs/dbraw/zinc/54/55/77/1091545577.db2.gz YTSFTVTWJNJEFA-HNNXBMFYSA-N 0 3 310.319 3.011 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001140058945 1091751971 /nfs/dbraw/zinc/75/19/71/1091751971.db2.gz QDNNEAYPHLCGJU-UHFFFAOYSA-N 0 3 300.377 3.381 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC001140617723 1091932992 /nfs/dbraw/zinc/93/29/92/1091932992.db2.gz ZDBHIOYBXNYOKU-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccccc1CC(=O)OC ZINC001140654550 1091946841 /nfs/dbraw/zinc/94/68/41/1091946841.db2.gz PBFYWUAGLMYGOE-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1CC(=O)OC ZINC001140654550 1091946849 /nfs/dbraw/zinc/94/68/49/1091946849.db2.gz PBFYWUAGLMYGOE-UHFFFAOYSA-N 0 3 313.397 3.130 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@](O)(CF)CC2)c(Cl)c1 ZINC001140921929 1092063200 /nfs/dbraw/zinc/06/32/00/1092063200.db2.gz WFMBKTOOQVCDBL-MRXNPFEDSA-N 0 3 314.832 3.093 20 10 DGCDHN Cc1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c([O-])c1 ZINC001140949648 1092074600 /nfs/dbraw/zinc/07/46/00/1092074600.db2.gz HALBTLPYWXCEFT-UHFFFAOYSA-N 0 3 315.388 3.323 20 10 DGCDHN COC(=O)c1ccc2c(c1)CCN(Cc1ccc(C)cc1O)C2 ZINC001140947943 1092075948 /nfs/dbraw/zinc/07/59/48/1092075948.db2.gz MDIPHNJFKPBLDJ-UHFFFAOYSA-N 0 3 311.381 3.046 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c(OC)c1 ZINC001141026388 1092110736 /nfs/dbraw/zinc/11/07/36/1092110736.db2.gz OPRLJJKIPNQIAT-UHFFFAOYSA-N 0 3 315.360 3.277 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CCC(F)(F)C(C)(C)C2)c(OC)c1 ZINC001141026388 1092110743 /nfs/dbraw/zinc/11/07/43/1092110743.db2.gz OPRLJJKIPNQIAT-UHFFFAOYSA-N 0 3 315.360 3.277 20 10 DGCDHN COc1cc(O)c(CN2CCC(F)(F)C(C)(C)C2)c(OC)c1 ZINC001141026388 1092110752 /nfs/dbraw/zinc/11/07/52/1092110752.db2.gz OPRLJJKIPNQIAT-UHFFFAOYSA-N 0 3 315.360 3.277 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CCCC(F)(F)CC2)c(OC)c1 ZINC001141031455 1092113047 /nfs/dbraw/zinc/11/30/47/1092113047.db2.gz FIUWOLNFLMPSJM-UHFFFAOYSA-N 0 3 301.333 3.031 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CCCC(F)(F)CC2)c(OC)c1 ZINC001141031455 1092113051 /nfs/dbraw/zinc/11/30/51/1092113051.db2.gz FIUWOLNFLMPSJM-UHFFFAOYSA-N 0 3 301.333 3.031 20 10 DGCDHN C[C@@H]1Cc2ccccc2CN1Cc1ccc2c(c1)OCCN2C ZINC001141145708 1092150331 /nfs/dbraw/zinc/15/03/31/1092150331.db2.gz YOVOLJKZARHSQA-OAHLLOKOSA-N 0 3 308.425 3.462 20 10 DGCDHN CN1CC=C(n2c(=N)ccc(/N=N/c3ccccc3)c2N)CC1 ZINC001208741036 1092483608 /nfs/dbraw/zinc/48/36/08/1092483608.db2.gz BRPUHNIOKFHMKO-HWFPJJNUSA-N 0 3 308.389 3.142 20 10 DGCDHN CC[C@H](C[N@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC001209466474 1092787178 /nfs/dbraw/zinc/78/71/78/1092787178.db2.gz OPWGPVWCNFZDBX-CQSZACIVSA-N 0 3 308.422 3.127 20 10 DGCDHN CC[C@H](C[N@@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC001209466474 1092787189 /nfs/dbraw/zinc/78/71/89/1092787189.db2.gz OPWGPVWCNFZDBX-CQSZACIVSA-N 0 3 308.422 3.127 20 10 DGCDHN [NH3+]C[C@@H]1CCCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001206641425 1092901490 /nfs/dbraw/zinc/90/14/90/1092901490.db2.gz XDPZJTQPRLZDJR-JTQLQIEISA-N 0 3 303.233 3.260 20 10 DGCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2CCCOCC2)C1 ZINC001170828102 1094593905 /nfs/dbraw/zinc/59/39/05/1094593905.db2.gz SWGMSEIZSXAPNS-CQSZACIVSA-N 0 3 314.429 3.114 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171027361 1095154461 /nfs/dbraw/zinc/15/44/61/1095154461.db2.gz SGGSSUMEFYDUAS-CYBMUJFWSA-N 0 3 303.789 3.398 20 10 DGCDHN Oc1cc(O)c(CN2CCc3c(Cl)cccc3C2)c(O)c1 ZINC001144514947 1095700179 /nfs/dbraw/zinc/70/01/79/1095700179.db2.gz YMXZNWCNDVDVCN-UHFFFAOYSA-N 0 3 305.761 3.015 20 10 DGCDHN [O-]c1cccc(F)c1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137837813 1095758684 /nfs/dbraw/zinc/75/86/84/1095758684.db2.gz VRAMWDOLAONRPT-OAHLLOKOSA-N 0 3 306.425 3.372 20 10 DGCDHN CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001171915095 1097000966 /nfs/dbraw/zinc/00/09/66/1097000966.db2.gz GNHCNNAKSMQABB-UHFFFAOYSA-N 0 3 321.417 3.088 20 10 DGCDHN COc1ccc(N2CCN([C@H](C)CCOCC(C)C)CC2)cc1 ZINC001172468884 1097145271 /nfs/dbraw/zinc/14/52/71/1097145271.db2.gz PQEHVTSTTVTCFR-QGZVFWFLSA-N 0 3 320.477 3.268 20 10 DGCDHN [O-]c1cccc2c1C[N@@H+](C1CCC3(CCOCC3)CC1)CC2 ZINC001173051073 1097313803 /nfs/dbraw/zinc/31/38/03/1097313803.db2.gz IJCNLWKUNLQYQL-UHFFFAOYSA-N 0 3 301.430 3.490 20 10 DGCDHN [O-]c1cccc2c1C[N@H+](C1CCC3(CCOCC3)CC1)CC2 ZINC001173051073 1097313808 /nfs/dbraw/zinc/31/38/08/1097313808.db2.gz IJCNLWKUNLQYQL-UHFFFAOYSA-N 0 3 301.430 3.490 20 10 DGCDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1[O-] ZINC001173231327 1097377645 /nfs/dbraw/zinc/37/76/45/1097377645.db2.gz BFXJVLYAUTVDFE-CYBMUJFWSA-N 0 3 300.358 3.363 20 10 DGCDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC001173231327 1097377655 /nfs/dbraw/zinc/37/76/55/1097377655.db2.gz BFXJVLYAUTVDFE-CYBMUJFWSA-N 0 3 300.358 3.363 20 10 DGCDHN CCOc1ccc(N2CCN([C@@H](C)CSCC)CC2)cc1 ZINC001173315634 1097427837 /nfs/dbraw/zinc/42/78/37/1097427837.db2.gz RLGGZMYKRDPAMX-HNNXBMFYSA-N 0 3 308.491 3.349 20 10 DGCDHN COc1cc([O-])c(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC001232265338 1097987171 /nfs/dbraw/zinc/98/71/71/1097987171.db2.gz UNMJRGIYXBBLNE-AWEZNQCLSA-N 0 3 324.852 3.114 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c1[O-] ZINC001233287828 1098277299 /nfs/dbraw/zinc/27/72/99/1098277299.db2.gz JCQDULHTRRYGST-BDJLRTHQSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)c1[O-] ZINC001233287828 1098277302 /nfs/dbraw/zinc/27/73/02/1098277302.db2.gz JCQDULHTRRYGST-BDJLRTHQSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c1[O-] ZINC001233287674 1098277731 /nfs/dbraw/zinc/27/77/31/1098277731.db2.gz CASBEPOUECGWID-BDJLRTHQSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)c1[O-] ZINC001233287674 1098277739 /nfs/dbraw/zinc/27/77/39/1098277739.db2.gz CASBEPOUECGWID-BDJLRTHQSA-N 0 3 313.825 3.037 20 10 DGCDHN Oc1cc(O)c(CN2CCC[C@H]2c2ccc(F)cc2)cc1O ZINC001233483049 1098346425 /nfs/dbraw/zinc/34/64/25/1098346425.db2.gz MDXGDXFJAUKIRA-AWEZNQCLSA-N 0 3 303.333 3.280 20 10 DGCDHN COc1cccc([C@@H]2CCCN2Cc2cc(O)c(O)cc2O)c1 ZINC001233486701 1098346935 /nfs/dbraw/zinc/34/69/35/1098346935.db2.gz YKTRDQRTRUNDBS-HNNXBMFYSA-N 0 3 315.369 3.149 20 10 DGCDHN CN(C)c1ccc(CNCc2ccc(N3CCCC3)cc2)cn1 ZINC001177222784 1098497762 /nfs/dbraw/zinc/49/77/62/1098497762.db2.gz PLJQIFPFDLKMLA-UHFFFAOYSA-N 0 3 310.445 3.038 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3C(C)(C)O)c2c1 ZINC001234562176 1098602416 /nfs/dbraw/zinc/60/24/16/1098602416.db2.gz JGXBSEGNDVSACE-GOSISDBHSA-N 0 3 315.413 3.289 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3C(C)(C)O)c2c1 ZINC001234562176 1098602419 /nfs/dbraw/zinc/60/24/19/1098602419.db2.gz JGXBSEGNDVSACE-GOSISDBHSA-N 0 3 315.413 3.289 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H]3CC=C(OC)CC3)cc2)CC1 ZINC001234660970 1098636452 /nfs/dbraw/zinc/63/64/52/1098636452.db2.gz NTIDMPFNQHTUED-IBGZPJMESA-N 0 3 316.445 3.290 20 10 DGCDHN COC(=O)[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234993764 1098736176 /nfs/dbraw/zinc/73/61/76/1098736176.db2.gz AILQATDEFVCZOC-INIZCTEOSA-N 0 3 311.381 3.054 20 10 DGCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234993764 1098736179 /nfs/dbraw/zinc/73/61/79/1098736179.db2.gz AILQATDEFVCZOC-INIZCTEOSA-N 0 3 311.381 3.054 20 10 DGCDHN CN1CC2(C1)CC[N@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234997484 1098738249 /nfs/dbraw/zinc/73/82/49/1098738249.db2.gz DCLSYLPENWZPSQ-UHFFFAOYSA-N 0 3 308.425 3.197 20 10 DGCDHN CN1CC2(C1)CC[N@@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234997484 1098738258 /nfs/dbraw/zinc/73/82/58/1098738258.db2.gz DCLSYLPENWZPSQ-UHFFFAOYSA-N 0 3 308.425 3.197 20 10 DGCDHN CC(=O)N1CCN(Cc2cccc(-c3ccccc3)c2O)[C@@H](C)C1 ZINC001234999576 1098742347 /nfs/dbraw/zinc/74/23/47/1098742347.db2.gz WNDDBFCQQKTFEL-HNNXBMFYSA-N 0 3 324.424 3.112 20 10 DGCDHN CCCN1CCC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179030037 1099004832 /nfs/dbraw/zinc/00/48/32/1099004832.db2.gz XLUDTDZSMQQWFC-KRWDZBQOSA-N 0 3 312.413 3.036 20 10 DGCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1-n1cncn1 ZINC001179489342 1099115090 /nfs/dbraw/zinc/11/50/90/1099115090.db2.gz KDUKQFYWTIOMPR-CQSZACIVSA-N 0 3 308.385 3.132 20 10 DGCDHN CN1CCC[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@@H]21 ZINC001235678091 1099121747 /nfs/dbraw/zinc/12/17/47/1099121747.db2.gz ADYPRGVBONWUPI-YOEHRIQHSA-N 0 3 302.462 3.216 20 10 DGCDHN CN1CCC[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@@H]21 ZINC001235678091 1099121752 /nfs/dbraw/zinc/12/17/52/1099121752.db2.gz ADYPRGVBONWUPI-YOEHRIQHSA-N 0 3 302.462 3.216 20 10 DGCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c([O-])c1 ZINC001235685194 1099126651 /nfs/dbraw/zinc/12/66/51/1099126651.db2.gz MSGWHIYCYLQMPM-UHFFFAOYSA-N 0 3 317.429 3.361 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235847995 1099208248 /nfs/dbraw/zinc/20/82/48/1099208248.db2.gz PIWQQAPNQZQPJY-QGZVFWFLSA-N 0 3 316.832 3.062 20 10 DGCDHN Nc1ccc(CN2CCN([C@H]3CCCc4ccccc43)CC2)cc1 ZINC001236093649 1099382333 /nfs/dbraw/zinc/38/23/33/1099382333.db2.gz VUWDRIVBESVLDL-NRFANRHFSA-N 0 3 321.468 3.464 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC001236129367 1099417464 /nfs/dbraw/zinc/41/74/64/1099417464.db2.gz NULHLECFQZSQDS-INIZCTEOSA-N 0 3 320.795 3.331 20 10 DGCDHN CCCC[C@@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])CC[NH2+]1 ZINC001236135753 1099423741 /nfs/dbraw/zinc/42/37/41/1099423741.db2.gz BFODUQHCORIWCF-CYBMUJFWSA-N 0 3 312.841 3.018 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1[O-] ZINC001180592996 1099467485 /nfs/dbraw/zinc/46/74/85/1099467485.db2.gz IMXZTKCGMRYTMN-KGLIPLIRSA-N 0 3 311.809 3.101 20 10 DGCDHN COc1cc(CN2CCC[C@@H]2C)c(O)cc1Br ZINC001236744885 1099769050 /nfs/dbraw/zinc/76/90/50/1099769050.db2.gz HWYNHNZBSZBSQN-VIFPVBQESA-N 0 3 300.196 3.148 20 10 DGCDHN CCCC[N@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236746495 1099770127 /nfs/dbraw/zinc/77/01/27/1099770127.db2.gz ZJCUOOHMCDEVJQ-UHFFFAOYSA-N 0 3 302.212 3.395 20 10 DGCDHN CCCC[N@@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236746495 1099770134 /nfs/dbraw/zinc/77/01/34/1099770134.db2.gz ZJCUOOHMCDEVJQ-UHFFFAOYSA-N 0 3 302.212 3.395 20 10 DGCDHN COc1cc(C[N@@H+]2CC[C@H](C)C2)c([O-])cc1Br ZINC001236749181 1099770501 /nfs/dbraw/zinc/77/05/01/1099770501.db2.gz ZUPIRTZVGMUVAU-VIFPVBQESA-N 0 3 300.196 3.005 20 10 DGCDHN COc1cc(C[N@H+]2CC[C@H](C)C2)c([O-])cc1Br ZINC001236749181 1099770507 /nfs/dbraw/zinc/77/05/07/1099770507.db2.gz ZUPIRTZVGMUVAU-VIFPVBQESA-N 0 3 300.196 3.005 20 10 DGCDHN COc1cc(CN2CC[C@H](C)C2)c(O)cc1Br ZINC001236749181 1099770512 /nfs/dbraw/zinc/77/05/12/1099770512.db2.gz ZUPIRTZVGMUVAU-VIFPVBQESA-N 0 3 300.196 3.005 20 10 DGCDHN COc1cc(CN2CCC(C)(C)C2)c(O)cc1Br ZINC001236754718 1099771763 /nfs/dbraw/zinc/77/17/63/1099771763.db2.gz VZASTCSFSLTCQL-UHFFFAOYSA-N 0 3 314.223 3.395 20 10 DGCDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])C1CCCC1 ZINC001236775496 1099778714 /nfs/dbraw/zinc/77/87/14/1099778714.db2.gz MWWFDTLVXRGHOB-UHFFFAOYSA-N 0 3 300.196 3.235 20 10 DGCDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])C1CCCC1 ZINC001236775496 1099778720 /nfs/dbraw/zinc/77/87/20/1099778720.db2.gz MWWFDTLVXRGHOB-UHFFFAOYSA-N 0 3 300.196 3.235 20 10 DGCDHN CCc1ccc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)c([O-])c1 ZINC001236783146 1099781607 /nfs/dbraw/zinc/78/16/07/1099781607.db2.gz IIPYBHWPANNXDB-QGZVFWFLSA-N 0 3 318.461 3.035 20 10 DGCDHN CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)c([O-])c1 ZINC001236783146 1099781619 /nfs/dbraw/zinc/78/16/19/1099781619.db2.gz IIPYBHWPANNXDB-QGZVFWFLSA-N 0 3 318.461 3.035 20 10 DGCDHN CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236786292 1099782697 /nfs/dbraw/zinc/78/26/97/1099782697.db2.gz AEKCZRGDVCNNHJ-MRXNPFEDSA-N 0 3 305.418 3.120 20 10 DGCDHN CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(CC)cc2[O-])C1 ZINC001236786292 1099782704 /nfs/dbraw/zinc/78/27/04/1099782704.db2.gz AEKCZRGDVCNNHJ-MRXNPFEDSA-N 0 3 305.418 3.120 20 10 DGCDHN CCc1ccc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c([O-])c1 ZINC001236786980 1099783216 /nfs/dbraw/zinc/78/32/16/1099783216.db2.gz UBOWGAHTCVEZMU-UHFFFAOYSA-N 0 3 311.372 3.345 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c([O-])c1 ZINC001236787326 1099785291 /nfs/dbraw/zinc/78/52/91/1099785291.db2.gz KZEQFDHHOPGEBN-FQEVSTJZSA-N 0 3 322.408 3.050 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c([O-])c1 ZINC001236787326 1099785297 /nfs/dbraw/zinc/78/52/97/1099785297.db2.gz KZEQFDHHOPGEBN-FQEVSTJZSA-N 0 3 322.408 3.050 20 10 DGCDHN COc1ccc2c(c1)CN(Cc1c(C)cc(OC)cc1O)CC2 ZINC001236808071 1099800750 /nfs/dbraw/zinc/80/07/50/1099800750.db2.gz LOAZHHDEXKCQHF-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN Oc1cc2ccccc2cc1CN1CCN2CC(F)(F)C[C@H]2C1 ZINC001236830801 1099817626 /nfs/dbraw/zinc/81/76/26/1099817626.db2.gz CPUFWLLMFBKTSC-INIZCTEOSA-N 0 3 318.367 3.071 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001236830801 1099817638 /nfs/dbraw/zinc/81/76/38/1099817638.db2.gz CPUFWLLMFBKTSC-INIZCTEOSA-N 0 3 318.367 3.071 20 10 DGCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001236830801 1099817647 /nfs/dbraw/zinc/81/76/47/1099817647.db2.gz CPUFWLLMFBKTSC-INIZCTEOSA-N 0 3 318.367 3.071 20 10 DGCDHN Clc1cc(N2CCOCC2)ccc1CN1C2CCC1CC2 ZINC001236927917 1099880781 /nfs/dbraw/zinc/88/07/81/1099880781.db2.gz ZDZBUAKUGBSHOD-UHFFFAOYSA-N 0 3 306.837 3.303 20 10 DGCDHN [O-]c1cc(F)cc(F)c1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962066 1099891560 /nfs/dbraw/zinc/89/15/60/1099891560.db2.gz TZMAEJRZIZAROX-UHFFFAOYSA-N 0 3 324.415 3.272 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])[C@@H]1C ZINC001237048417 1099940964 /nfs/dbraw/zinc/94/09/64/1099940964.db2.gz FWPFDBONMOTUCS-CZUORRHYSA-N 0 3 305.418 3.289 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])[C@@H]1C ZINC001237048417 1099940971 /nfs/dbraw/zinc/94/09/71/1099940971.db2.gz FWPFDBONMOTUCS-CZUORRHYSA-N 0 3 305.418 3.289 20 10 DGCDHN CC(C)c1ccc(CN2CCN(c3ccccn3)CC2)c(O)c1 ZINC001237048186 1099943072 /nfs/dbraw/zinc/94/30/72/1099943072.db2.gz QVKMKSSYPOEKAC-UHFFFAOYSA-N 0 3 311.429 3.233 20 10 DGCDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049679 1099944019 /nfs/dbraw/zinc/94/40/19/1099944019.db2.gz RLZDDVXYZQZIMY-CQSZACIVSA-N 0 3 305.418 3.291 20 10 DGCDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049679 1099944026 /nfs/dbraw/zinc/94/40/26/1099944026.db2.gz RLZDDVXYZQZIMY-CQSZACIVSA-N 0 3 305.418 3.291 20 10 DGCDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049359 1099944440 /nfs/dbraw/zinc/94/44/40/1099944440.db2.gz NTILZKLNIYBTIN-GOSISDBHSA-N 0 3 305.418 3.291 20 10 DGCDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049359 1099944444 /nfs/dbraw/zinc/94/44/44/1099944444.db2.gz NTILZKLNIYBTIN-GOSISDBHSA-N 0 3 305.418 3.291 20 10 DGCDHN CC(C)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c([O-])c1 ZINC001237055884 1099946568 /nfs/dbraw/zinc/94/65/68/1099946568.db2.gz RUKPOVXYMCAWIR-UHFFFAOYSA-N 0 3 316.445 3.102 20 10 DGCDHN CO[C@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)[C@H](C)C1 ZINC001237126451 1099984771 /nfs/dbraw/zinc/98/47/71/1099984771.db2.gz YFSITRYJOCMLNV-MNOVXSKESA-N 0 3 319.323 3.290 20 10 DGCDHN Cc1cc([O-])c(CN(C2CCC2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001237157721 1100007146 /nfs/dbraw/zinc/00/71/46/1100007146.db2.gz VMUQVRDXXAMVBV-HNNXBMFYSA-N 0 3 308.853 3.461 20 10 DGCDHN Cc1cccc(O)c1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001237488353 1100142090 /nfs/dbraw/zinc/14/20/90/1100142090.db2.gz UBXLRBMEDRXAOU-UHFFFAOYSA-N 0 3 317.820 3.071 20 10 DGCDHN Cc1cccc(N2CCC[N@H+](Cc3c(C)cccc3[O-])CC2)n1 ZINC001237492040 1100143423 /nfs/dbraw/zinc/14/34/23/1100143423.db2.gz NWSWKWUTLPSXSV-UHFFFAOYSA-N 0 3 311.429 3.116 20 10 DGCDHN Cc1cccc(N2CCC[N@@H+](Cc3c(C)cccc3[O-])CC2)n1 ZINC001237492040 1100143426 /nfs/dbraw/zinc/14/34/26/1100143426.db2.gz NWSWKWUTLPSXSV-UHFFFAOYSA-N 0 3 311.429 3.116 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC001237494443 1100145784 /nfs/dbraw/zinc/14/57/84/1100145784.db2.gz IVUCOADPOABYAA-CABCVRRESA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC001237494443 1100145791 /nfs/dbraw/zinc/14/57/91/1100145791.db2.gz IVUCOADPOABYAA-CABCVRRESA-N 0 3 305.418 3.112 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCC2(COC2)C1 ZINC001237641678 1100199187 /nfs/dbraw/zinc/19/91/87/1100199187.db2.gz VITZDAVVHMTSKK-UHFFFAOYSA-N 0 3 313.372 3.421 20 10 DGCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCC2(COC2)C1 ZINC001237641678 1100199192 /nfs/dbraw/zinc/19/91/92/1100199192.db2.gz VITZDAVVHMTSKK-UHFFFAOYSA-N 0 3 313.372 3.421 20 10 DGCDHN COC[C@H]1CC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237649970 1100203327 /nfs/dbraw/zinc/20/33/27/1100203327.db2.gz ORTVUWBMAZBKGS-QGZVFWFLSA-N 0 3 301.361 3.419 20 10 DGCDHN COC[C@H]1CC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237649970 1100203331 /nfs/dbraw/zinc/20/33/31/1100203331.db2.gz ORTVUWBMAZBKGS-QGZVFWFLSA-N 0 3 301.361 3.419 20 10 DGCDHN COc1cc(CN2CCC[C@H]2c2ccncc2)c(O)c(OC)c1 ZINC001237676220 1100210711 /nfs/dbraw/zinc/21/07/11/1100210711.db2.gz LBRNRCNTGGXCLF-INIZCTEOSA-N 0 3 314.385 3.142 20 10 DGCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c1[O-] ZINC001237681061 1100211591 /nfs/dbraw/zinc/21/15/91/1100211591.db2.gz KUHAHHVUTMOGEU-AWEZNQCLSA-N 0 3 309.837 3.339 20 10 DGCDHN COc1cc(CN2CCC[C@@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237676444 1100212989 /nfs/dbraw/zinc/21/29/89/1100212989.db2.gz OHYNEZBVYKWFAT-LLVKDONJSA-N 0 3 319.323 3.184 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1[O-] ZINC001237681771 1100213067 /nfs/dbraw/zinc/21/30/67/1100213067.db2.gz RHGHKTFSOBVZBF-OAHLLOKOSA-N 0 3 301.789 3.041 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@](O)(CF)C2)c1[O-] ZINC001237681771 1100213070 /nfs/dbraw/zinc/21/30/70/1100213070.db2.gz RHGHKTFSOBVZBF-OAHLLOKOSA-N 0 3 301.789 3.041 20 10 DGCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c1[O-] ZINC001237685183 1100214420 /nfs/dbraw/zinc/21/44/20/1100214420.db2.gz FHOCJOCNMRFWFA-AWEZNQCLSA-N 0 3 313.800 3.447 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c1[O-] ZINC001237688116 1100215383 /nfs/dbraw/zinc/21/53/83/1100215383.db2.gz FSXUMGDRLSGKTM-CQSZACIVSA-N 0 3 311.809 3.081 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c1[O-] ZINC001237688116 1100215388 /nfs/dbraw/zinc/21/53/88/1100215388.db2.gz FSXUMGDRLSGKTM-CQSZACIVSA-N 0 3 311.809 3.081 20 10 DGCDHN CCOC(=O)C1(C)CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238062973 1100347088 /nfs/dbraw/zinc/34/70/88/1100347088.db2.gz VCNOFIKCBFSHAS-UHFFFAOYSA-N 0 3 309.381 3.005 20 10 DGCDHN CCc1nnc(C2CCN(Cc3cc(F)cc(C)c3O)CC2)o1 ZINC001238071134 1100350874 /nfs/dbraw/zinc/35/08/74/1100350874.db2.gz SRXNEXZCXKERQZ-UHFFFAOYSA-N 0 3 319.380 3.165 20 10 DGCDHN Cn1ccc(-c2ccc(C[N@H+](C)Cc3ccccc3[O-])cc2)n1 ZINC001248766771 1105158036 /nfs/dbraw/zinc/15/80/36/1105158036.db2.gz FZSPTIPLANGQLY-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN Cn1ccc(-c2ccc(C[N@@H+](C)Cc3ccccc3[O-])cc2)n1 ZINC001248766771 1105158043 /nfs/dbraw/zinc/15/80/43/1105158043.db2.gz FZSPTIPLANGQLY-UHFFFAOYSA-N 0 3 307.397 3.425 20 10 DGCDHN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252162 1105256238 /nfs/dbraw/zinc/25/62/38/1105256238.db2.gz HHXLTADZULHNED-INIZCTEOSA-N 0 3 317.429 3.312 20 10 DGCDHN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252162 1105256243 /nfs/dbraw/zinc/25/62/43/1105256243.db2.gz HHXLTADZULHNED-INIZCTEOSA-N 0 3 317.429 3.312 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H]4OCC[C@H]4C3)ccc2O1 ZINC001249252008 1105256570 /nfs/dbraw/zinc/25/65/70/1105256570.db2.gz DXLIHRADUUAUKC-XJKSGUPXSA-N 0 3 315.413 3.187 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H]4OCC[C@H]4C3)ccc2O1 ZINC001249252008 1105256572 /nfs/dbraw/zinc/25/65/72/1105256572.db2.gz DXLIHRADUUAUKC-XJKSGUPXSA-N 0 3 315.413 3.187 20 10 DGCDHN CC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249251870 1105256799 /nfs/dbraw/zinc/25/67/99/1105256799.db2.gz AWQOAJLJMPVDRE-AWEZNQCLSA-N 0 3 315.413 3.377 20 10 DGCDHN CC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249251870 1105256803 /nfs/dbraw/zinc/25/68/03/1105256803.db2.gz AWQOAJLJMPVDRE-AWEZNQCLSA-N 0 3 315.413 3.377 20 10 DGCDHN CCc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)cc1 ZINC001249338841 1105270592 /nfs/dbraw/zinc/27/05/92/1105270592.db2.gz FMBHFSJWRZWBDA-OAHLLOKOSA-N 0 3 309.369 3.247 20 10 DGCDHN Cc1ccc(F)c(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1 ZINC001249339140 1105270725 /nfs/dbraw/zinc/27/07/25/1105270725.db2.gz JYMWNUFZVSSYCJ-CQSZACIVSA-N 0 3 313.332 3.132 20 10 DGCDHN Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c(C)c1 ZINC001249340084 1105271443 /nfs/dbraw/zinc/27/14/43/1105271443.db2.gz UKQOGUYPLSDGNZ-OAHLLOKOSA-N 0 3 309.369 3.302 20 10 DGCDHN CCN1CCN(c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC001250861180 1105595880 /nfs/dbraw/zinc/59/58/80/1105595880.db2.gz MJPUSTKHUHNRCG-UHFFFAOYSA-N 0 3 306.413 3.372 20 10 DGCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607684 1106112576 /nfs/dbraw/zinc/11/25/76/1106112576.db2.gz LZQYFEFSVBDUJA-QGZVFWFLSA-N 0 3 312.369 3.290 20 10 DGCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607684 1106112578 /nfs/dbraw/zinc/11/25/78/1106112578.db2.gz LZQYFEFSVBDUJA-QGZVFWFLSA-N 0 3 312.369 3.290 20 10 DGCDHN Oc1cccc2c1CN([C@@H]1COc3ccc(Cl)cc3C1)CC2 ZINC001257967126 1106652625 /nfs/dbraw/zinc/65/26/25/1106652625.db2.gz RAUWDYYRTLBMBA-HNNXBMFYSA-N 0 3 315.800 3.407 20 10 DGCDHN CC(C)c1noc(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC001320253435 1106939335 /nfs/dbraw/zinc/93/93/35/1106939335.db2.gz WAJYLXOYYAKOMV-PWSUYJOCSA-N 0 3 319.380 3.418 20 10 DGCDHN CCCN1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001321386464 1107338975 /nfs/dbraw/zinc/33/89/75/1107338975.db2.gz DYJWLKSEKAMYDH-QAPCUYQASA-N 0 3 317.477 3.194 20 10 DGCDHN O=c1cc(CN(Cc2ccco2)Cc2ccccc2O)cc[nH]1 ZINC001307567098 1111315594 /nfs/dbraw/zinc/31/55/94/1111315594.db2.gz OAAWPNFVRKLLDU-UHFFFAOYSA-N 0 3 310.353 3.288 20 10 DGCDHN CCCC[N@H+](CCN1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1[O-] ZINC001307722776 1111332093 /nfs/dbraw/zinc/33/20/93/1111332093.db2.gz ZPXBPTJHYNWYFM-IAGOWNOFSA-N 0 3 320.477 3.104 20 10 DGCDHN CCCC[N@@H+](CCN1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1[O-] ZINC001307722776 1111332099 /nfs/dbraw/zinc/33/20/99/1111332099.db2.gz ZPXBPTJHYNWYFM-IAGOWNOFSA-N 0 3 320.477 3.104 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)c([O-])c1 ZINC001308667842 1111458201 /nfs/dbraw/zinc/45/82/01/1111458201.db2.gz GGWIADCZUXLCLO-VQIMIIECSA-N 0 3 310.441 3.311 20 10 DGCDHN COCCOCC[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179583676 432063919 /nfs/dbraw/zinc/06/39/19/432063919.db2.gz KSBDQXJYYVVPQP-UHFFFAOYSA-N 0 3 315.413 3.057 20 10 DGCDHN COCCOCC[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179583676 432063921 /nfs/dbraw/zinc/06/39/21/432063921.db2.gz KSBDQXJYYVVPQP-UHFFFAOYSA-N 0 3 315.413 3.057 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000268850631 432144423 /nfs/dbraw/zinc/14/44/23/432144423.db2.gz PMZQNXPOMUJZMW-VOBQZIQPSA-N 0 3 310.441 3.452 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000272827779 130067817 /nfs/dbraw/zinc/06/78/17/130067817.db2.gz HCCOOFAFPZWKDX-STQMWFEESA-N 0 3 310.397 3.323 20 10 DGCDHN C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccccc1[O-] ZINC000272846927 130068435 /nfs/dbraw/zinc/06/84/35/130068435.db2.gz KLKKSCDLNRYNFR-HNNXBMFYSA-N 0 3 310.441 3.142 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c([O-])c1C ZINC000273355762 130111652 /nfs/dbraw/zinc/11/16/52/130111652.db2.gz CNMDATWAIXVIRY-WMLDXEAASA-N 0 3 317.404 3.402 20 10 DGCDHN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])cc1 ZINC000273415877 130118683 /nfs/dbraw/zinc/11/86/83/130118683.db2.gz QXEPICARAHCEKL-KBXCAEBGSA-N 0 3 315.413 3.402 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273437599 130122081 /nfs/dbraw/zinc/12/20/81/130122081.db2.gz XNPCJOZMIJQNEX-HOCLYGCPSA-N 0 3 317.404 3.342 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1C ZINC000273481231 130126554 /nfs/dbraw/zinc/12/65/54/130126554.db2.gz MEDXDPZRCUYGGQ-KGLIPLIRSA-N 0 3 304.434 3.059 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c([O-])c1C ZINC000273500966 130129064 /nfs/dbraw/zinc/12/90/64/130129064.db2.gz QCQKYKUTXZVOLN-AWEZNQCLSA-N 0 3 312.413 3.001 20 10 DGCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCOC1 ZINC000273497470 130129390 /nfs/dbraw/zinc/12/93/90/130129390.db2.gz NLMRQQYYZOCXSZ-KRWDZBQOSA-N 0 3 313.397 3.192 20 10 DGCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCOC1 ZINC000273497470 130129391 /nfs/dbraw/zinc/12/93/91/130129391.db2.gz NLMRQQYYZOCXSZ-KRWDZBQOSA-N 0 3 313.397 3.192 20 10 DGCDHN C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000273560497 130136850 /nfs/dbraw/zinc/13/68/50/130136850.db2.gz IARBIMPISYMTLC-GHMZBOCLSA-N 0 3 315.255 3.146 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c([O-])c1C ZINC000273571671 130139298 /nfs/dbraw/zinc/13/92/98/130139298.db2.gz KVLXMAGQXRQWQY-HNNXBMFYSA-N 0 3 318.461 3.308 20 10 DGCDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000274197508 130215104 /nfs/dbraw/zinc/21/51/04/130215104.db2.gz KXONOWXSYRSDFS-ZWQIFLOQSA-N 0 3 318.461 3.130 20 10 DGCDHN C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275300869 130302954 /nfs/dbraw/zinc/30/29/54/130302954.db2.gz QLWUCNARZNWHGD-FPTDNZKUSA-N 0 3 317.454 3.258 20 10 DGCDHN C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275300869 130302959 /nfs/dbraw/zinc/30/29/59/130302959.db2.gz QLWUCNARZNWHGD-FPTDNZKUSA-N 0 3 317.454 3.258 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)CCO)c1[O-] ZINC000275346221 130307897 /nfs/dbraw/zinc/30/78/97/130307897.db2.gz PSMOSFVAZFJOGW-GXSJLCMTSA-N 0 3 316.239 3.132 20 10 DGCDHN CN(C)c1ccc(CNCc2ccnc(OC(F)F)c2)cc1 ZINC000283916190 131033644 /nfs/dbraw/zinc/03/36/44/131033644.db2.gz INMFPFQDAQXMNZ-UHFFFAOYSA-N 0 3 307.344 3.039 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2ccnc(OC(F)F)c2)c1 ZINC000284282514 131066956 /nfs/dbraw/zinc/06/69/56/131066956.db2.gz HQFQILXOWRQLPS-JTQLQIEISA-N 0 3 324.327 3.248 20 10 DGCDHN COc1cccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1O ZINC000284430449 131079667 /nfs/dbraw/zinc/07/96/67/131079667.db2.gz RWYCBWDTIJBEHR-OCCSQVGLSA-N 0 3 316.228 3.417 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000284927537 131123947 /nfs/dbraw/zinc/12/39/47/131123947.db2.gz GTQSVGNZBHWHMR-UONOGXRCSA-N 0 3 311.809 3.198 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000284927537 131123948 /nfs/dbraw/zinc/12/39/48/131123948.db2.gz GTQSVGNZBHWHMR-UONOGXRCSA-N 0 3 311.809 3.198 20 10 DGCDHN COc1ccc([C@H](CN(C)C)NCc2cccc(C)c2O)cc1 ZINC000285112293 131139411 /nfs/dbraw/zinc/13/94/11/131139411.db2.gz NMMNAZPASUZRTR-SFHVURJKSA-N 0 3 314.429 3.102 20 10 DGCDHN C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000287136574 131266079 /nfs/dbraw/zinc/26/60/79/131266079.db2.gz RYJCBBNPAVCNFL-GUYCJALGSA-N 0 3 302.393 3.485 20 10 DGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)c1ccccc1 ZINC000288547154 131329799 /nfs/dbraw/zinc/32/97/99/131329799.db2.gz LFUYYPRMTYRPCV-UGSOOPFHSA-N 0 3 302.393 3.103 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)c1ccccc1 ZINC000288547149 131330425 /nfs/dbraw/zinc/33/04/25/131330425.db2.gz LFUYYPRMTYRPCV-FZKQIMNGSA-N 0 3 302.393 3.103 20 10 DGCDHN CCCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c([O-])c1 ZINC000288557529 131330588 /nfs/dbraw/zinc/33/05/88/131330588.db2.gz MAMYWGZFIRJZCJ-AUUYWEPGSA-N 0 3 315.413 3.393 20 10 DGCDHN COc1cccc(CNCc2ccc(OCC(F)F)cc2)c1O ZINC000289393950 131382816 /nfs/dbraw/zinc/38/28/16/131382816.db2.gz FLMKOMZKYGCBOY-UHFFFAOYSA-N 0 3 323.339 3.335 20 10 DGCDHN COc1cccc(C[NH2+]Cc2ccc(OCC(F)F)cc2)c1[O-] ZINC000289393950 131382818 /nfs/dbraw/zinc/38/28/18/131382818.db2.gz FLMKOMZKYGCBOY-UHFFFAOYSA-N 0 3 323.339 3.335 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1ccn(-c3ccccc3)n1)CC2 ZINC000297570766 132023760 /nfs/dbraw/zinc/02/37/60/132023760.db2.gz GPCWUIJYSOXZGA-GOSISDBHSA-N 0 3 319.408 3.398 20 10 DGCDHN Cc1cc2ncc([C@@H](C)NCc3ccc(N(C)C)cc3)c(C)n2n1 ZINC000120568002 132148740 /nfs/dbraw/zinc/14/87/40/132148740.db2.gz OHEFYUOJSMRZOT-CQSZACIVSA-N 0 3 323.444 3.263 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000091957517 400141937 /nfs/dbraw/zinc/14/19/37/400141937.db2.gz CWHZSMZKBOQJGL-MSOLQXFVSA-N 0 3 314.429 3.434 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000091958847 400143067 /nfs/dbraw/zinc/14/30/67/400143067.db2.gz UMKXDXHEYUTGEC-RDJZCZTQSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000091958847 400143069 /nfs/dbraw/zinc/14/30/69/400143069.db2.gz UMKXDXHEYUTGEC-RDJZCZTQSA-N 0 3 301.386 3.382 20 10 DGCDHN CN(C)c1ccc(CNCc2ccccc2Cn2ccnc2)cc1 ZINC000030651674 400331368 /nfs/dbraw/zinc/33/13/68/400331368.db2.gz BPONYXQUKFKWOO-UHFFFAOYSA-N 0 3 320.440 3.287 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c([O-])c1 ZINC000185687553 292196741 /nfs/dbraw/zinc/19/67/41/292196741.db2.gz RTJDHJQVOGNBNN-KGLIPLIRSA-N 0 3 315.392 3.164 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1 ZINC000273297302 286339190 /nfs/dbraw/zinc/33/91/90/286339190.db2.gz AKABCRSSKRIWLK-LRDDRELGSA-N 0 3 320.458 3.416 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000363859961 286339345 /nfs/dbraw/zinc/33/93/45/286339345.db2.gz SVYLAVFDNZMQOT-AADNMHCOSA-N 0 3 305.418 3.255 20 10 DGCDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@@]12CCCO2 ZINC000274197500 286395500 /nfs/dbraw/zinc/39/55/00/286395500.db2.gz KXONOWXSYRSDFS-FZDIXFNVSA-N 0 3 318.461 3.130 20 10 DGCDHN COC[C@@H](CCO)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000269011036 432150627 /nfs/dbraw/zinc/15/06/27/432150627.db2.gz MSUJEINPFGLYLH-SJLPKXTDSA-N 0 3 320.477 3.115 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1[O-] ZINC000136681807 432159841 /nfs/dbraw/zinc/15/98/41/432159841.db2.gz PYXJZJOJPGAGBU-OAHLLOKOSA-N 0 3 305.418 3.372 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCc2c(C)nn(C)c2C)cc1 ZINC000151131837 432220998 /nfs/dbraw/zinc/22/09/98/432220998.db2.gz GRHVPOZNCSZIBE-ZDUSSCGKSA-N 0 3 300.450 3.344 20 10 DGCDHN CC(C)C(=O)NCCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178226078 277333444 /nfs/dbraw/zinc/33/34/44/277333444.db2.gz WFQOFRHPDQVIKB-MRXNPFEDSA-N 0 3 317.477 3.100 20 10 DGCDHN CC[C@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1ccc(C)cc1[O-] ZINC000296537919 288075261 /nfs/dbraw/zinc/07/52/61/288075261.db2.gz QUVLYPJSXSJCDI-RDJZCZTQSA-N 0 3 306.450 3.244 20 10 DGCDHN COCCCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000112641131 431292116 /nfs/dbraw/zinc/29/21/16/431292116.db2.gz NLIXLXYNYRCAOB-KRWDZBQOSA-N 0 3 307.434 3.190 20 10 DGCDHN COCCCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000112641131 431292124 /nfs/dbraw/zinc/29/21/24/431292124.db2.gz NLIXLXYNYRCAOB-KRWDZBQOSA-N 0 3 307.434 3.190 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1 ZINC000113341786 431343144 /nfs/dbraw/zinc/34/31/44/431343144.db2.gz YIOLLYZEJGLBOH-UHFFFAOYSA-N 0 3 324.424 3.160 20 10 DGCDHN CCOc1cc(CNCc2cccc(OC)c2O)ccc1OC ZINC000114505432 431394351 /nfs/dbraw/zinc/39/43/51/431394351.db2.gz UVQACUVOORWTBV-UHFFFAOYSA-N 0 3 317.385 3.098 20 10 DGCDHN Cc1cc(O)c(CNC(C)(C)C(=O)NCC(C)(C)C)cc1C ZINC000121199323 431753328 /nfs/dbraw/zinc/75/33/28/431753328.db2.gz YLXVSKTUVKQKLY-UHFFFAOYSA-N 0 3 306.450 3.040 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611681 431916261 /nfs/dbraw/zinc/91/62/61/431916261.db2.gz XDJZKMZLQSNQFT-HNNXBMFYSA-N 0 3 311.303 3.045 20 10 DGCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611681 431916262 /nfs/dbraw/zinc/91/62/62/431916262.db2.gz XDJZKMZLQSNQFT-HNNXBMFYSA-N 0 3 311.303 3.045 20 10 DGCDHN COc1cccc(CN2CCCC[C@@H]2c2cccn2C)c1O ZINC000093845473 431918498 /nfs/dbraw/zinc/91/84/98/431918498.db2.gz ZHYGBIJADGSJIG-MRXNPFEDSA-N 0 3 300.402 3.467 20 10 DGCDHN Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)s1 ZINC000048326848 431923849 /nfs/dbraw/zinc/92/38/49/431923849.db2.gz RFPZCRTWMYJPAS-UHFFFAOYSA-N 0 3 302.443 3.183 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC3(CC2)OCCO3)cc1F ZINC000126088534 431941626 /nfs/dbraw/zinc/94/16/26/431941626.db2.gz ODEBJNDODMUXOM-UHFFFAOYSA-N 0 3 322.424 3.011 20 10 DGCDHN COc1ccc([O-])c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000183376161 432288387 /nfs/dbraw/zinc/28/83/87/432288387.db2.gz PHEOXDHODMJWLC-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000183376161 432288389 /nfs/dbraw/zinc/28/83/89/432288389.db2.gz PHEOXDHODMJWLC-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN COc1ccc(O)c(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC000183376161 432288393 /nfs/dbraw/zinc/28/83/93/432288393.db2.gz PHEOXDHODMJWLC-UHFFFAOYSA-N 0 3 300.402 3.099 20 10 DGCDHN C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccccc1[O-] ZINC000183439200 432293467 /nfs/dbraw/zinc/29/34/67/432293467.db2.gz JDOJCDOZXHMCAU-CYBMUJFWSA-N 0 3 302.443 3.163 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1[O-] ZINC000183432572 432293732 /nfs/dbraw/zinc/29/37/32/432293732.db2.gz DDXLYPKNEYERAD-DYVFJYSZSA-N 0 3 302.393 3.485 20 10 DGCDHN CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271052369 432323102 /nfs/dbraw/zinc/32/31/02/432323102.db2.gz WXGVUAAPHNVGAQ-SFHVURJKSA-N 0 3 324.424 3.112 20 10 DGCDHN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271052369 432323107 /nfs/dbraw/zinc/32/31/07/432323107.db2.gz WXGVUAAPHNVGAQ-SFHVURJKSA-N 0 3 324.424 3.112 20 10 DGCDHN CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271091340 432328905 /nfs/dbraw/zinc/32/89/05/432328905.db2.gz WQFQHIFVBQURSX-GOSISDBHSA-N 0 3 324.424 3.160 20 10 DGCDHN CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271091340 432328908 /nfs/dbraw/zinc/32/89/08/432328908.db2.gz WQFQHIFVBQURSX-GOSISDBHSA-N 0 3 324.424 3.160 20 10 DGCDHN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1n1ccnc1 ZINC000271265736 432365185 /nfs/dbraw/zinc/36/51/85/432365185.db2.gz LTOQGRRFMNFXFV-RDTXWAMCSA-N 0 3 316.424 3.171 20 10 DGCDHN C[C@@H](NCc1cccc(C(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000184926958 432445950 /nfs/dbraw/zinc/44/59/50/432445950.db2.gz BJMXNCPDEXLUIF-CYBMUJFWSA-N 0 3 324.424 3.221 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)c1ccc(F)cc1[O-] ZINC000184936760 432447937 /nfs/dbraw/zinc/44/79/37/432447937.db2.gz BWWGQLSKXPMMFP-ZDUSSCGKSA-N 0 3 302.393 3.444 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(OC)c(Cl)c2)c1 ZINC000271855469 432426467 /nfs/dbraw/zinc/42/64/67/432426467.db2.gz SJDTUQMXIQMVOO-SNVBAGLBSA-N 0 3 322.792 3.309 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000185468431 432504294 /nfs/dbraw/zinc/50/42/94/432504294.db2.gz RFLODBQJAXSQFW-PZROIBLQSA-N 0 3 319.376 3.313 20 10 DGCDHN CCCNC(=O)C1([NH2+]Cc2cc(C)ccc2[O-])CCCCC1 ZINC000154542757 432506601 /nfs/dbraw/zinc/50/66/01/432506601.db2.gz VUXTXZCNWMSYNU-UHFFFAOYSA-N 0 3 304.434 3.019 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000185525461 432509258 /nfs/dbraw/zinc/50/92/58/432509258.db2.gz XFOMPDLSWNJUES-ZBFHGGJFSA-N 0 3 315.413 3.218 20 10 DGCDHN COc1cccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1[O-] ZINC000185111345 432467256 /nfs/dbraw/zinc/46/72/56/432467256.db2.gz MKPBSODDQGAVBQ-KRWDZBQOSA-N 0 3 321.804 3.052 20 10 DGCDHN COc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000263655681 432563163 /nfs/dbraw/zinc/56/31/63/432563163.db2.gz FTEPTDCBPNOJGD-CYBMUJFWSA-N 0 3 301.386 3.130 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)c1 ZINC000186157678 432563324 /nfs/dbraw/zinc/56/33/24/432563324.db2.gz NYSYMQMYMJXKDU-GHMZBOCLSA-N 0 3 304.390 3.460 20 10 DGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1Oc1ccccc1 ZINC000186161910 432563544 /nfs/dbraw/zinc/56/35/44/432563544.db2.gz URCUZOJPNNQFTQ-UHOSZYNNSA-N 0 3 313.397 3.107 20 10 DGCDHN CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000185582755 432513783 /nfs/dbraw/zinc/51/37/83/432513783.db2.gz UPKYNXXVGJZPMS-ZDUSSCGKSA-N 0 3 309.381 3.085 20 10 DGCDHN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000185582755 432513788 /nfs/dbraw/zinc/51/37/88/432513788.db2.gz UPKYNXXVGJZPMS-ZDUSSCGKSA-N 0 3 309.381 3.085 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(CCO)CCCCC2)c1 ZINC000185669415 432522732 /nfs/dbraw/zinc/52/27/32/432522732.db2.gz BNZGGYROSRJRJJ-AWEZNQCLSA-N 0 3 307.434 3.384 20 10 DGCDHN CC[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccccc1[O-] ZINC000155160779 432542312 /nfs/dbraw/zinc/54/23/12/432542312.db2.gz GPTHOZTYCBEETA-CYBMUJFWSA-N 0 3 304.356 3.317 20 10 DGCDHN CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186177218 432566184 /nfs/dbraw/zinc/56/61/84/432566184.db2.gz WCOIGHHODUIPQX-LLVKDONJSA-N 0 3 305.397 3.240 20 10 DGCDHN C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1[O-] ZINC000186335184 432582675 /nfs/dbraw/zinc/58/26/75/432582675.db2.gz GAUJTYLKILQYHW-ASFAAARLSA-N 0 3 312.413 3.268 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1C ZINC000273467233 432601851 /nfs/dbraw/zinc/60/18/51/432601851.db2.gz FAZRCQDNZUEZJI-JYJNAYRXSA-N 0 3 318.461 3.307 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(C(N)=O)cc2)cc1 ZINC000178181711 432703892 /nfs/dbraw/zinc/70/38/92/432703892.db2.gz DGOGNJPQDXVXOS-AWEZNQCLSA-N 0 3 311.429 3.092 20 10 DGCDHN CC[C@H](C[NH2+]Cc1cccc(C)c1[O-])NC(=O)OC(C)(C)C ZINC000227714094 432714302 /nfs/dbraw/zinc/71/43/02/432714302.db2.gz VJJRMUFNYXHAAF-CQSZACIVSA-N 0 3 308.422 3.094 20 10 DGCDHN Cc1cc(O)c(CNCc2ccnc(N3CCCC3)c2)cc1C ZINC000266165223 432753024 /nfs/dbraw/zinc/75/30/24/432753024.db2.gz ALPVXPNZJODTPN-UHFFFAOYSA-N 0 3 311.429 3.294 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1C ZINC000266165223 432753026 /nfs/dbraw/zinc/75/30/26/432753026.db2.gz ALPVXPNZJODTPN-UHFFFAOYSA-N 0 3 311.429 3.294 20 10 DGCDHN COc1cc(CNCc2cc(C)ccc2O)cc(OC)c1OC ZINC000237295716 432783092 /nfs/dbraw/zinc/78/30/92/432783092.db2.gz RUGGEMVQRRFPGX-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN COc1cc(C[NH2+]Cc2cc(C)ccc2[O-])cc(OC)c1OC ZINC000237295716 432783097 /nfs/dbraw/zinc/78/30/97/432783097.db2.gz RUGGEMVQRRFPGX-UHFFFAOYSA-N 0 3 317.385 3.016 20 10 DGCDHN C[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000237588478 432793020 /nfs/dbraw/zinc/79/30/20/432793020.db2.gz KRDSONPKZAVAJQ-AWEZNQCLSA-N 0 3 312.413 3.375 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCn1cnc3ccccc31)CC2 ZINC000296218071 432884632 /nfs/dbraw/zinc/88/46/32/432884632.db2.gz ZSBDSBRMOHAUBY-INIZCTEOSA-N 0 3 307.397 3.409 20 10 DGCDHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000278436449 432895078 /nfs/dbraw/zinc/89/50/78/432895078.db2.gz UZMCAWBXYGGHOU-HIFRSBDPSA-N 0 3 320.433 3.046 20 10 DGCDHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000278436449 432895080 /nfs/dbraw/zinc/89/50/80/432895080.db2.gz UZMCAWBXYGGHOU-HIFRSBDPSA-N 0 3 320.433 3.046 20 10 DGCDHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000278436450 432895195 /nfs/dbraw/zinc/89/51/95/432895195.db2.gz UZMCAWBXYGGHOU-UKRRQHHQSA-N 0 3 320.433 3.046 20 10 DGCDHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000278436450 432895196 /nfs/dbraw/zinc/89/51/96/432895196.db2.gz UZMCAWBXYGGHOU-UKRRQHHQSA-N 0 3 320.433 3.046 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CCSC(C)(C)CC2)cc1OC ZINC000278797180 432901397 /nfs/dbraw/zinc/90/13/97/432901397.db2.gz PLPCVEZVNHCAJP-UHFFFAOYSA-N 0 3 311.447 3.127 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CCSC(C)(C)CC2)cc1OC ZINC000278797180 432901400 /nfs/dbraw/zinc/90/14/00/432901400.db2.gz PLPCVEZVNHCAJP-UHFFFAOYSA-N 0 3 311.447 3.127 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1([C@@H](O)c3ccccc3)CC1)CC2 ZINC000297047264 432952382 /nfs/dbraw/zinc/95/23/82/432952382.db2.gz VLCRVGJOFBQBAZ-APWZRJJASA-N 0 3 309.409 3.483 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000280487450 433059460 /nfs/dbraw/zinc/05/94/60/433059460.db2.gz ONCJRFICLFRQMY-RISCZKNCSA-N 0 3 313.825 3.180 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000280487450 433059466 /nfs/dbraw/zinc/05/94/66/433059466.db2.gz ONCJRFICLFRQMY-RISCZKNCSA-N 0 3 313.825 3.180 20 10 DGCDHN CC[C@H](c1ccncc1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000290536019 433084893 /nfs/dbraw/zinc/08/48/93/433084893.db2.gz QZMIPLYYEQYYDQ-CQSZACIVSA-N 0 3 300.358 3.099 20 10 DGCDHN COc1cc(O)c(CN2CC3(CCC3)[C@@H]2C2CC2)cc1OC ZINC000291561459 433272137 /nfs/dbraw/zinc/27/21/37/433272137.db2.gz NDMCKEGKBOXPKE-KRWDZBQOSA-N 0 3 303.402 3.174 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1OC ZINC000291561459 433272144 /nfs/dbraw/zinc/27/21/44/433272144.db2.gz NDMCKEGKBOXPKE-KRWDZBQOSA-N 0 3 303.402 3.174 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1OC ZINC000291561459 433272159 /nfs/dbraw/zinc/27/21/59/433272159.db2.gz NDMCKEGKBOXPKE-KRWDZBQOSA-N 0 3 303.402 3.174 20 10 DGCDHN COc1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1O ZINC000291779572 433351076 /nfs/dbraw/zinc/35/10/76/433351076.db2.gz UTIDBJLQTFSEJQ-UHFFFAOYSA-N 0 3 316.357 3.334 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c([O-])c1 ZINC000281648360 433336091 /nfs/dbraw/zinc/33/60/91/433336091.db2.gz PLQRFDHUNMQLGW-CYBMUJFWSA-N 0 3 317.458 3.477 20 10 DGCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1OC ZINC000282312517 433564478 /nfs/dbraw/zinc/56/44/78/433564478.db2.gz HASIFFGLLQLWCW-LLVKDONJSA-N 0 3 315.360 3.325 20 10 DGCDHN CCCC[N@H+](CCn1c(C)csc1=O)Cc1ccccc1[O-] ZINC000282396413 433591600 /nfs/dbraw/zinc/59/16/00/433591600.db2.gz HJQOOPJMEUZFQU-UHFFFAOYSA-N 0 3 320.458 3.226 20 10 DGCDHN CCCC[N@@H+](CCn1c(C)csc1=O)Cc1ccccc1[O-] ZINC000282396413 433591609 /nfs/dbraw/zinc/59/16/09/433591609.db2.gz HJQOOPJMEUZFQU-UHFFFAOYSA-N 0 3 320.458 3.226 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(C)C)C1=O ZINC000282476243 433614453 /nfs/dbraw/zinc/61/44/53/433614453.db2.gz OIAXVYGWUYQABP-MRXNPFEDSA-N 0 3 304.434 3.004 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(C)C)C1=O ZINC000282476243 433614462 /nfs/dbraw/zinc/61/44/62/433614462.db2.gz OIAXVYGWUYQABP-MRXNPFEDSA-N 0 3 304.434 3.004 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c([O-])c1 ZINC000293232581 433669016 /nfs/dbraw/zinc/66/90/16/433669016.db2.gz AXMHRFFDTRRIFL-HNNXBMFYSA-N 0 3 318.461 3.499 20 10 DGCDHN COCCCN1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293807294 433875899 /nfs/dbraw/zinc/87/58/99/433875899.db2.gz RJJIYEZSOMRZKV-MRXNPFEDSA-N 0 3 320.477 3.161 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293690273 433827445 /nfs/dbraw/zinc/82/74/45/433827445.db2.gz QNQPTFDJCZJDEE-UHFFFAOYSA-N 0 3 314.282 3.277 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1C ZINC000293702109 433834755 /nfs/dbraw/zinc/83/47/55/433834755.db2.gz RQDGCCAYOUMPTM-GOSISDBHSA-N 0 3 301.430 3.400 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1C ZINC000293702109 433834761 /nfs/dbraw/zinc/83/47/61/433834761.db2.gz RQDGCCAYOUMPTM-GOSISDBHSA-N 0 3 301.430 3.400 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000377834121 434016144 /nfs/dbraw/zinc/01/61/44/434016144.db2.gz JEKZWTZMFQFTOX-CVEARBPZSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000377834121 434016158 /nfs/dbraw/zinc/01/61/58/434016158.db2.gz JEKZWTZMFQFTOX-CVEARBPZSA-N 0 3 319.445 3.430 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](Cc2ccccc2)OC)c1 ZINC000294715935 434129647 /nfs/dbraw/zinc/12/96/47/434129647.db2.gz FAXYHOVQYQINGA-PBHICJAKSA-N 0 3 315.413 3.309 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1cnn(-c3ccccc3)c1)CC2 ZINC000296042738 434487497 /nfs/dbraw/zinc/48/74/97/434487497.db2.gz QSWYSDBOAPYKJU-GOSISDBHSA-N 0 3 319.408 3.398 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CC2 ZINC000296147117 434523077 /nfs/dbraw/zinc/52/30/77/434523077.db2.gz WOOLTXPRJMZWNM-MRXNPFEDSA-N 0 3 309.413 3.165 20 10 DGCDHN CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000296161097 434528847 /nfs/dbraw/zinc/52/88/47/434528847.db2.gz XEQDPWJKYRYJGP-SJORKVTESA-N 0 3 314.404 3.411 20 10 DGCDHN Cc1cc([O-])c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1C ZINC000368248518 434570920 /nfs/dbraw/zinc/57/09/20/434570920.db2.gz FDQCQUWCIMOPKS-MRXNPFEDSA-N 0 3 319.445 3.027 20 10 DGCDHN c1nc2n(c1CNCc1ccc(N3CCCCC3)cc1)CCCC2 ZINC000370263248 434609083 /nfs/dbraw/zinc/60/90/83/434609083.db2.gz VZRAQMVWRJJAEA-UHFFFAOYSA-N 0 3 324.472 3.500 20 10 DGCDHN CN(C)c1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1F ZINC000371811956 434754484 /nfs/dbraw/zinc/75/44/84/434754484.db2.gz YVDBQOJOMXCXKH-MRXNPFEDSA-N 0 3 306.425 3.140 20 10 DGCDHN CCOc1cccc(CN[C@@H]2CN(C)Cc3ccccc32)c1O ZINC000361171393 434821273 /nfs/dbraw/zinc/82/12/73/434821273.db2.gz UHPWUVRWJLPEMY-QGZVFWFLSA-N 0 3 312.413 3.067 20 10 DGCDHN Cc1ccc([C@H](C)N[C@H]2Cc3ccccc3NC2=O)c(O)c1C ZINC000528001798 435018430 /nfs/dbraw/zinc/01/84/30/435018430.db2.gz PWUOJJHLIJFDGB-GUYCJALGSA-N 0 3 310.397 3.223 20 10 DGCDHN COCC1(CC[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCC1 ZINC000293529335 335111671 /nfs/dbraw/zinc/11/16/71/335111671.db2.gz BRWRZTVPJAMEIE-UHFFFAOYSA-N 0 3 313.825 3.351 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000293661198 335114739 /nfs/dbraw/zinc/11/47/39/335114739.db2.gz IQEKYGJSYZZLIF-DZGCQCFKSA-N 0 3 307.434 3.240 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000360039883 337084116 /nfs/dbraw/zinc/08/41/16/337084116.db2.gz ZNXGKPKSHDSFOD-DJIMGWMZSA-N 0 3 305.418 3.084 20 10 DGCDHN COc1cccc([C@H](C[NH2+]Cc2cc(C)ccc2[O-])OC)c1 ZINC000527736331 337759790 /nfs/dbraw/zinc/75/97/90/337759790.db2.gz KSVAEIHOLINAOM-SFHVURJKSA-N 0 3 301.386 3.187 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1[O-] ZINC000527996740 337778888 /nfs/dbraw/zinc/77/88/88/337778888.db2.gz FRIIQQWAZIBQMU-NVXWUHKLSA-N 0 3 310.397 3.305 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](c2ccco2)N(C)C)c1[O-] ZINC000184704920 533953818 /nfs/dbraw/zinc/95/38/18/533953818.db2.gz YSFIIRCXJMBNIV-CYBMUJFWSA-N 0 3 324.808 3.040 20 10 DGCDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000163469781 518838544 /nfs/dbraw/zinc/83/85/44/518838544.db2.gz BDHGJMAOXXKTBW-LSDHHAIUSA-N 0 3 320.433 3.318 20 10 DGCDHN CC(C)N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1=O ZINC000265262481 519690411 /nfs/dbraw/zinc/69/04/11/519690411.db2.gz ZJYIAFKTOBBTCW-SFHVURJKSA-N 0 3 324.424 3.158 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180020561 520665133 /nfs/dbraw/zinc/66/51/33/520665133.db2.gz MXECQFYRMNKPBQ-KGLIPLIRSA-N 0 3 322.424 3.048 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180020561 520665142 /nfs/dbraw/zinc/66/51/42/520665142.db2.gz MXECQFYRMNKPBQ-KGLIPLIRSA-N 0 3 322.424 3.048 20 10 DGCDHN CC[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000127401348 522600512 /nfs/dbraw/zinc/60/05/12/522600512.db2.gz WYXOKQBWMSBMQO-HRAATJIYSA-N 0 3 310.507 3.341 20 10 DGCDHN COc1cc([O-])c(C[NH2+]C2(C)Cc3ccccc3C2)cc1OC ZINC000182663367 522778652 /nfs/dbraw/zinc/77/86/52/522778652.db2.gz WKMKHIFPVIKHAD-UHFFFAOYSA-N 0 3 313.397 3.057 20 10 DGCDHN COc1cc2c(cc1OC)CN(Cc1cc(C)ccc1O)CC2 ZINC000179942715 523033042 /nfs/dbraw/zinc/03/30/42/523033042.db2.gz GVKQOSNYONBTTR-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN COc1ccc(CNC[C@](C)(O)c2cc(C)oc2C)cc1C ZINC000266155273 524072452 /nfs/dbraw/zinc/07/24/52/524072452.db2.gz LPTRQUXVTQYEID-SFHVURJKSA-N 0 3 303.402 3.211 20 10 DGCDHN COc1ccc([O-])c(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000179950419 524736274 /nfs/dbraw/zinc/73/62/74/524736274.db2.gz VGYDWUUTKGQRAB-UHFFFAOYSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1ccc(O)c(CN2CCC(OC3CCCC3)CC2)c1 ZINC000179950419 524736285 /nfs/dbraw/zinc/73/62/85/524736285.db2.gz VGYDWUUTKGQRAB-UHFFFAOYSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(NC(C)=O)c2)c1 ZINC000182447864 524766939 /nfs/dbraw/zinc/76/69/39/524766939.db2.gz HFHHKMUXKCTFLM-GFCCVEGCSA-N 0 3 314.385 3.210 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000238102721 526373544 /nfs/dbraw/zinc/37/35/44/526373544.db2.gz GOTRTPFWQMBYIP-INIZCTEOSA-N 0 3 300.402 3.302 20 10 DGCDHN CCOc1cccc(C[NH2+]CC[C@@H](O)c2ccccc2)c1[O-] ZINC000289467435 535457601 /nfs/dbraw/zinc/45/76/01/535457601.db2.gz PACCNGGHCIFMRQ-MRXNPFEDSA-N 0 3 301.386 3.004 20 10 DGCDHN CCOC(=O)N1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284266001 535770349 /nfs/dbraw/zinc/77/03/49/535770349.db2.gz WNFACBWPOOTLHK-CQSZACIVSA-N 0 3 320.433 3.281 20 10 DGCDHN CC[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(C)cc1[O-] ZINC000280146926 535804000 /nfs/dbraw/zinc/80/40/00/535804000.db2.gz PYIQLDLKHHGWND-OAHLLOKOSA-N 0 3 304.365 3.354 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000274820821 535938101 /nfs/dbraw/zinc/93/81/01/535938101.db2.gz BPDHMGWGJHJJIB-ZWKOTPCHSA-N 0 3 324.424 3.234 20 10 DGCDHN COCc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1F ZINC000297573420 536715384 /nfs/dbraw/zinc/71/53/84/536715384.db2.gz GUMAWZJVFLMZIB-MRXNPFEDSA-N 0 3 301.361 3.455 20 10 DGCDHN C[C@H]1CCN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC000323662132 546477451 /nfs/dbraw/zinc/47/74/51/546477451.db2.gz USFIKYYOTBLSLE-AWEZNQCLSA-N 0 3 306.409 3.486 20 10 DGCDHN CN(Cc1cc2c(c(Cl)c1)OCO2)Cc1ccccc1O ZINC000731843510 574560034 /nfs/dbraw/zinc/56/00/34/574560034.db2.gz MENILXHPFWHPFN-UHFFFAOYSA-N 0 3 305.761 3.406 20 10 DGCDHN CC[C@H](C)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205008 574568184 /nfs/dbraw/zinc/56/81/84/574568184.db2.gz XFZXACCCHHWHHW-AWEZNQCLSA-N 0 3 304.434 3.052 20 10 DGCDHN CC[C@H](C)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205008 574568186 /nfs/dbraw/zinc/56/81/86/574568186.db2.gz XFZXACCCHHWHHW-AWEZNQCLSA-N 0 3 304.434 3.052 20 10 DGCDHN CN(C)c1ccc(CNC[C@@H](O)c2cccc(Cl)c2)cc1F ZINC000733325140 574615774 /nfs/dbraw/zinc/61/57/74/574615774.db2.gz ABCJUBZBQPUADB-QGZVFWFLSA-N 0 3 322.811 3.368 20 10 DGCDHN CCN(CC)c1ccc(CNC[C@@H](OC)C(F)(F)F)cc1 ZINC000733329581 574616775 /nfs/dbraw/zinc/61/67/75/574616775.db2.gz VTKKUSMDDDKEEO-CQSZACIVSA-N 0 3 304.356 3.200 20 10 DGCDHN CN(C)c1ccc(CN[C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000741257566 574954562 /nfs/dbraw/zinc/95/45/62/574954562.db2.gz FNEIFJRCWJNMRQ-FQEVSTJZSA-N 0 3 320.440 3.480 20 10 DGCDHN CCOc1ccc(O)c(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000748246859 575574864 /nfs/dbraw/zinc/57/48/64/575574864.db2.gz QHBHWZDGLJCSDB-KRWDZBQOSA-N 0 3 317.433 3.401 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1[O-] ZINC000752264446 575829597 /nfs/dbraw/zinc/82/95/97/575829597.db2.gz DLZPWGNGITXKRC-VPZZIHKRSA-N 0 3 313.397 3.444 20 10 DGCDHN CN1CCCc2cc(CNCc3n[nH]c4ccccc43)ccc21 ZINC000727469925 576128186 /nfs/dbraw/zinc/12/81/86/576128186.db2.gz PUELZXIPXIKWSL-UHFFFAOYSA-N 0 3 306.413 3.235 20 10 DGCDHN CN1CCCc2cc(CNCc3[nH]nc4ccccc43)ccc21 ZINC000727469925 576128189 /nfs/dbraw/zinc/12/81/89/576128189.db2.gz PUELZXIPXIKWSL-UHFFFAOYSA-N 0 3 306.413 3.235 20 10 DGCDHN CC(C)(C)OC(=O)[C@H](C[NH2+]Cc1ccccc1[O-])C1CCC1 ZINC000853095116 620667997 /nfs/dbraw/zinc/66/79/97/620667997.db2.gz IXAFEMXCVUQQHW-OAHLLOKOSA-N 0 3 305.418 3.240 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOCCF)c1[O-] ZINC000853238323 620680970 /nfs/dbraw/zinc/68/09/70/620680970.db2.gz GHCKVAWIWSZJCN-JTQLQIEISA-N 0 3 320.202 3.100 20 10 DGCDHN C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[O-] ZINC000111236013 620685514 /nfs/dbraw/zinc/68/55/14/620685514.db2.gz NYEDJDIQCFYNBJ-UHFFFAOYSA-N 0 3 316.357 3.201 20 10 DGCDHN C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[O-] ZINC000111236013 620685516 /nfs/dbraw/zinc/68/55/16/620685516.db2.gz NYEDJDIQCFYNBJ-UHFFFAOYSA-N 0 3 316.357 3.201 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4COC[C@@]4(C)C3)c2c1 ZINC000853567104 620710470 /nfs/dbraw/zinc/71/04/70/620710470.db2.gz SYBGUUKHKPWYGG-IFXJQAMLSA-N 0 3 313.397 3.022 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4COC[C@@]4(C)C3)c2c1 ZINC000853567104 620710472 /nfs/dbraw/zinc/71/04/72/620710472.db2.gz SYBGUUKHKPWYGG-IFXJQAMLSA-N 0 3 313.397 3.022 20 10 DGCDHN CN(C)c1ccc([C@H](CNC(=O)C2(C)CCCC2)N(C)C)cc1 ZINC000891251062 617760441 /nfs/dbraw/zinc/76/04/41/617760441.db2.gz CUWDIXXBVHFDGJ-KRWDZBQOSA-N 0 3 317.477 3.052 20 10 DGCDHN COc1ccc(CN2CCC(C(F)(F)F)CC2)c(O)c1OC ZINC000891574106 617841181 /nfs/dbraw/zinc/84/11/81/617841181.db2.gz KGHXAUNKXPBXMV-UHFFFAOYSA-N 0 3 319.323 3.184 20 10 DGCDHN COc1ccc(CN2CCC[C@@H]2c2ccccn2)c(O)c1OC ZINC000891630139 617855984 /nfs/dbraw/zinc/85/59/84/617855984.db2.gz LOFUMKUQZBMVOR-OAHLLOKOSA-N 0 3 314.385 3.142 20 10 DGCDHN COc1ccc(CN2CCc3c(C)cccc3C2)c(O)c1OC ZINC000891944090 617930686 /nfs/dbraw/zinc/93/06/86/617930686.db2.gz XSWXHMBYINPUES-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN COc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)c(O)c1OC ZINC000892009682 617944234 /nfs/dbraw/zinc/94/42/34/617944234.db2.gz NMKLDQPPNKDBKV-LBPRGKRZSA-N 0 3 317.385 3.308 20 10 DGCDHN COc1ccc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1OC ZINC000892203088 617983618 /nfs/dbraw/zinc/98/36/18/617983618.db2.gz QEOZLTWSKRPIIB-KBXCAEBGSA-N 0 3 323.433 3.045 20 10 DGCDHN COc1ccc(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1OC ZINC000892203088 617983621 /nfs/dbraw/zinc/98/36/21/617983621.db2.gz QEOZLTWSKRPIIB-KBXCAEBGSA-N 0 3 323.433 3.045 20 10 DGCDHN COc1ccc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c([O-])c1OC ZINC000892203089 617983717 /nfs/dbraw/zinc/98/37/17/617983717.db2.gz QEOZLTWSKRPIIB-KDOFPFPSSA-N 0 3 323.433 3.045 20 10 DGCDHN COc1ccc(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c([O-])c1OC ZINC000892203089 617983721 /nfs/dbraw/zinc/98/37/21/617983721.db2.gz QEOZLTWSKRPIIB-KDOFPFPSSA-N 0 3 323.433 3.045 20 10 DGCDHN CN1CCCc2cc(CNCc3cn4ccnc4s3)ccc21 ZINC000892732164 618151088 /nfs/dbraw/zinc/15/10/88/618151088.db2.gz HDXNNIKOKHDDJS-UHFFFAOYSA-N 0 3 312.442 3.068 20 10 DGCDHN COc1cccc(CNCc2c(C)nn(C(C)C)c2C)c1O ZINC000894457429 618338959 /nfs/dbraw/zinc/33/89/59/618338959.db2.gz AFPWEHHRIXZUFC-UHFFFAOYSA-N 0 3 303.406 3.085 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(Cl)c1 ZINC000840945892 618619243 /nfs/dbraw/zinc/61/92/43/618619243.db2.gz FELNHNXLAMFXCT-BBRMVZONSA-N 0 3 308.853 3.413 20 10 DGCDHN COc1cc(CN(C)Cc2cc(C)cc(OC)c2O)ccc1O ZINC000893920615 618676022 /nfs/dbraw/zinc/67/60/22/618676022.db2.gz UUXKJVAAMGXMNJ-UHFFFAOYSA-N 0 3 317.385 3.055 20 10 DGCDHN Cc1ccnc(N)c1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000893948329 618682001 /nfs/dbraw/zinc/68/20/01/618682001.db2.gz TWONGJUAVZNECL-UHFFFAOYSA-N 0 3 312.461 3.449 20 10 DGCDHN COc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c1OC ZINC000894140236 618718981 /nfs/dbraw/zinc/71/89/81/618718981.db2.gz BAHIXMHHTCAAGH-KOLCDFICSA-N 0 3 319.323 3.182 20 10 DGCDHN C[C@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000895852635 618842092 /nfs/dbraw/zinc/84/20/92/618842092.db2.gz YJPYUWWVWUCLMC-HSBZDZAISA-N 0 3 320.433 3.346 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000896810591 618964311 /nfs/dbraw/zinc/96/43/11/618964311.db2.gz WVYJBYRELMMVDV-BXUZGUMPSA-N 0 3 303.324 3.290 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897269605 619039795 /nfs/dbraw/zinc/03/97/95/619039795.db2.gz KIYVAKJOZSQDJQ-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897269605 619039796 /nfs/dbraw/zinc/03/97/96/619039796.db2.gz KIYVAKJOZSQDJQ-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(O)c(CNCc2cnn(CC3CCC3)c2)c1 ZINC000897433628 619119107 /nfs/dbraw/zinc/11/91/07/619119107.db2.gz ZAHXVIBHGUTSDJ-UHFFFAOYSA-N 0 3 315.417 3.077 20 10 DGCDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000897466618 619130949 /nfs/dbraw/zinc/13/09/49/619130949.db2.gz YFUIQGDPCJHNDF-LLVKDONJSA-N 0 3 304.321 3.333 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC000926914743 619248314 /nfs/dbraw/zinc/24/83/14/619248314.db2.gz JAZJYSNJDPWIOL-OUCADQQQSA-N 0 3 315.335 3.469 20 10 DGCDHN CCO[C@H](C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-])CN(C)C ZINC000926959557 619252705 /nfs/dbraw/zinc/25/27/05/619252705.db2.gz JRQQXARSCDCGCF-UKRRQHHQSA-N 0 3 314.857 3.053 20 10 DGCDHN COc1cccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000898516211 619283075 /nfs/dbraw/zinc/28/30/75/619283075.db2.gz NZAZILZDBKMSMR-ZBFHGGJFSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000898516211 619283076 /nfs/dbraw/zinc/28/30/76/619283076.db2.gz NZAZILZDBKMSMR-ZBFHGGJFSA-N 0 3 305.418 3.039 20 10 DGCDHN CC[C@@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(C)cc1O ZINC000903063415 619709276 /nfs/dbraw/zinc/70/92/76/619709276.db2.gz FCGWCXGCYAMJEH-GDBMZVCRSA-N 0 3 302.422 3.267 20 10 DGCDHN C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000903238935 619742360 /nfs/dbraw/zinc/74/23/60/619742360.db2.gz BSPGPFCMNIKTHI-GFCCVEGCSA-N 0 3 306.406 3.100 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000903240532 619743041 /nfs/dbraw/zinc/74/30/41/619743041.db2.gz ZPSBTBPIKRHHET-ZDUSSCGKSA-N 0 3 320.433 3.409 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c([O-])c1 ZINC000903271305 619750003 /nfs/dbraw/zinc/75/00/03/619750003.db2.gz MGXHKJXFNXWGDB-KNBMTAEXSA-N 0 3 311.425 3.444 20 10 DGCDHN CC[C@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccc(C)cc1[O-] ZINC000903357571 619764563 /nfs/dbraw/zinc/76/45/63/619764563.db2.gz NUDONISHGNSPBC-FUHWJXTLSA-N 0 3 307.434 3.325 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(C)cc1[O-] ZINC000903389494 619770563 /nfs/dbraw/zinc/77/05/63/619770563.db2.gz LZOMCCUCHAFSSC-NVXWUHKLSA-N 0 3 305.418 3.079 20 10 DGCDHN C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1 ZINC000903447737 619778239 /nfs/dbraw/zinc/77/82/39/619778239.db2.gz BUDQXFCOXAWCEH-XJKSGUPXSA-N 0 3 318.490 3.163 20 10 DGCDHN c1cc(N2CCCC2)ncc1CNCc1ccc2c(c1)CCCO2 ZINC000921520542 620895875 /nfs/dbraw/zinc/89/58/75/620895875.db2.gz IAPXAQYUYTYNLV-UHFFFAOYSA-N 0 3 323.440 3.297 20 10 DGCDHN Cc1nn(C)c(CNCCCSc2nccs2)c1Cl ZINC000921754854 620944938 /nfs/dbraw/zinc/94/49/38/620944938.db2.gz ODGYRGNRWUZKFH-UHFFFAOYSA-N 0 3 316.883 3.110 20 10 DGCDHN C[C@H](NCc1cccc2[nH]c(=O)oc21)c1ccc(N(C)C)cc1 ZINC000922016153 620980927 /nfs/dbraw/zinc/98/09/27/620980927.db2.gz ZLHARWCACCYZPZ-LBPRGKRZSA-N 0 3 311.385 3.450 20 10 DGCDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccccc1 ZINC000858164685 621160571 /nfs/dbraw/zinc/16/05/71/621160571.db2.gz CTMRTTUJJPIHQX-KPZWWZAWSA-N 0 3 320.383 3.243 20 10 DGCDHN COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000858343118 621178439 /nfs/dbraw/zinc/17/84/39/621178439.db2.gz XVZCOUJKHQRBQT-IBGZPJMESA-N 0 3 311.429 3.397 20 10 DGCDHN COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000858473891 621195669 /nfs/dbraw/zinc/19/56/69/621195669.db2.gz RLFXELRJDNFZIM-ZWNOBZJWSA-N 0 3 309.793 3.266 20 10 DGCDHN CCO[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CC1 ZINC000859191132 621258734 /nfs/dbraw/zinc/25/87/34/621258734.db2.gz WQKXZRNMAFJBKC-IEBWSBKVSA-N 0 3 319.445 3.188 20 10 DGCDHN CCO[C@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CC1 ZINC000859191132 621258737 /nfs/dbraw/zinc/25/87/37/621258737.db2.gz WQKXZRNMAFJBKC-IEBWSBKVSA-N 0 3 319.445 3.188 20 10 DGCDHN Cc1ccc(O)c(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1 ZINC000839173693 621342603 /nfs/dbraw/zinc/34/26/03/621342603.db2.gz WHIRGGFNWYEVAA-GOEBONIOSA-N 0 3 319.426 3.125 20 10 DGCDHN COc1cccc(OC)c1CNCCCSc1nccs1 ZINC000753863446 621469323 /nfs/dbraw/zinc/46/93/23/621469323.db2.gz YCPSBALVBFNHJI-UHFFFAOYSA-N 0 3 324.471 3.432 20 10 DGCDHN COc1ccc(N2CCC(NCc3oc(C)nc3C)CC2)cc1 ZINC000862274469 621570363 /nfs/dbraw/zinc/57/03/63/621570363.db2.gz OOTNSGBRZRGUAP-UHFFFAOYSA-N 0 3 315.417 3.059 20 10 DGCDHN Oc1ccccc1CN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000862535100 621597835 /nfs/dbraw/zinc/59/78/35/621597835.db2.gz RKSNPNDJZDHZIH-UHFFFAOYSA-N 0 3 321.424 3.191 20 10 DGCDHN C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363663 621631444 /nfs/dbraw/zinc/63/14/44/621631444.db2.gz QCZQDTLRLTUVAM-KGLIPLIRSA-N 0 3 321.421 3.216 20 10 DGCDHN Cc1nn(C)c(C)c1CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756378453 621632989 /nfs/dbraw/zinc/63/29/89/621632989.db2.gz DTIYFVQZWKAVLV-ZUZCIYMTSA-N 0 3 317.408 3.262 20 10 DGCDHN CCN(CC)C(=O)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756415885 621636714 /nfs/dbraw/zinc/63/67/14/621636714.db2.gz LTNUOLDRJOCPGU-TZMCWYRMSA-N 0 3 322.424 3.318 20 10 DGCDHN COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(C)ccc1O ZINC000756711484 621659671 /nfs/dbraw/zinc/65/96/71/621659671.db2.gz LIRBZSWNJWOPHT-CZUORRHYSA-N 0 3 301.386 3.093 20 10 DGCDHN C[C@@H]([NH2+]CC1(CCO)CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000756763843 621662924 /nfs/dbraw/zinc/66/29/24/621662924.db2.gz AAABXBUWKYYQIJ-CQSZACIVSA-N 0 3 303.446 3.474 20 10 DGCDHN C[C@@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccccc1O ZINC000840797711 621694444 /nfs/dbraw/zinc/69/44/44/621694444.db2.gz WXZSWMHCTMKMDF-FUEDEBDSSA-N 0 3 319.426 3.378 20 10 DGCDHN C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccccc1[O-] ZINC000840797711 621694445 /nfs/dbraw/zinc/69/44/45/621694445.db2.gz WXZSWMHCTMKMDF-FUEDEBDSSA-N 0 3 319.426 3.378 20 10 DGCDHN COc1ccc(CN(C)Cc2cccc(OC)c2O)cc1F ZINC000119618976 621706826 /nfs/dbraw/zinc/70/68/26/621706826.db2.gz IUZHEWORIBIQAD-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN Cc1noc(C[C@H]([NH2+]Cc2ccccc2[O-])c2ccccc2)n1 ZINC000758617279 621791691 /nfs/dbraw/zinc/79/16/91/621791691.db2.gz KBNZCMZZGZOXFM-INIZCTEOSA-N 0 3 309.369 3.157 20 10 DGCDHN c1cncc([C@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000758633151 621792932 /nfs/dbraw/zinc/79/29/32/621792932.db2.gz RYOUEJIZUFQNRX-HXUWFJFHSA-N 0 3 323.440 3.159 20 10 DGCDHN CCN(CC)c1ccc(CNCc2ccc(=O)[nH]c2)cc1F ZINC000865456073 621926008 /nfs/dbraw/zinc/92/60/08/621926008.db2.gz JPAFJIZUIXTDHK-UHFFFAOYSA-N 0 3 303.381 3.062 20 10 DGCDHN C[NH+]1CCC2(CCCN2Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000789559848 625526270 /nfs/dbraw/zinc/52/62/70/625526270.db2.gz YMAHEPWESQVZEE-UHFFFAOYSA-N 0 3 312.816 3.245 20 10 DGCDHN CCC1([NH+]2CCCCC2)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000881626017 625526931 /nfs/dbraw/zinc/52/69/31/625526931.db2.gz CFDCPEGDZNJAGX-UHFFFAOYSA-N 0 3 322.474 3.324 20 10 DGCDHN C[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000865712212 621981545 /nfs/dbraw/zinc/98/15/45/621981545.db2.gz YADMNMJLJUHEQE-IUODEOHRSA-N 0 3 316.367 3.078 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c1[O-] ZINC000761206550 621994132 /nfs/dbraw/zinc/99/41/32/621994132.db2.gz KWCNJZHLKWFZFC-CJNGLKHVSA-N 0 3 313.825 3.347 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2CCC(OC)CC2)c1[O-] ZINC000761216705 621995224 /nfs/dbraw/zinc/99/52/24/621995224.db2.gz WKPNPIKHFSVSFC-UHFFFAOYSA-N 0 3 313.825 3.349 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(C)cc1[O-] ZINC000866533370 622133698 /nfs/dbraw/zinc/13/36/98/622133698.db2.gz QKYVBZCSASDQTQ-NVXWUHKLSA-N 0 3 319.445 3.327 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C(F)(F)F)C1CCCC1 ZINC000763834287 622164436 /nfs/dbraw/zinc/16/44/36/622164436.db2.gz LBNRBBXAJDHYLS-CQSZACIVSA-N 0 3 303.324 3.060 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C(F)(F)F)C1CCCC1 ZINC000763834287 622164437 /nfs/dbraw/zinc/16/44/37/622164437.db2.gz LBNRBBXAJDHYLS-CQSZACIVSA-N 0 3 303.324 3.060 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000764984844 622237673 /nfs/dbraw/zinc/23/76/73/622237673.db2.gz ZIVPCQCYNNTCQE-QGZVFWFLSA-N 0 3 321.804 3.052 20 10 DGCDHN CCN(CC)C(=O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765331561 622259854 /nfs/dbraw/zinc/25/98/54/622259854.db2.gz FFBBSDAMEOPKST-INIZCTEOSA-N 0 3 317.477 3.196 20 10 DGCDHN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000765359776 622260722 /nfs/dbraw/zinc/26/07/22/622260722.db2.gz YLHPMEQQQWLXMV-WBVHZDCISA-N 0 3 323.440 3.209 20 10 DGCDHN CCOc1ccc(O)c(CN(C)Cc2cccc(OC)c2)c1 ZINC000768162372 622442587 /nfs/dbraw/zinc/44/25/87/622442587.db2.gz CWMBKJZEOOMUJJ-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccsc1)[C@H](O)CO2 ZINC000768439703 622456234 /nfs/dbraw/zinc/45/62/34/622456234.db2.gz MRXKUCYNPBEAKL-GOEBONIOSA-N 0 3 317.410 3.217 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccsc1)[C@H](O)CO2 ZINC000768439703 622456236 /nfs/dbraw/zinc/45/62/36/622456236.db2.gz MRXKUCYNPBEAKL-GOEBONIOSA-N 0 3 317.410 3.217 20 10 DGCDHN COc1cc(O)c(CN2CCC[C@@H]2c2cccnc2)cc1OC ZINC000768441543 622456448 /nfs/dbraw/zinc/45/64/48/622456448.db2.gz JKWHIROKAUQZAI-OAHLLOKOSA-N 0 3 314.385 3.142 20 10 DGCDHN CCCCC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462145 622458172 /nfs/dbraw/zinc/45/81/72/622458172.db2.gz JXWSSEGVQGHWAD-YOEHRIQHSA-N 0 3 305.418 3.363 20 10 DGCDHN CCCCC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462145 622458174 /nfs/dbraw/zinc/45/81/74/622458174.db2.gz JXWSSEGVQGHWAD-YOEHRIQHSA-N 0 3 305.418 3.363 20 10 DGCDHN COc1cccc(-c2n[nH]cc2C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000768872299 622482010 /nfs/dbraw/zinc/48/20/10/622482010.db2.gz GSLXLKBSHMWMMH-UHFFFAOYSA-N 0 3 323.396 3.423 20 10 DGCDHN COc1cccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000768872299 622482011 /nfs/dbraw/zinc/48/20/11/622482011.db2.gz GSLXLKBSHMWMMH-UHFFFAOYSA-N 0 3 323.396 3.423 20 10 DGCDHN CCOc1ccc(CN(C)Cc2ccc(OC)c(O)c2)c(O)c1 ZINC000769018667 622492656 /nfs/dbraw/zinc/49/26/56/622492656.db2.gz XAZMPIANILIZAE-UHFFFAOYSA-N 0 3 317.385 3.137 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCN(C)c3ccccc3C2)c([O-])c1 ZINC000769319937 622517198 /nfs/dbraw/zinc/51/71/98/622517198.db2.gz FUXFQTODFHPYSR-UHFFFAOYSA-N 0 3 312.413 3.243 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCN(C)c3ccccc3C2)c([O-])c1 ZINC000769319937 622517199 /nfs/dbraw/zinc/51/71/99/622517199.db2.gz FUXFQTODFHPYSR-UHFFFAOYSA-N 0 3 312.413 3.243 20 10 DGCDHN C[N@H+](CCn1cccn1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769404897 622525132 /nfs/dbraw/zinc/52/51/32/622525132.db2.gz USMPEQOCTCWCQX-UHFFFAOYSA-N 0 3 307.397 3.388 20 10 DGCDHN C[N@@H+](CCn1cccn1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769404897 622525136 /nfs/dbraw/zinc/52/51/36/622525136.db2.gz USMPEQOCTCWCQX-UHFFFAOYSA-N 0 3 307.397 3.388 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c([O-])c1 ZINC000769424932 622527130 /nfs/dbraw/zinc/52/71/30/622527130.db2.gz AJNIUSMARUSOKG-SFHVURJKSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c([O-])c1 ZINC000769424932 622527133 /nfs/dbraw/zinc/52/71/33/622527133.db2.gz AJNIUSMARUSOKG-SFHVURJKSA-N 0 3 315.413 3.346 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@](C)(C(=O)OC)C2)cc1F ZINC000769525310 622537970 /nfs/dbraw/zinc/53/79/70/622537970.db2.gz HIRCIJPQWHVHPH-GOSISDBHSA-N 0 3 322.424 3.057 20 10 DGCDHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000769686880 622549167 /nfs/dbraw/zinc/54/91/67/622549167.db2.gz KFXXZXAAMXTIAA-CHWSQXEVSA-N 0 3 308.422 3.174 20 10 DGCDHN CCOc1ccc(C[NH2+]CCSCC(F)(F)F)c([O-])c1 ZINC000769687874 622550073 /nfs/dbraw/zinc/55/00/73/622550073.db2.gz CDILPCPXCJUYGA-UHFFFAOYSA-N 0 3 309.353 3.176 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000770375002 622627040 /nfs/dbraw/zinc/62/70/40/622627040.db2.gz PPTGMSRIDAEECC-GDBMZVCRSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000770375002 622627043 /nfs/dbraw/zinc/62/70/43/622627043.db2.gz PPTGMSRIDAEECC-GDBMZVCRSA-N 0 3 305.418 3.039 20 10 DGCDHN COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000770511094 622641413 /nfs/dbraw/zinc/64/14/13/622641413.db2.gz ZVLOXKYWKMCZKF-UHFFFAOYSA-N 0 3 319.376 3.059 20 10 DGCDHN COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000770511094 622641416 /nfs/dbraw/zinc/64/14/16/622641416.db2.gz ZVLOXKYWKMCZKF-UHFFFAOYSA-N 0 3 319.376 3.059 20 10 DGCDHN C[C@@H](N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000771787955 622796372 /nfs/dbraw/zinc/79/63/72/622796372.db2.gz WAOGBTXMRBJRSB-OAHLLOKOSA-N 0 3 319.493 3.077 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1[O-] ZINC000872111279 622813443 /nfs/dbraw/zinc/81/34/43/622813443.db2.gz CAXZNUJAUDJVSI-NWDGAFQWSA-N 0 3 311.809 3.348 20 10 DGCDHN c1ccc([C@H]2CCN2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000771939304 622820975 /nfs/dbraw/zinc/82/09/75/622820975.db2.gz PUHFCWNJXOGHEB-HXUWFJFHSA-N 0 3 308.425 3.470 20 10 DGCDHN COc1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)cc1C ZINC000772950895 622956842 /nfs/dbraw/zinc/95/68/42/622956842.db2.gz CYUAPPNFMGVTSC-UHFFFAOYSA-N 0 3 306.450 3.034 20 10 DGCDHN CCCCCCN(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773014884 622967336 /nfs/dbraw/zinc/96/73/36/622967336.db2.gz MNPOLYWJPCGECR-MRXNPFEDSA-N 0 3 319.493 3.442 20 10 DGCDHN Cc1cc(O)c(CN2CCO[C@H](C(F)(F)F)CC2)cc1C ZINC000872813602 622984246 /nfs/dbraw/zinc/98/42/46/622984246.db2.gz LSJDXCBGOQWILE-AWEZNQCLSA-N 0 3 303.324 3.162 20 10 DGCDHN CCCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774483317 623151198 /nfs/dbraw/zinc/15/11/98/623151198.db2.gz JQNTXZDHFDTHIE-HUUCEWRRSA-N 0 3 305.466 3.098 20 10 DGCDHN C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC1CCOCC1 ZINC000124763186 623228523 /nfs/dbraw/zinc/22/85/23/623228523.db2.gz OGLVAONRURZWKB-UHFFFAOYSA-N 0 3 307.434 3.254 20 10 DGCDHN C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC1CCOCC1 ZINC000124763186 623228526 /nfs/dbraw/zinc/22/85/26/623228526.db2.gz OGLVAONRURZWKB-UHFFFAOYSA-N 0 3 307.434 3.254 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1[O-] ZINC000775136632 623234930 /nfs/dbraw/zinc/23/49/30/623234930.db2.gz MJSKRSOGEJGZQB-OAHLLOKOSA-N 0 3 324.424 3.479 20 10 DGCDHN C[C@@H](NCc1cnc(N(C)C)s1)c1ccc(N(C)C)cc1 ZINC000775365126 623260294 /nfs/dbraw/zinc/26/02/94/623260294.db2.gz UIEBJYTXIDBRND-GFCCVEGCSA-N 0 3 304.463 3.126 20 10 DGCDHN C[C@H](NCc1cnc(N(C)C)s1)c1ccc(N(C)C)cc1 ZINC000775365127 623260512 /nfs/dbraw/zinc/26/05/12/623260512.db2.gz UIEBJYTXIDBRND-LBPRGKRZSA-N 0 3 304.463 3.126 20 10 DGCDHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000775579837 623292521 /nfs/dbraw/zinc/29/25/21/623292521.db2.gz PQSUIANVDXXLES-ZNMIVQPWSA-N 0 3 320.433 3.218 20 10 DGCDHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000775579680 623292670 /nfs/dbraw/zinc/29/26/70/623292670.db2.gz PQSUIANVDXXLES-KFWWJZLASA-N 0 3 320.433 3.218 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C(=O)OC)C1)c1ccccc1[O-] ZINC000775579984 623292677 /nfs/dbraw/zinc/29/26/77/623292677.db2.gz RQHHXCHVSCQGFJ-YCPHGPKFSA-N 0 3 320.433 3.300 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+](CCO)CCc2ccccc2)c1[O-] ZINC000775696936 623316254 /nfs/dbraw/zinc/31/62/54/623316254.db2.gz RHYJEDUVVNYOMB-UHFFFAOYSA-N 0 3 319.832 3.391 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+](CCO)CCc2ccccc2)c1[O-] ZINC000775696936 623316259 /nfs/dbraw/zinc/31/62/59/623316259.db2.gz RHYJEDUVVNYOMB-UHFFFAOYSA-N 0 3 319.832 3.391 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1[O-] ZINC000775724652 623320007 /nfs/dbraw/zinc/32/00/07/623320007.db2.gz JGXOIMLXQLXRNR-HNNXBMFYSA-N 0 3 318.804 3.402 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c1[O-] ZINC000775724652 623320012 /nfs/dbraw/zinc/32/00/12/623320012.db2.gz JGXOIMLXQLXRNR-HNNXBMFYSA-N 0 3 318.804 3.402 20 10 DGCDHN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000775736008 623322350 /nfs/dbraw/zinc/32/23/50/623322350.db2.gz IVXZYFTUFVBNTA-KGLIPLIRSA-N 0 3 312.816 3.243 20 10 DGCDHN CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000775736008 623322354 /nfs/dbraw/zinc/32/23/54/623322354.db2.gz IVXZYFTUFVBNTA-KGLIPLIRSA-N 0 3 312.816 3.243 20 10 DGCDHN CC(C)N(C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000775833347 623339616 /nfs/dbraw/zinc/33/96/16/623339616.db2.gz BWVOWYAUNBGXNT-HNNXBMFYSA-N 0 3 305.466 3.049 20 10 DGCDHN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cc2c(cc1O)OCO2 ZINC000776012676 623363806 /nfs/dbraw/zinc/36/38/06/623363806.db2.gz IPWVUHSOKOGNNH-GXSJLCMTSA-N 0 3 317.307 3.284 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000776294752 623408108 /nfs/dbraw/zinc/40/81/08/623408108.db2.gz VHAZSSFJBGOICP-IBGZPJMESA-N 0 3 311.425 3.453 20 10 DGCDHN CCN(Cc1ccoc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876677828 623679367 /nfs/dbraw/zinc/67/93/67/623679367.db2.gz VVBXHPLOJSHOFO-UHFFFAOYSA-N 0 3 314.429 3.263 20 10 DGCDHN COc1ccc(OC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000778997070 623717641 /nfs/dbraw/zinc/71/76/41/623717641.db2.gz ZXCZIEGKHFARPB-UHFFFAOYSA-N 0 3 313.397 3.444 20 10 DGCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1COc2ccccc2O1 ZINC000778994924 623717900 /nfs/dbraw/zinc/71/79/00/623717900.db2.gz LIVORIBPCLJMIE-HNNXBMFYSA-N 0 3 317.360 3.193 20 10 DGCDHN CC[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1COc2ccccc2O1 ZINC000778994924 623717905 /nfs/dbraw/zinc/71/79/05/623717905.db2.gz LIVORIBPCLJMIE-HNNXBMFYSA-N 0 3 317.360 3.193 20 10 DGCDHN C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1cc(F)ccc1O ZINC000779081824 623728083 /nfs/dbraw/zinc/72/80/83/623728083.db2.gz DFIXNBBKECMBMD-GFCCVEGCSA-N 0 3 314.360 3.353 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H](C(N)=O)C1 ZINC000779204461 623741738 /nfs/dbraw/zinc/74/17/38/623741738.db2.gz SNUXNQGTOZJVAE-RDTXWAMCSA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H](C(N)=O)C1 ZINC000779204461 623741741 /nfs/dbraw/zinc/74/17/41/623741741.db2.gz SNUXNQGTOZJVAE-RDTXWAMCSA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@@H](C(N)=O)C1 ZINC000779204461 623741747 /nfs/dbraw/zinc/74/17/47/623741747.db2.gz SNUXNQGTOZJVAE-RDTXWAMCSA-N 0 3 324.424 3.145 20 10 DGCDHN CCN(CC)[C@@H](C[NH2+]Cc1c(C)cccc1[O-])c1ccco1 ZINC000876988284 623760411 /nfs/dbraw/zinc/76/04/11/623760411.db2.gz BEDHUAYKUGCFHW-INIZCTEOSA-N 0 3 302.418 3.466 20 10 DGCDHN [O-]c1c(CNC2CC[NH+](CC3CCCC3)CC2)ccc(F)c1F ZINC000876989913 623761048 /nfs/dbraw/zinc/76/10/48/623761048.db2.gz KFQXRVMMIGLLLF-UHFFFAOYSA-N 0 3 324.415 3.415 20 10 DGCDHN [O-]c1c(C[NH2+]C2CCN(CC3CCCC3)CC2)ccc(F)c1F ZINC000876989913 623761052 /nfs/dbraw/zinc/76/10/52/623761052.db2.gz KFQXRVMMIGLLLF-UHFFFAOYSA-N 0 3 324.415 3.415 20 10 DGCDHN Cc1ccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c([O-])c1 ZINC000877009357 623765193 /nfs/dbraw/zinc/76/51/93/623765193.db2.gz YAGHYNIDADQAAZ-UHFFFAOYSA-N 0 3 324.424 3.160 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1F ZINC000779432112 623769360 /nfs/dbraw/zinc/76/93/60/623769360.db2.gz KOWPMHVDHRIWMS-WMLDXEAASA-N 0 3 308.441 3.121 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)c([O-])c1 ZINC000877042084 623773840 /nfs/dbraw/zinc/77/38/40/623773840.db2.gz MGFZQALSIDRXOO-LJQANCHMSA-N 0 3 315.413 3.311 20 10 DGCDHN Cc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])n(C)n1 ZINC000790602355 625676480 /nfs/dbraw/zinc/67/64/80/625676480.db2.gz URGFJIMNLLKUQB-UHFFFAOYSA-N 0 3 307.397 3.391 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)c([O-])c1 ZINC000790637267 625681032 /nfs/dbraw/zinc/68/10/32/625681032.db2.gz WFWUTCGLFCZMLQ-UHFFFAOYSA-N 0 3 324.327 3.077 20 10 DGCDHN CCN(CC[NH2+]Cc1c(C)cccc1[O-])CCC(F)(F)F ZINC000877474988 623899663 /nfs/dbraw/zinc/89/96/63/623899663.db2.gz BKWDLILIQDFEGO-UHFFFAOYSA-N 0 3 304.356 3.065 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000877476510 623901237 /nfs/dbraw/zinc/90/12/37/623901237.db2.gz GJNGSYMHHCWZQS-HKUYNNGSSA-N 0 3 315.388 3.096 20 10 DGCDHN COCCCOc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877514333 623918288 /nfs/dbraw/zinc/91/82/88/623918288.db2.gz KCKWZFDSESQFAR-UHFFFAOYSA-N 0 3 315.413 3.406 20 10 DGCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cnc(C)nc2C)c1 ZINC000877532043 623928090 /nfs/dbraw/zinc/92/80/90/623928090.db2.gz BYHHNRNRMUCTNS-QWRGUYRKSA-N 0 3 301.390 3.219 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c([O-])c1 ZINC000877539459 623932362 /nfs/dbraw/zinc/93/23/62/623932362.db2.gz NMMKTCWDQPEJAS-KRWDZBQOSA-N 0 3 303.427 3.340 20 10 DGCDHN Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c([O-])c1 ZINC000877600314 623958037 /nfs/dbraw/zinc/95/80/37/623958037.db2.gz MGKITUMNZSNUKT-GOSISDBHSA-N 0 3 301.430 3.482 20 10 DGCDHN Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c([O-])c1 ZINC000877600314 623958043 /nfs/dbraw/zinc/95/80/43/623958043.db2.gz MGKITUMNZSNUKT-GOSISDBHSA-N 0 3 301.430 3.482 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000877602948 623959352 /nfs/dbraw/zinc/95/93/52/623959352.db2.gz AJSYMOAWVCFUGJ-ZIAGYGMSSA-N 0 3 322.449 3.482 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000877662923 623982584 /nfs/dbraw/zinc/98/25/84/623982584.db2.gz ZPPKDXGOMUPLBK-WBVHZDCISA-N 0 3 323.314 3.429 20 10 DGCDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc2c(cc1O)OCO2 ZINC000780791975 623985744 /nfs/dbraw/zinc/98/57/44/623985744.db2.gz DMDWHDPCIYZJJD-MWLCHTKSSA-N 0 3 317.307 3.284 20 10 DGCDHN C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1[O-] ZINC000783503104 624359007 /nfs/dbraw/zinc/35/90/07/624359007.db2.gz GQNWHHZELUSXGM-PBHICJAKSA-N 0 3 312.413 3.262 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1[O-] ZINC000805747643 624366311 /nfs/dbraw/zinc/36/63/11/624366311.db2.gz DPHJJQONTOSEJB-WFASDCNBSA-N 0 3 305.805 3.300 20 10 DGCDHN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1c([O-])cccc1OC)C2 ZINC000784623551 624560321 /nfs/dbraw/zinc/56/03/21/624560321.db2.gz NXWWWDYINRFAMD-HNNXBMFYSA-N 0 3 313.397 3.057 20 10 DGCDHN CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647704 624620929 /nfs/dbraw/zinc/62/09/29/624620929.db2.gz ITBYCNKAXDQJPK-KFWWJZLASA-N 0 3 304.434 3.222 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000879648547 624621525 /nfs/dbraw/zinc/62/15/25/624621525.db2.gz SWICOOPWZOVMNF-JLTOFOAXSA-N 0 3 324.424 3.310 20 10 DGCDHN CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650015 624622556 /nfs/dbraw/zinc/62/25/56/624622556.db2.gz XUPQGELEUCXTKD-CYBMUJFWSA-N 0 3 314.385 3.080 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879650063 624622889 /nfs/dbraw/zinc/62/28/89/624622889.db2.gz ZIVFGSXTDRHIGW-TZMCWYRMSA-N 0 3 321.804 3.136 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCCC1=CCCCC1 ZINC000879648728 624622965 /nfs/dbraw/zinc/62/29/65/624622965.db2.gz AVPRYRHQSNPAIF-HUUCEWRRSA-N 0 3 316.445 3.438 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)c1ccccc1[O-] ZINC000879650079 624623134 /nfs/dbraw/zinc/62/31/34/624623134.db2.gz ZXCQMSJMXKTYFX-BARDWOONSA-N 0 3 304.434 3.221 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879651344 624624298 /nfs/dbraw/zinc/62/42/98/624624298.db2.gz RRZVNLWXYBDNPS-DZKIICNBSA-N 0 3 304.434 3.080 20 10 DGCDHN COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879651436 624624416 /nfs/dbraw/zinc/62/44/16/624624416.db2.gz VRJUHOXNCRRVID-QWHCGFSZSA-N 0 3 314.385 3.079 20 10 DGCDHN Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])sc1C ZINC000879651281 624624794 /nfs/dbraw/zinc/62/47/94/624624794.db2.gz PXCNXJZHDWYRFN-WDEREUQCSA-N 0 3 319.430 3.143 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1[O-] ZINC000879653958 624626625 /nfs/dbraw/zinc/62/66/25/624626625.db2.gz ZAFJIQYJEYZTQL-YQQAZPJKSA-N 0 3 316.445 3.224 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N[C@H]1CCCC[C@H]1C ZINC000879653369 624626644 /nfs/dbraw/zinc/62/66/44/624626644.db2.gz PITCEMCBUKOSQC-HOSILWTGSA-N 0 3 304.434 3.126 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCc2ccccc21 ZINC000879652805 624626856 /nfs/dbraw/zinc/62/68/56/624626856.db2.gz IPNWASAOSJRRLV-KBPBESRZSA-N 0 3 310.397 3.021 20 10 DGCDHN CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652835 624626891 /nfs/dbraw/zinc/62/68/91/624626891.db2.gz ITBYCNKAXDQJPK-ZNMIVQPWSA-N 0 3 304.434 3.222 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(C)n(C)c2=O)cc1 ZINC000786939996 624966357 /nfs/dbraw/zinc/96/63/57/624966357.db2.gz XRTWUEPGWDIANS-OAHLLOKOSA-N 0 3 313.445 3.001 20 10 DGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(C)n(C)c2=O)cc1 ZINC000786939994 624966362 /nfs/dbraw/zinc/96/63/62/624966362.db2.gz XRTWUEPGWDIANS-HNNXBMFYSA-N 0 3 313.445 3.001 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)C2CCOCC2)c1[O-] ZINC000787331026 625001566 /nfs/dbraw/zinc/00/15/66/625001566.db2.gz COQYROQOJHHSIA-UHFFFAOYSA-N 0 3 313.825 3.349 20 10 DGCDHN C[NH+](C)CCN(Cc1c([O-])ccc(Cl)c1F)C1CCCC1 ZINC000792174578 625919686 /nfs/dbraw/zinc/91/96/86/625919686.db2.gz JQJCKBGJNBTMMX-UHFFFAOYSA-N 0 3 314.832 3.491 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000883085168 625922083 /nfs/dbraw/zinc/92/20/83/625922083.db2.gz KGOKKKSHFVCPSP-QWHCGFSZSA-N 0 3 324.415 3.413 20 10 DGCDHN [O-]c1cccc(Cl)c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000131165488 625958913 /nfs/dbraw/zinc/95/89/13/625958913.db2.gz OCLUALDBOSNEFW-CQSZACIVSA-N 0 3 308.853 3.353 20 10 DGCDHN COc1ccc(CNCc2ccc(C[S@](C)=O)cc2)cc1C ZINC000796526175 626058916 /nfs/dbraw/zinc/05/89/16/626058916.db2.gz JXSPRUMERNFASE-QFIPXVFZSA-N 0 3 317.454 3.172 20 10 DGCDHN COC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000797077235 626110887 /nfs/dbraw/zinc/11/08/87/626110887.db2.gz VMFPVYZXNAMLOI-GFCCVEGCSA-N 0 3 300.358 3.421 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c([O-])c1 ZINC000799735579 626326444 /nfs/dbraw/zinc/32/64/44/626326444.db2.gz ZLMFOXBEWUJSSG-CYBMUJFWSA-N 0 3 308.381 3.139 20 10 DGCDHN C[C@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)c1ccccc1[O-] ZINC000800503882 626365257 /nfs/dbraw/zinc/36/52/57/626365257.db2.gz ALHLIFQXVHHERF-DBTPVHCXSA-N 0 3 324.424 3.263 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(CC)CC ZINC000801599309 626411913 /nfs/dbraw/zinc/41/19/13/626411913.db2.gz JWCCXNSTWKPEIW-HNNXBMFYSA-N 0 3 306.450 3.251 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(CC)CC ZINC000801599309 626411914 /nfs/dbraw/zinc/41/19/14/626411914.db2.gz JWCCXNSTWKPEIW-HNNXBMFYSA-N 0 3 306.450 3.251 20 10 DGCDHN COc1ccc(O)c(CN2CC[C@](F)(c3ccccc3)C2)c1 ZINC000802656407 626565343 /nfs/dbraw/zinc/56/53/43/626565343.db2.gz KVNPHABMAYUCGG-GOSISDBHSA-N 0 3 301.361 3.472 20 10 DGCDHN COc1cccc(O)c1CN1CC[C@](F)(c2ccccc2)C1 ZINC000802656653 626565392 /nfs/dbraw/zinc/56/53/92/626565392.db2.gz NPYBILXQZVGYPS-GOSISDBHSA-N 0 3 301.361 3.472 20 10 DGCDHN COc1cccc(CN2CC[C@@](F)(c3ccccc3)C2)c1O ZINC000802656922 626565505 /nfs/dbraw/zinc/56/55/05/626565505.db2.gz SCEWVUCFQQIFNH-SFHVURJKSA-N 0 3 301.361 3.472 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccoc2)c2c1c(F)ccc2[O-] ZINC000883276986 626633884 /nfs/dbraw/zinc/63/38/84/626633884.db2.gz SELNELLLGWSGNY-OSAQELSMSA-N 0 3 319.376 3.113 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](OC)[C@H](C)C3)c2c1 ZINC000840127668 626790148 /nfs/dbraw/zinc/79/01/48/626790148.db2.gz TXNRUTFDYMFGIM-BFUOFWGJSA-N 0 3 315.413 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](OC)[C@H](C)C3)c2c1 ZINC000840127668 626790150 /nfs/dbraw/zinc/79/01/50/626790150.db2.gz TXNRUTFDYMFGIM-BFUOFWGJSA-N 0 3 315.413 3.411 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)COCC(C)C)c1[O-] ZINC000808679831 626848718 /nfs/dbraw/zinc/84/87/18/626848718.db2.gz BPHJZBNVLCGTDL-JSGCOSHPSA-N 0 3 315.841 3.038 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)c1[O-] ZINC000808683403 626849289 /nfs/dbraw/zinc/84/92/89/626849289.db2.gz FPUCSVFKHVHZOW-NEPJUHHUSA-N 0 3 305.809 3.426 20 10 DGCDHN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808682493 626849466 /nfs/dbraw/zinc/84/94/66/626849466.db2.gz RVYZWQWAJPTMNH-NWDGAFQWSA-N 0 3 312.841 3.309 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCSCCCO)c1[O-] ZINC000808692841 626850103 /nfs/dbraw/zinc/85/01/03/626850103.db2.gz VDAANUGJAATUGS-LLVKDONJSA-N 0 3 303.855 3.120 20 10 DGCDHN CCNC(=O)C1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCC1 ZINC000808715993 626853117 /nfs/dbraw/zinc/85/31/17/626853117.db2.gz HENAVWCIJOKNKN-GFCCVEGCSA-N 0 3 324.852 3.311 20 10 DGCDHN COc1cc(C[NH2+]Cc2ccccc2[O-])cc(Cl)c1OC ZINC000134237016 626865392 /nfs/dbraw/zinc/86/53/92/626865392.db2.gz RTPCUKUVDYHAKE-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN COc1ccc(C[NH2+]Cc2ccccc2[O-])cc1Br ZINC000134237349 626865485 /nfs/dbraw/zinc/86/54/85/626865485.db2.gz WUZXSUBSCCJXNL-UHFFFAOYSA-N 0 3 322.202 3.453 20 10 DGCDHN COc1ccc(CNCc2ccccc2O)c(Cl)c1OC ZINC000134451497 626878000 /nfs/dbraw/zinc/87/80/00/626878000.db2.gz VURPQTWMGGCYSW-UHFFFAOYSA-N 0 3 307.777 3.353 20 10 DGCDHN CO[C@H](C)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809717380 626940671 /nfs/dbraw/zinc/94/06/71/626940671.db2.gz GYZXLMUPQHAQIT-OAHLLOKOSA-N 0 3 315.413 3.438 20 10 DGCDHN CO[C@H](C)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809717380 626940673 /nfs/dbraw/zinc/94/06/73/626940673.db2.gz GYZXLMUPQHAQIT-OAHLLOKOSA-N 0 3 315.413 3.438 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1[O-] ZINC000810254764 626993121 /nfs/dbraw/zinc/99/31/21/626993121.db2.gz RATAAMQJJXUWJW-AAEUAGOBSA-N 0 3 305.809 3.367 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Cl)ccc1[O-] ZINC000810254764 626993123 /nfs/dbraw/zinc/99/31/23/626993123.db2.gz RATAAMQJJXUWJW-AAEUAGOBSA-N 0 3 305.809 3.367 20 10 DGCDHN Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C2 ZINC000810259813 626994675 /nfs/dbraw/zinc/99/46/75/626994675.db2.gz TVXISLYSXACOHX-WFASDCNBSA-N 0 3 301.361 3.494 20 10 DGCDHN Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C2 ZINC000810259812 626994695 /nfs/dbraw/zinc/99/46/95/626994695.db2.gz TVXISLYSXACOHX-SWLSCSKDSA-N 0 3 301.361 3.494 20 10 DGCDHN COc1ccc(N2CC[C@@H](NCc3ccc(Cl)cn3)C2)cc1 ZINC000886155653 627114281 /nfs/dbraw/zinc/11/42/81/627114281.db2.gz LGHXCBLNVYZPKB-OAHLLOKOSA-N 0 3 317.820 3.112 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccccc1[O-] ZINC000886764391 627201774 /nfs/dbraw/zinc/20/17/74/627201774.db2.gz RSPIALFMEBVIAU-YQYZPQCESA-N 0 3 305.418 3.160 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000811518814 627287199 /nfs/dbraw/zinc/28/71/99/627287199.db2.gz PEXSFYIWAVMKQO-ZWKOTPCHSA-N 0 3 317.429 3.324 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000811518814 627287202 /nfs/dbraw/zinc/28/72/02/627287202.db2.gz PEXSFYIWAVMKQO-ZWKOTPCHSA-N 0 3 317.429 3.324 20 10 DGCDHN Cc1cc(CN(C)[C@@H]2CCCc3c2cnn3C)ccc1N(C)C ZINC000815074244 627623170 /nfs/dbraw/zinc/62/31/70/627623170.db2.gz NEQMWYOBLKLCNY-GOSISDBHSA-N 0 3 312.461 3.304 20 10 DGCDHN Cc1cc(CN[C@@]2(CO)CCCc3ccccc32)ccc1N(C)C ZINC000815107102 627627705 /nfs/dbraw/zinc/62/77/05/627627705.db2.gz GCYKFHNXIQFXJA-OAQYLSRUSA-N 0 3 324.468 3.375 20 10 DGCDHN CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560715 627684898 /nfs/dbraw/zinc/68/48/98/627684898.db2.gz NYFNUEYFTAZFIK-NEPJUHHUSA-N 0 3 316.367 3.403 20 10 DGCDHN CN1CC[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815576534 627686475 /nfs/dbraw/zinc/68/64/75/627686475.db2.gz SHYCMXCRKFBHHF-HKUYNNGSSA-N 0 3 310.441 3.360 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000815580108 627687042 /nfs/dbraw/zinc/68/70/42/627687042.db2.gz CFOYSUDHZFXVRD-HRCADAONSA-N 0 3 318.461 3.307 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000816625066 627816591 /nfs/dbraw/zinc/81/65/91/627816591.db2.gz PYJGHCXJBSVNRC-KRWDZBQOSA-N 0 3 319.832 3.389 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000816625066 627816592 /nfs/dbraw/zinc/81/65/92/627816592.db2.gz PYJGHCXJBSVNRC-KRWDZBQOSA-N 0 3 319.832 3.389 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1[O-] ZINC000816638975 627818054 /nfs/dbraw/zinc/81/80/54/627818054.db2.gz CUHWLIWHKJTTJJ-SECBINFHSA-N 0 3 308.765 3.006 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCCCN1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817950306 627972687 /nfs/dbraw/zinc/97/26/87/627972687.db2.gz SJVPYWCPUKNSDU-VHSXEESVSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@H](NC[C@H]1CCCC[NH2+]1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817950306 627972689 /nfs/dbraw/zinc/97/26/89/627972689.db2.gz SJVPYWCPUKNSDU-VHSXEESVSA-N 0 3 303.233 3.492 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817969231 627978954 /nfs/dbraw/zinc/97/89/54/627978954.db2.gz AAWDAGMUEPNMFB-RVBZMBCESA-N 0 3 303.233 3.348 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817970893 627979602 /nfs/dbraw/zinc/97/96/02/627979602.db2.gz GVZLGZJOHYTVPK-MXWKQRLJSA-N 0 3 302.340 3.202 20 10 DGCDHN C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000926919818 627981275 /nfs/dbraw/zinc/98/12/75/627981275.db2.gz GCACKIPEOJFHFH-CMPLNLGQSA-N 0 3 320.330 3.209 20 10 DGCDHN CC[C@](C)(C(=O)OC)N(Cc1cc(C)ccc1O)CC1CC1 ZINC000822503540 628458098 /nfs/dbraw/zinc/45/80/98/628458098.db2.gz IHWYNCNYAVTNSX-GOSISDBHSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1cnccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823729394 628591038 /nfs/dbraw/zinc/59/10/38/628591038.db2.gz FMIJDTWJORZIPJ-MRXNPFEDSA-N 0 3 311.429 3.077 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c([O-])c1 ZINC000824520878 628666531 /nfs/dbraw/zinc/66/65/31/628666531.db2.gz DBCDNQXTTZUHEX-UHFFFAOYSA-N 0 3 319.445 3.308 20 10 DGCDHN CCC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000824620258 628677421 /nfs/dbraw/zinc/67/74/21/628677421.db2.gz GUQNGDXHJAMIMR-UHFFFAOYSA-N 0 3 300.196 3.196 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824715522 628686525 /nfs/dbraw/zinc/68/65/25/628686525.db2.gz LDGNIECBXXPLRB-XHSDSOJGSA-N 0 3 309.837 3.479 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824715522 628686526 /nfs/dbraw/zinc/68/65/26/628686526.db2.gz LDGNIECBXXPLRB-XHSDSOJGSA-N 0 3 309.837 3.479 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000824751582 628689500 /nfs/dbraw/zinc/68/95/00/628689500.db2.gz ZWHOMVINWZJJET-AWEZNQCLSA-N 0 3 305.418 3.230 20 10 DGCDHN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000827340546 628950621 /nfs/dbraw/zinc/95/06/21/628950621.db2.gz GGRZLDBBLRWLQG-UHFFFAOYSA-N 0 3 323.440 3.066 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000827377026 628954021 /nfs/dbraw/zinc/95/40/21/628954021.db2.gz NQCIHSPVJCQVSQ-QGZVFWFLSA-N 0 3 305.418 3.182 20 10 DGCDHN COc1cc(Br)cc(CN2CC[C@H]3C[C@H]3C2)c1O ZINC000827507092 628966354 /nfs/dbraw/zinc/96/63/54/628966354.db2.gz UIJBBGPRNZTWAF-UWVGGRQHSA-N 0 3 312.207 3.005 20 10 DGCDHN COc1cccc(OCCC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834664875 629750833 /nfs/dbraw/zinc/75/08/33/629750833.db2.gz XBHGUOSCYROCBP-KRWDZBQOSA-N 0 3 313.397 3.447 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C(=O)N1c1ccccc1 ZINC000834674004 629754400 /nfs/dbraw/zinc/75/44/00/629754400.db2.gz ZRYXPKHPKLVGLQ-KBRIMQKVSA-N 0 3 322.408 3.163 20 10 DGCDHN Oc1cccc2c1[C@H](NCc1cccnc1OCC(F)F)CC2 ZINC000834696924 629760224 /nfs/dbraw/zinc/76/02/24/629760224.db2.gz BRZXFHBNOZHPKG-CYBMUJFWSA-N 0 3 320.339 3.208 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@H]2CCCc3c2cnn3C)cc1 ZINC000835036391 629831072 /nfs/dbraw/zinc/83/10/72/629831072.db2.gz PBGNKMOZLPTHEP-XFHJGTJQSA-N 0 3 310.445 3.167 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@@H](CO)c2ccsc2)cc1 ZINC000835045864 629834572 /nfs/dbraw/zinc/83/45/72/629834572.db2.gz DXTJIUVDJCYQKE-LIMHQNJXSA-N 0 3 302.443 3.151 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000835051833 629836850 /nfs/dbraw/zinc/83/68/50/629836850.db2.gz KIQLLCKDSYVLKW-HZQHCPKGSA-N 0 3 323.440 3.314 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000840879642 630371170 /nfs/dbraw/zinc/37/11/70/630371170.db2.gz FRBMBTHYJPWVFS-AAEUAGOBSA-N 0 3 307.340 3.097 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000840913867 630376959 /nfs/dbraw/zinc/37/69/59/630376959.db2.gz KFDZLVATXKNRLC-AWEZNQCLSA-N 0 3 308.853 3.414 20 10 DGCDHN Cc1cc([O-])c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000840918236 630378034 /nfs/dbraw/zinc/37/80/34/630378034.db2.gz QJQXAHMNLQNQGP-AWEZNQCLSA-N 0 3 308.853 3.272 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1[O-] ZINC000840960914 630386567 /nfs/dbraw/zinc/38/65/67/630386567.db2.gz NUFOFFIVFBKRLX-QLJPJBMISA-N 0 3 313.825 3.347 20 10 DGCDHN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000841089237 630406706 /nfs/dbraw/zinc/40/67/06/630406706.db2.gz JOOYEGMBUALZRO-LBPRGKRZSA-N 0 3 315.244 3.463 20 10 DGCDHN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H](c1ccccc1)N(C)C ZINC000841296686 630424500 /nfs/dbraw/zinc/42/45/00/630424500.db2.gz XEKVRXUIDHCAAQ-SUMWQHHRSA-N 0 3 312.417 3.082 20 10 DGCDHN Cc1cc(O)c(CN[C@@H](CCO)c2ccccc2F)cc1C ZINC000842763959 630573359 /nfs/dbraw/zinc/57/33/59/630573359.db2.gz PLEBAYCJCVFSJK-KRWDZBQOSA-N 0 3 303.377 3.361 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)c2c1c(F)ccc2[O-] ZINC000842894846 630591314 /nfs/dbraw/zinc/59/13/14/630591314.db2.gz IRCKGJAZZSZERU-ABAIWWIYSA-N 0 3 301.361 3.362 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCc1cccs1 ZINC000842907927 630592800 /nfs/dbraw/zinc/59/28/00/630592800.db2.gz IJPOVEKZYUSWRF-WFASDCNBSA-N 0 3 318.442 3.199 20 10 DGCDHN [O-]c1ccc(Cl)c(F)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843046654 630608219 /nfs/dbraw/zinc/60/82/19/630608219.db2.gz YAUCBILNYDGJSE-AWEZNQCLSA-N 0 3 312.816 3.149 20 10 DGCDHN C[NH2+]CCC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000843363492 630649915 /nfs/dbraw/zinc/64/99/15/630649915.db2.gz NDJBGNNFFJQLAW-UHFFFAOYSA-N 0 3 324.852 3.070 20 10 DGCDHN CCOc1cccc(CN2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC000843435176 630658805 /nfs/dbraw/zinc/65/88/05/630658805.db2.gz QRTKNBHOPSKPOC-CQSZACIVSA-N 0 3 305.418 3.324 20 10 DGCDHN COC(=O)CC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000846026584 631206711 /nfs/dbraw/zinc/20/67/11/631206711.db2.gz GDNACISOMRYIDJ-UHFFFAOYSA-N 0 3 311.381 3.245 20 10 DGCDHN CCCOc1ncccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846143474 631211946 /nfs/dbraw/zinc/21/19/46/631211946.db2.gz IVUNVDTVPDIXFE-ZDUSSCGKSA-N 0 3 316.401 3.435 20 10 DGCDHN COc1cccc([C@@H](C)NCc2nc3cc(C)ccc3[nH]2)c1O ZINC000846149413 631212285 /nfs/dbraw/zinc/21/22/85/631212285.db2.gz ZABPAJKOMKUCNV-GFCCVEGCSA-N 0 3 311.385 3.436 20 10 DGCDHN COc1cccc([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)c1O ZINC000846149413 631212286 /nfs/dbraw/zinc/21/22/86/631212286.db2.gz ZABPAJKOMKUCNV-GFCCVEGCSA-N 0 3 311.385 3.436 20 10 DGCDHN CCc1noc(CC)c1CN[C@H](C)c1cccc(OC)c1O ZINC000846151325 631212329 /nfs/dbraw/zinc/21/23/29/631212329.db2.gz WEHILGKLNBYAAX-LLVKDONJSA-N 0 3 304.390 3.364 20 10 DGCDHN COc1cccc([C@H](C)N[C@@H](C)c2ccncc2OC)c1O ZINC000846164105 631213028 /nfs/dbraw/zinc/21/30/28/631213028.db2.gz MQAOFTAQKAMFFG-RYUDHWBXSA-N 0 3 302.374 3.216 20 10 DGCDHN C[C@H](O)[C@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000846181559 631213918 /nfs/dbraw/zinc/21/39/18/631213918.db2.gz CFEARDPGCRTEHO-GYOIFBIXSA-N 0 3 301.361 3.230 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000846186536 631214198 /nfs/dbraw/zinc/21/41/98/631214198.db2.gz GXHFRWCPCPPBRF-LXIYXOSZSA-N 0 3 303.377 3.478 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c([O-])c1 ZINC000846216015 631215119 /nfs/dbraw/zinc/21/51/19/631215119.db2.gz OVLCCZFHZOVROP-CJNGLKHVSA-N 0 3 312.413 3.128 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cnc(Cl)c(F)c2)c1 ZINC000846844782 631326155 /nfs/dbraw/zinc/32/61/55/631326155.db2.gz OVGCFEFUOOGNGF-VIFPVBQESA-N 0 3 310.756 3.439 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1[O-] ZINC000848928013 631791869 /nfs/dbraw/zinc/79/18/69/631791869.db2.gz UCLPATMISMCRMO-JKSUJKDBSA-N 0 3 308.853 3.461 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2cc(COC)cs2)c([O-])c1 ZINC000850378235 632132238 /nfs/dbraw/zinc/13/22/38/632132238.db2.gz ZBRQMTAVABMVMA-UHFFFAOYSA-N 0 3 307.415 3.289 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000850388278 632135966 /nfs/dbraw/zinc/13/59/66/632135966.db2.gz KQSZXONWBVNWOT-MOPGFXCFSA-N 0 3 309.409 3.452 20 10 DGCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3ccc(F)cn3)C2)cc1 ZINC000850489649 632168711 /nfs/dbraw/zinc/16/87/11/632168711.db2.gz WGSKIIBSVLBGFD-HIFRSBDPSA-N 0 3 315.392 3.159 20 10 DGCDHN COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CCOCC1 ZINC000850493424 632170968 /nfs/dbraw/zinc/17/09/68/632170968.db2.gz HLZZILOLODHXAZ-DFBGVHRSSA-N 0 3 323.408 3.111 20 10 DGCDHN CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1)c1ccc(C)cc1[O-] ZINC000850501812 632173364 /nfs/dbraw/zinc/17/33/64/632173364.db2.gz POIIIHFHXCFGCK-XYVMCAHJSA-N 0 3 321.461 3.307 20 10 DGCDHN CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1)c1ccc(C)cc1[O-] ZINC000850501811 632173394 /nfs/dbraw/zinc/17/33/94/632173394.db2.gz POIIIHFHXCFGCK-UOVPBQLFSA-N 0 3 321.461 3.307 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1[O-] ZINC000850502421 632173464 /nfs/dbraw/zinc/17/34/64/632173464.db2.gz WCHIOVIJVMMJHY-HZPDHXFCSA-N 0 3 310.397 3.021 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2c(C3CCC3)cnn2C)c1 ZINC000850550294 632190111 /nfs/dbraw/zinc/19/01/11/632190111.db2.gz MJYZVOWAWSDGGF-LBPRGKRZSA-N 0 3 315.417 3.253 20 10 DGCDHN CNC(=O)CC1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CCCCC1 ZINC000850558052 632192686 /nfs/dbraw/zinc/19/26/86/632192686.db2.gz ZCZAUERZRLMLFY-HNNXBMFYSA-N 0 3 318.461 3.438 20 10 DGCDHN C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000850572133 632198475 /nfs/dbraw/zinc/19/84/75/632198475.db2.gz BLNMGQLIYQCCLZ-VBHSOAQHSA-N 0 3 303.377 3.347 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c([O-])c1 ZINC000850573906 632199322 /nfs/dbraw/zinc/19/93/22/632199322.db2.gz STPSBAAEZQTJBF-OAHLLOKOSA-N 0 3 318.461 3.486 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CCN2CCc3ccccc3C2)c([O-])c1 ZINC000184923862 660195311 /nfs/dbraw/zinc/19/53/11/660195311.db2.gz WUIQHOAHGDSOBL-INIZCTEOSA-N 0 3 310.441 3.410 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(F)ccc1[O-] ZINC000186095362 660266267 /nfs/dbraw/zinc/26/62/67/660266267.db2.gz IBPJDTUOGOCYCO-WSVYEEACSA-N 0 3 307.390 3.120 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](c1ccccc1)N(C)C ZINC000186457405 660443587 /nfs/dbraw/zinc/44/35/87/660443587.db2.gz WESWTOPVHCWSRG-SCLBCKFNSA-N 0 3 302.393 3.312 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1[O-] ZINC000186750552 660573085 /nfs/dbraw/zinc/57/30/85/660573085.db2.gz BKRQDCHWJYWJSA-CJNGLKHVSA-N 0 3 320.433 3.300 20 10 DGCDHN Cc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)n[nH]1 ZINC000792992223 660998934 /nfs/dbraw/zinc/99/89/34/660998934.db2.gz NGRVBZKFNXVLIN-UHFFFAOYSA-N 0 3 312.339 3.093 20 10 DGCDHN COc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000793232574 661015569 /nfs/dbraw/zinc/01/55/69/661015569.db2.gz YUPALNDFGJAHJW-MWLCHTKSSA-N 0 3 319.323 3.182 20 10 DGCDHN COc1ccc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)c([O-])c1 ZINC000793386410 661029139 /nfs/dbraw/zinc/02/91/39/661029139.db2.gz PGEMPDZYXXCZDP-HNNXBMFYSA-N 0 3 313.397 3.057 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cnc(C3CCC3)s2)c([O-])c1 ZINC000793391364 661029473 /nfs/dbraw/zinc/02/94/73/661029473.db2.gz WKVHXDAKNHZYKR-UHFFFAOYSA-N 0 3 304.415 3.415 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1[O-] ZINC000794791928 661105293 /nfs/dbraw/zinc/10/52/93/661105293.db2.gz CQBMMUKKBFGFRA-SJLPKXTDSA-N 0 3 320.477 3.098 20 10 DGCDHN CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(C)cc1[O-] ZINC000794789961 661105347 /nfs/dbraw/zinc/10/53/47/661105347.db2.gz BCMAQTRKCXMAFS-KRWDZBQOSA-N 0 3 301.434 3.334 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794795403 661105792 /nfs/dbraw/zinc/10/57/92/661105792.db2.gz SYZUJUUJCJJKDM-ZWKOTPCHSA-N 0 3 320.477 3.098 20 10 DGCDHN CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(C)cc1[O-] ZINC000794802592 661106278 /nfs/dbraw/zinc/10/62/78/661106278.db2.gz GDIMKKPOLOSILB-OAHLLOKOSA-N 0 3 312.404 3.471 20 10 DGCDHN COc1cc(O)c(CN2Cc3ccccc3C[C@@H]2C)cc1OC ZINC000179445047 655893029 /nfs/dbraw/zinc/89/30/29/655893029.db2.gz GMMHCVTZOFTGQL-ZDUSSCGKSA-N 0 3 313.397 3.356 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc2nccn21 ZINC000183443944 656112993 /nfs/dbraw/zinc/11/29/93/656112993.db2.gz FCDFPZXYKLFVFZ-UHFFFAOYSA-N 0 3 308.429 3.422 20 10 DGCDHN COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000187992887 656142820 /nfs/dbraw/zinc/14/28/20/656142820.db2.gz CXXIPGMPMBGGCH-KRWDZBQOSA-N 0 3 303.377 3.221 20 10 DGCDHN COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000187992887 656142822 /nfs/dbraw/zinc/14/28/22/656142822.db2.gz CXXIPGMPMBGGCH-KRWDZBQOSA-N 0 3 303.377 3.221 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000125264816 656269129 /nfs/dbraw/zinc/26/91/29/656269129.db2.gz PMKHTZLUQKMGIG-UHFFFAOYSA-N 0 3 314.404 3.470 20 10 DGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1(CC)CC ZINC000236879137 656947664 /nfs/dbraw/zinc/94/76/64/656947664.db2.gz SQAQWNGWIIWHPU-IAGOWNOFSA-N 0 3 307.434 3.474 20 10 DGCDHN CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[O-] ZINC000320188096 657430617 /nfs/dbraw/zinc/43/06/17/657430617.db2.gz OZGKWRAXXFYHRQ-RISCZKNCSA-N 0 3 311.385 3.364 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000303268028 657526473 /nfs/dbraw/zinc/52/64/73/657526473.db2.gz FVYOKSWSBHEVBD-PBHICJAKSA-N 0 3 314.404 3.456 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1[O-] ZINC000305789764 658046586 /nfs/dbraw/zinc/04/65/86/658046586.db2.gz ZNORINLQPLTBOS-GDBMZVCRSA-N 0 3 307.340 3.445 20 10 DGCDHN CCN(Cc1c(C)nn(C)c1C)Cc1ccc(N(C)C)cc1 ZINC000157575823 659070400 /nfs/dbraw/zinc/07/04/00/659070400.db2.gz WTZVEXYYSHYQHZ-UHFFFAOYSA-N 0 3 300.450 3.125 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](SC)C2)c1[O-] ZINC000230934991 659357523 /nfs/dbraw/zinc/35/75/23/659357523.db2.gz QHPLAPLMDYHWSZ-VXGBXAGGSA-N 0 3 301.839 3.428 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000179879581 659945321 /nfs/dbraw/zinc/94/53/21/659945321.db2.gz WVBLZSHYOPDSAR-KBPBESRZSA-N 0 3 320.433 3.442 20 10 DGCDHN CCOc1ccc(O)c(CN2CCc3c(cccc3OC)C2)c1 ZINC000180782801 659970751 /nfs/dbraw/zinc/97/07/51/659970751.db2.gz XWSVEQPWPUEPHA-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN CC[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183133928 660102661 /nfs/dbraw/zinc/10/26/61/660102661.db2.gz ALJSYSXQBUMMNJ-IBGZPJMESA-N 0 3 315.413 3.222 20 10 DGCDHN C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1[O-] ZINC000183405064 660110174 /nfs/dbraw/zinc/11/01/74/660110174.db2.gz FBKQEYSMCWRZOZ-OAHLLOKOSA-N 0 3 307.397 3.471 20 10 DGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000155303856 661845013 /nfs/dbraw/zinc/84/50/13/661845013.db2.gz KMENGOQLUMQJMJ-UONOGXRCSA-N 0 3 317.458 3.392 20 10 DGCDHN CC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000192873306 662113709 /nfs/dbraw/zinc/11/37/09/662113709.db2.gz CZTRUBARNKFUCP-MRXNPFEDSA-N 0 3 313.397 3.447 20 10 DGCDHN COCCO[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000193417204 662133523 /nfs/dbraw/zinc/13/35/23/662133523.db2.gz XOKBOKYKCROIOH-MRXNPFEDSA-N 0 3 315.413 3.173 20 10 DGCDHN COCCO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000193417204 662133525 /nfs/dbraw/zinc/13/35/25/662133525.db2.gz XOKBOKYKCROIOH-MRXNPFEDSA-N 0 3 315.413 3.173 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccc([S@](C)=O)cc1 ZINC000085324838 662207283 /nfs/dbraw/zinc/20/72/83/662207283.db2.gz RJTLZBVZSAFONN-JOCHJYFZSA-N 0 3 316.470 3.088 20 10 DGCDHN C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000248487062 662349392 /nfs/dbraw/zinc/34/93/92/662349392.db2.gz FWZQUXSFTPKREJ-MGPQQGTHSA-N 0 3 324.440 3.070 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)COC(C)C)c1[O-] ZINC000396353771 685227269 /nfs/dbraw/zinc/22/72/69/685227269.db2.gz GNTBQFLMKBVSKD-UHFFFAOYSA-N 0 3 301.814 3.347 20 10 DGCDHN C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000397733866 685231643 /nfs/dbraw/zinc/23/16/43/685231643.db2.gz FETQJMRVDSNFFO-NSHDSACASA-N 0 3 324.396 3.049 20 10 DGCDHN COc1ccc(CNC2(CNC(=O)c3ccccc3)CC2)cc1C ZINC001670739196 1176511179 /nfs/dbraw/zinc/51/11/79/1176511179.db2.gz XGGVEIFISVMSPE-UHFFFAOYSA-N 0 3 324.424 3.056 20 10 DGCDHN COc1ccc(CNC2(CNC(=O)[C@H](C)C(C)C)CC2)cc1C ZINC001670868634 1177381624 /nfs/dbraw/zinc/38/16/24/1177381624.db2.gz SQYFHIJWXYPUJF-OAHLLOKOSA-N 0 3 318.461 3.034 20 10 DGCDHN CC[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccccc1[O-] ZINC001335247581 1178877063 /nfs/dbraw/zinc/87/70/63/1178877063.db2.gz YVGQVWQLOLWETA-LBPRGKRZSA-N 0 3 313.323 3.385 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCS[C@@H](C)C2)c1[O-] ZINC001343288367 1179251715 /nfs/dbraw/zinc/25/17/15/1179251715.db2.gz UHDJSXKTTHWPMH-CABZTGNLSA-N 0 3 301.839 3.428 20 10 DGCDHN CN(C)c1cc(F)c(CN[C@H]2CCOC23CCCC3)cc1F ZINC001343321966 1179255890 /nfs/dbraw/zinc/25/58/90/1179255890.db2.gz YPUBVYPQFZETQV-INIZCTEOSA-N 0 3 310.388 3.222 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN(C)Cc1ccc2c(c1)OCO2 ZINC001462031580 1182898409 /nfs/dbraw/zinc/89/84/09/1182898409.db2.gz FQAMJMNXHZREKT-UHFFFAOYSA-N 0 3 312.413 3.422 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c([O-])c1 ZINC001462286410 1182933749 /nfs/dbraw/zinc/93/37/49/1182933749.db2.gz ZXZJJFGSVZOGSG-KRWDZBQOSA-N 0 3 321.804 3.186 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462443491 1182953588 /nfs/dbraw/zinc/95/35/88/1182953588.db2.gz RHVVPAVMTGMXFW-ZDUSSCGKSA-N 0 3 310.388 3.167 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462443491 1182953594 /nfs/dbraw/zinc/95/35/94/1182953594.db2.gz RHVVPAVMTGMXFW-ZDUSSCGKSA-N 0 3 310.388 3.167 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c([O-])c1 ZINC001462487384 1182961587 /nfs/dbraw/zinc/96/15/87/1182961587.db2.gz WLOGVSJAPNRNND-QGZVFWFLSA-N 0 3 307.434 3.394 20 10 DGCDHN Cc1ncsc1CNCc1ccc(N2CCSCC2)cc1 ZINC001473938904 1183833037 /nfs/dbraw/zinc/83/30/37/1183833037.db2.gz ZYDBJXQZDBKYPV-UHFFFAOYSA-N 0 3 319.499 3.295 20 10 DGCDHN COc1cc(C)c(CN2Cc3ccccc3O[C@@H](C)C2)c(O)c1 ZINC001474555745 1183939181 /nfs/dbraw/zinc/93/91/81/1183939181.db2.gz ZRLBWBWMZINHLN-AWEZNQCLSA-N 0 3 313.397 3.492 20 10 DGCDHN CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001474637535 1183953602 /nfs/dbraw/zinc/95/36/02/1183953602.db2.gz CUGAPYPKRCBDPC-MOPGFXCFSA-N 0 3 313.397 3.238 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC3(CCCCO3)CC2)c([O-])c1 ZINC001474678383 1183960676 /nfs/dbraw/zinc/96/06/76/1183960676.db2.gz AIDHMCNCCYGHBY-UHFFFAOYSA-N 0 3 305.418 3.244 20 10 DGCDHN C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ccccc1[O-] ZINC001560074794 1189275394 /nfs/dbraw/zinc/27/53/94/1189275394.db2.gz GOQMAVKHKNXDHD-JTQLQIEISA-N 0 3 322.767 3.474 20 10 DGCDHN CN(C)c1cc(F)c(CNCCN(C)c2ccccc2)cc1F ZINC001560259169 1189301102 /nfs/dbraw/zinc/30/11/02/1189301102.db2.gz CILNHTFHLHAJLA-UHFFFAOYSA-N 0 3 319.399 3.257 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c([O-])c1 ZINC001621203123 1193816399 /nfs/dbraw/zinc/81/63/99/1193816399.db2.gz ZXPOPZNZTVWLTH-QGZVFWFLSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c([O-])c1 ZINC001621203123 1193816402 /nfs/dbraw/zinc/81/64/02/1193816402.db2.gz ZXPOPZNZTVWLTH-QGZVFWFLSA-N 0 3 305.418 3.100 20 10 DGCDHN Cc1ccc(C[NH2+]CCc2ccc3c(c2)OCCCO3)c([O-])c1 ZINC001621526804 1193854614 /nfs/dbraw/zinc/85/46/14/1193854614.db2.gz BKMCWCCNYNPXOL-UHFFFAOYSA-N 0 3 313.397 3.194 20 10 DGCDHN CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001647040760 1195242639 /nfs/dbraw/zinc/24/26/39/1195242639.db2.gz WVMARBMLLVYZSB-CHWSQXEVSA-N 0 3 300.805 3.147 20 10 DGCDHN COc1cc(C)c(CN(C)Cc2ccc(OC)c(F)c2)c(O)c1 ZINC001651878022 1195519250 /nfs/dbraw/zinc/51/92/50/1195519250.db2.gz URFIBRAYDNXIBU-UHFFFAOYSA-N 0 3 319.376 3.489 20 10 DGCDHN COCC1(C[NH2+]Cc2c(C)cc(OC)cc2[O-])CCCCC1 ZINC001652590919 1195622429 /nfs/dbraw/zinc/62/24/29/1195622429.db2.gz PERUUCVKLABWDH-UHFFFAOYSA-N 0 3 307.434 3.396 20 10 DGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ncccc1F ZINC001652685328 1195636491 /nfs/dbraw/zinc/63/64/91/1195636491.db2.gz ZRUOMRNUIRBORX-CQSZACIVSA-N 0 3 301.409 3.316 20 10 DGCDHN CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC001655693764 1195951762 /nfs/dbraw/zinc/95/17/62/1195951762.db2.gz RXDYACXKHRBYNI-ONEGZZNKSA-N 0 3 300.377 3.400 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCC3(CCC3)O2)cc1F ZINC001656844371 1196075449 /nfs/dbraw/zinc/07/54/49/1196075449.db2.gz DGZWRDFGRZGYSP-ZDUSSCGKSA-N 0 3 310.388 3.222 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001657230456 1196120442 /nfs/dbraw/zinc/12/04/42/1196120442.db2.gz ZZDBQLOLUXCZOS-SJKOYZFVSA-N 0 3 322.399 3.119 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001657230456 1196120449 /nfs/dbraw/zinc/12/04/49/1196120449.db2.gz ZZDBQLOLUXCZOS-SJKOYZFVSA-N 0 3 322.399 3.119 20 10 DGCDHN Cc1noc(-c2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc2)n1 ZINC001657674268 1196168450 /nfs/dbraw/zinc/16/84/50/1196168450.db2.gz OAQWNNJGRRWLPE-UHFFFAOYSA-N 0 3 313.332 3.180 20 10 DGCDHN CCCC[N@H+](CC[S@@](=O)C(F)(F)F)Cc1ccccc1[O-] ZINC001658434187 1196256664 /nfs/dbraw/zinc/25/66/64/1196256664.db2.gz UCODXEAXRBBDGA-OAQYLSRUSA-N 0 3 323.380 3.263 20 10 DGCDHN CCCC[N@@H+](CC[S@@](=O)C(F)(F)F)Cc1ccccc1[O-] ZINC001658434187 1196256667 /nfs/dbraw/zinc/25/66/67/1196256667.db2.gz UCODXEAXRBBDGA-OAQYLSRUSA-N 0 3 323.380 3.263 20 10 DGCDHN Cc1csc(N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)n1 ZINC001658523696 1196269168 /nfs/dbraw/zinc/26/91/68/1196269168.db2.gz IOHIACJRVYKDNC-CYBMUJFWSA-N 0 3 317.458 3.477 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001659598256 1196398315 /nfs/dbraw/zinc/39/83/15/1196398315.db2.gz LZLPFNHAKDSTDX-HIFRSBDPSA-N 0 3 305.418 3.301 20 10 DGCDHN CCN(CC)CC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001660261738 1196463408 /nfs/dbraw/zinc/46/34/08/1196463408.db2.gz HPWDKKAWZKDILO-NSHDSACASA-N 0 3 302.821 3.395 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC001664745871 1197048736 /nfs/dbraw/zinc/04/87/36/1197048736.db2.gz BOBJTHXQIONZAR-UHFFFAOYSA-N 0 3 315.323 3.146 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c([O-])c1 ZINC001665122716 1197099790 /nfs/dbraw/zinc/09/97/90/1197099790.db2.gz JBWWLQRWGIHJQP-AWEZNQCLSA-N 0 3 305.418 3.291 20 10 DGCDHN CC/C=C(\C)C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001668731773 1197427356 /nfs/dbraw/zinc/42/73/56/1197427356.db2.gz LPKDKTAEECZWBW-WLYYOSHGSA-N 0 3 316.445 3.122 20 10 DGCDHN COc1ccc(CNC/C=C/CNC(=O)[C@@H](C)C(C)C)cc1C ZINC001669069326 1197439730 /nfs/dbraw/zinc/43/97/30/1197439730.db2.gz GGMGTJQVRHCYRD-MOEXGYKKSA-N 0 3 318.461 3.058 20 10 DGCDHN CC/C=C(\C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001699647737 1202012520 /nfs/dbraw/zinc/01/25/20/1202012520.db2.gz SPNCTLBLUZRUFS-MKMNVTDBSA-N 0 3 316.445 3.098 20 10 DGCDHN Cn1cncc1-c1cccc(N2CCCc3ccc(CN)nc32)c1 ZINC001169590895 1081600483 /nfs/dbraw/zinc/60/04/83/1081600483.db2.gz POPXAGWEYXQWEW-UHFFFAOYSA-N 0 3 319.412 3.025 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC001169733744 1081645860 /nfs/dbraw/zinc/64/58/60/1081645860.db2.gz WXVWPFNUKNLYAD-WBVHZDCISA-N 0 3 324.424 3.348 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCOCC2)c1[O-] ZINC001658605690 1082080932 /nfs/dbraw/zinc/08/09/32/1082080932.db2.gz OYJBHCRQZJWQCU-ZDUSSCGKSA-N 0 3 314.223 3.122 20 10 DGCDHN CN(C)c1ccc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c(Cl)c1 ZINC001140927229 1083189196 /nfs/dbraw/zinc/18/91/96/1083189196.db2.gz JXFQWTBSEHVNAW-WFASDCNBSA-N 0 3 306.837 3.207 20 10 DGCDHN CCC(C)(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134681972 1083322108 /nfs/dbraw/zinc/32/21/08/1083322108.db2.gz OYSJPTNYHNYDIZ-QGZVFWFLSA-N 0 3 319.493 3.298 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c([O-])c1 ZINC001181089983 1083401046 /nfs/dbraw/zinc/40/10/46/1083401046.db2.gz WSTGTLXILSALDG-HNNXBMFYSA-N 0 3 305.418 3.100 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c([O-])c1 ZINC001181089983 1083401047 /nfs/dbraw/zinc/40/10/47/1083401047.db2.gz WSTGTLXILSALDG-HNNXBMFYSA-N 0 3 305.418 3.100 20 10 DGCDHN CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001181234103 1083437505 /nfs/dbraw/zinc/43/75/05/1083437505.db2.gz HBRBWKADHWFOGN-GOSISDBHSA-N 0 3 305.418 3.112 20 10 DGCDHN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001181234103 1083437509 /nfs/dbraw/zinc/43/75/09/1083437509.db2.gz HBRBWKADHWFOGN-GOSISDBHSA-N 0 3 305.418 3.112 20 10 DGCDHN COc1cc(C)c(C[NH+]2CCC(c3ccon3)CC2)c([O-])c1 ZINC001206715294 1090606878 /nfs/dbraw/zinc/60/68/78/1090606878.db2.gz PYUPJXTTYIHMQY-UHFFFAOYSA-N 0 3 302.374 3.077 20 10 DGCDHN C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1[O-] ZINC001203555708 1090754808 /nfs/dbraw/zinc/75/48/08/1090754808.db2.gz CQFIGTMSOJSVEL-ZFWWWQNUSA-N 0 3 320.433 3.270 20 10 DGCDHN C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1[O-] ZINC001203555708 1090754810 /nfs/dbraw/zinc/75/48/10/1090754810.db2.gz CQFIGTMSOJSVEL-ZFWWWQNUSA-N 0 3 320.433 3.270 20 10 DGCDHN Cc1cc(F)ccc1N1CCN(Cc2ccccc2O)CC1 ZINC001203558287 1090755617 /nfs/dbraw/zinc/75/56/17/1090755617.db2.gz BRRUBFINEMHPTD-UHFFFAOYSA-N 0 3 300.377 3.162 20 10 DGCDHN Cc1cc(F)ccc1N1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203558287 1090755622 /nfs/dbraw/zinc/75/56/22/1090755622.db2.gz BRRUBFINEMHPTD-UHFFFAOYSA-N 0 3 300.377 3.162 20 10 DGCDHN COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC001203558511 1090756081 /nfs/dbraw/zinc/75/60/81/1090756081.db2.gz LKUULAHUOYZDKQ-OAHLLOKOSA-N 0 3 313.397 3.346 20 10 DGCDHN COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC001203558511 1090756087 /nfs/dbraw/zinc/75/60/87/1090756087.db2.gz LKUULAHUOYZDKQ-OAHLLOKOSA-N 0 3 313.397 3.346 20 10 DGCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001203628520 1090768792 /nfs/dbraw/zinc/76/87/92/1090768792.db2.gz AHKMRSPRDXWSAQ-SFHVURJKSA-N 0 3 313.397 3.444 20 10 DGCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001203628520 1090768800 /nfs/dbraw/zinc/76/88/00/1090768800.db2.gz AHKMRSPRDXWSAQ-SFHVURJKSA-N 0 3 313.397 3.444 20 10 DGCDHN COc1ccc(C[NH+]2CCC(c3cccc(O)c3)CC2)c([O-])c1 ZINC001203634714 1090769933 /nfs/dbraw/zinc/76/99/33/1090769933.db2.gz RYLMGECGCXBENC-UHFFFAOYSA-N 0 3 313.397 3.486 20 10 DGCDHN COc1ccc(CN(C)CCC(=O)c2cccs2)c(O)c1 ZINC001203634434 1090770480 /nfs/dbraw/zinc/77/04/80/1090770480.db2.gz FZJQQUQQYIQCOH-UHFFFAOYSA-N 0 3 305.399 3.167 20 10 DGCDHN COc1ccc(C[N@H+](C)CCC(=O)c2cccs2)c([O-])c1 ZINC001203634434 1090770484 /nfs/dbraw/zinc/77/04/84/1090770484.db2.gz FZJQQUQQYIQCOH-UHFFFAOYSA-N 0 3 305.399 3.167 20 10 DGCDHN COc1ccc(C[N@@H+](C)CCC(=O)c2cccs2)c([O-])c1 ZINC001203634434 1090770486 /nfs/dbraw/zinc/77/04/86/1090770486.db2.gz FZJQQUQQYIQCOH-UHFFFAOYSA-N 0 3 305.399 3.167 20 10 DGCDHN CN(C)c1ccc(CN2CCCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC001203930706 1090841553 /nfs/dbraw/zinc/84/15/53/1090841553.db2.gz FCYWKHQQHBNSLP-HNNXBMFYSA-N 0 3 316.367 3.032 20 10 DGCDHN CN(C)c1ccc(CN2CC[C@@H](C(=O)c3ccccc3)C2)cc1 ZINC001203935791 1090844680 /nfs/dbraw/zinc/84/46/80/1090844680.db2.gz DMTGXPJBTOKIBU-GOSISDBHSA-N 0 3 308.425 3.457 20 10 DGCDHN Cc1ccc(N2CCN(Cc3ccc(O)cc3O)CC2)cc1C ZINC001204272427 1090937906 /nfs/dbraw/zinc/93/79/06/1090937906.db2.gz NUMJWMJYEZXLKD-UHFFFAOYSA-N 0 3 312.413 3.037 20 10 DGCDHN O=C1CC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)c2ccccc21 ZINC001204277245 1090938186 /nfs/dbraw/zinc/93/81/86/1090938186.db2.gz AHJDARWECCRJND-UHFFFAOYSA-N 0 3 323.392 3.218 20 10 DGCDHN COc1cc(CN2CC[C@@H](Cc3ccccc3)C2)cc(O)c1O ZINC001204345741 1090952792 /nfs/dbraw/zinc/95/27/92/1090952792.db2.gz WIVODCPEYPKIDV-HNNXBMFYSA-N 0 3 313.397 3.171 20 10 DGCDHN C[C@@]1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCCO1 ZINC001205101920 1091102664 /nfs/dbraw/zinc/10/26/64/1091102664.db2.gz YOHVOEMNGXQVSA-MJGOQNOKSA-N 0 3 319.445 3.332 20 10 DGCDHN C[C@@]1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCCO1 ZINC001205101920 1091102665 /nfs/dbraw/zinc/10/26/65/1091102665.db2.gz YOHVOEMNGXQVSA-MJGOQNOKSA-N 0 3 319.445 3.332 20 10 DGCDHN Cc1c(CN2CCN(c3cccnc3)CC2)c2ccccc2n1C ZINC001138252445 1091126926 /nfs/dbraw/zinc/12/69/26/1091126926.db2.gz HPANIBLUUKEFCG-UHFFFAOYSA-N 0 3 320.440 3.204 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc3ccncc3s2)c([O-])c1 ZINC001205517743 1091240879 /nfs/dbraw/zinc/24/08/79/1091240879.db2.gz WAMDEAHKFVZTBR-UHFFFAOYSA-N 0 3 300.383 3.300 20 10 DGCDHN [NH3+][C@@H]1CN(Cc2cccc(-c3ccccc3)c2[O-])CC(F)(F)C1 ZINC001206138506 1091506865 /nfs/dbraw/zinc/50/68/65/1091506865.db2.gz CMCAZPVGUPDKLK-HNNXBMFYSA-N 0 3 318.367 3.228 20 10 DGCDHN Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC001140060161 1091754640 /nfs/dbraw/zinc/75/46/40/1091754640.db2.gz NJNPCYPVBDSIGV-MRXNPFEDSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC001140060161 1091754648 /nfs/dbraw/zinc/75/46/48/1091754648.db2.gz NJNPCYPVBDSIGV-MRXNPFEDSA-N 0 3 316.376 3.278 20 10 DGCDHN Cc1ccccc1N1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140742685 1091982478 /nfs/dbraw/zinc/98/24/78/1091982478.db2.gz VHQCYBPDHOQBNJ-UHFFFAOYSA-N 0 3 312.413 3.037 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140949504 1092075470 /nfs/dbraw/zinc/07/54/70/1092075470.db2.gz CEWUFFUONCXTBK-OAHLLOKOSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140949504 1092075478 /nfs/dbraw/zinc/07/54/78/1092075478.db2.gz CEWUFFUONCXTBK-OAHLLOKOSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c([O-])c1 ZINC001140953587 1092076892 /nfs/dbraw/zinc/07/68/92/1092076892.db2.gz CLLXAMKYTJIRFB-HDICACEKSA-N 0 3 308.425 3.269 20 10 DGCDHN Cc1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c([O-])c1 ZINC001140953587 1092076898 /nfs/dbraw/zinc/07/68/98/1092076898.db2.gz CLLXAMKYTJIRFB-HDICACEKSA-N 0 3 308.425 3.269 20 10 DGCDHN Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(C)cc3[O-])C2)c1 ZINC001140954237 1092080612 /nfs/dbraw/zinc/08/06/12/1092080612.db2.gz NSNCOOCOVJXASX-KRWDZBQOSA-N 0 3 312.413 3.447 20 10 DGCDHN Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)c1 ZINC001140954237 1092080620 /nfs/dbraw/zinc/08/06/20/1092080620.db2.gz NSNCOOCOVJXASX-KRWDZBQOSA-N 0 3 312.413 3.447 20 10 DGCDHN CCCCc1ncc(CN(C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001141071376 1092127829 /nfs/dbraw/zinc/12/78/29/1092127829.db2.gz MDFHIVJLYYXSSQ-UHFFFAOYSA-N 0 3 300.450 3.450 20 10 DGCDHN Cc1ccc(CCCN2CCCc3cc(O)c(O)cc3C2)o1 ZINC001207951039 1092154779 /nfs/dbraw/zinc/15/47/79/1092154779.db2.gz SAQORHDGXALSPY-UHFFFAOYSA-N 0 3 301.386 3.380 20 10 DGCDHN Cc1cccc(OC2CCN(Cc3cc(O)ccc3O)CC2)c1 ZINC001141160663 1092156041 /nfs/dbraw/zinc/15/60/41/1092156041.db2.gz GVKNXZSNBVMBLR-UHFFFAOYSA-N 0 3 313.397 3.450 20 10 DGCDHN Oc1cccc2c1CN(Cc1c[nH]c3ncc(Cl)cc13)CC2 ZINC001209600889 1092843294 /nfs/dbraw/zinc/84/32/94/1092843294.db2.gz SPPJNKZZJLIOJF-UHFFFAOYSA-N 0 3 313.788 3.480 20 10 DGCDHN CN(C)c1ccc([C@@H](CNC(=O)OC2CCCC2)N(C)C)cc1 ZINC001213978985 1093691793 /nfs/dbraw/zinc/69/17/93/1093691793.db2.gz WBTCBTGLHVFQPP-QGZVFWFLSA-N 0 3 319.449 3.024 20 10 DGCDHN CC[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC001116889984 1095692831 /nfs/dbraw/zinc/69/28/31/1095692831.db2.gz LUYGCSIBOAHMDP-WBVHZDCISA-N 0 3 318.461 3.390 20 10 DGCDHN [O-]c1cccc(F)c1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137837812 1095759111 /nfs/dbraw/zinc/75/91/11/1095759111.db2.gz VRAMWDOLAONRPT-HNNXBMFYSA-N 0 3 306.425 3.372 20 10 DGCDHN CN(C)c1ccnc(CNCc2ccc(N3CCCC3)cc2)c1 ZINC001339895321 1095771592 /nfs/dbraw/zinc/77/15/92/1095771592.db2.gz KCLUNCAAQNVIPD-UHFFFAOYSA-N 0 3 310.445 3.038 20 10 DGCDHN Cc1cc(CN2CC[C@@]23CCOC3)ccc1N1CCCCC1 ZINC001117989358 1095914922 /nfs/dbraw/zinc/91/49/22/1095914922.db2.gz HVWYHQGRFCQRMV-IBGZPJMESA-N 0 3 300.446 3.350 20 10 DGCDHN COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001172797526 1097253654 /nfs/dbraw/zinc/25/36/54/1097253654.db2.gz IDLDQVIEIHDTCH-HUUCEWRRSA-N 0 3 305.418 3.221 20 10 DGCDHN CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C1 ZINC001173647823 1097491401 /nfs/dbraw/zinc/49/14/01/1097491401.db2.gz CCTDMENUCJMIAF-CABCVRRESA-N 0 3 305.418 3.221 20 10 DGCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@H](C)C2)c1[O-] ZINC001231547843 1097777519 /nfs/dbraw/zinc/77/75/19/1097777519.db2.gz KIYMDDNORIEDKZ-JTQLQIEISA-N 0 3 314.223 3.395 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@H](C)C2)c1[O-] ZINC001231547843 1097777514 /nfs/dbraw/zinc/77/75/14/1097777514.db2.gz KIYMDDNORIEDKZ-JTQLQIEISA-N 0 3 314.223 3.395 20 10 DGCDHN CC[C@H](C)[N@H+](C)Cc1c(Br)ccc(OC)c1[O-] ZINC001231549469 1097777737 /nfs/dbraw/zinc/77/77/37/1097777737.db2.gz BANWRFQPFWFCTI-VIFPVBQESA-N 0 3 302.212 3.394 20 10 DGCDHN CC[C@H](C)[N@@H+](C)Cc1c(Br)ccc(OC)c1[O-] ZINC001231549469 1097777740 /nfs/dbraw/zinc/77/77/40/1097777740.db2.gz BANWRFQPFWFCTI-VIFPVBQESA-N 0 3 302.212 3.394 20 10 DGCDHN CC[C@H](C)N(C)Cc1c(Br)ccc(OC)c1O ZINC001231549469 1097777745 /nfs/dbraw/zinc/77/77/45/1097777745.db2.gz BANWRFQPFWFCTI-VIFPVBQESA-N 0 3 302.212 3.394 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C)C2)c1[O-] ZINC001231547844 1097778027 /nfs/dbraw/zinc/77/80/27/1097778027.db2.gz KIYMDDNORIEDKZ-SNVBAGLBSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@@H](C)C2)c1[O-] ZINC001231547844 1097778028 /nfs/dbraw/zinc/77/80/28/1097778028.db2.gz KIYMDDNORIEDKZ-SNVBAGLBSA-N 0 3 314.223 3.395 20 10 DGCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C)c1[O-] ZINC001231548219 1097778052 /nfs/dbraw/zinc/77/80/52/1097778052.db2.gz PYYMBOCQIPNJTJ-VIFPVBQESA-N 0 3 300.196 3.148 20 10 DGCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C)c1[O-] ZINC001231548219 1097778056 /nfs/dbraw/zinc/77/80/56/1097778056.db2.gz PYYMBOCQIPNJTJ-VIFPVBQESA-N 0 3 300.196 3.148 20 10 DGCDHN O=C1CC[C@@]2(CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC001231590573 1097785774 /nfs/dbraw/zinc/78/57/74/1097785774.db2.gz IAWKWIQESYOGCK-LJQANCHMSA-N 0 3 311.381 3.217 20 10 DGCDHN O=C1CC[C@@]2(CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC001231590573 1097785777 /nfs/dbraw/zinc/78/57/77/1097785777.db2.gz IAWKWIQESYOGCK-LJQANCHMSA-N 0 3 311.381 3.217 20 10 DGCDHN Cc1cccc(CN2CCN(c3cccc(F)c3)CC2)c1O ZINC001231594634 1097788401 /nfs/dbraw/zinc/78/84/01/1097788401.db2.gz MCWBRICNILKCAM-UHFFFAOYSA-N 0 3 300.377 3.162 20 10 DGCDHN C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198259 1097963539 /nfs/dbraw/zinc/96/35/39/1097963539.db2.gz NTCXZOYMRBJCLS-AWEZNQCLSA-N 0 3 308.853 3.409 20 10 DGCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(COC)n1 ZINC001232260620 1097984484 /nfs/dbraw/zinc/98/44/84/1097984484.db2.gz OCEPQXJZBAPLPQ-UHFFFAOYSA-N 0 3 313.445 3.316 20 10 DGCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCOC3)CC2)c1[O-] ZINC001233287205 1098276286 /nfs/dbraw/zinc/27/62/86/1098276286.db2.gz BNNPFGKLEJMBKW-UHFFFAOYSA-N 0 3 311.809 3.057 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c1[O-] ZINC001233288016 1098277980 /nfs/dbraw/zinc/27/79/80/1098277980.db2.gz RPAGEUXYSZKYRQ-INIZCTEOSA-N 0 3 313.825 3.037 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)c1[O-] ZINC001233288016 1098277987 /nfs/dbraw/zinc/27/79/87/1098277987.db2.gz RPAGEUXYSZKYRQ-INIZCTEOSA-N 0 3 313.825 3.037 20 10 DGCDHN CC[N@H+](C)C1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233455404 1098339446 /nfs/dbraw/zinc/33/94/46/1098339446.db2.gz JMFVKSZDXSSZQV-UHFFFAOYSA-N 0 3 316.367 3.327 20 10 DGCDHN CC[N@@H+](C)C1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233455404 1098339451 /nfs/dbraw/zinc/33/94/51/1098339451.db2.gz JMFVKSZDXSSZQV-UHFFFAOYSA-N 0 3 316.367 3.327 20 10 DGCDHN COc1ccccc1[C@H]1CCCN1Cc1cc(O)c(O)cc1O ZINC001233484882 1098346081 /nfs/dbraw/zinc/34/60/81/1098346081.db2.gz AMPGFAPJEKLTGR-CQSZACIVSA-N 0 3 315.369 3.149 20 10 DGCDHN COc1ccc([C@@H](C)N(C)Cc2cc(O)c(O)cc2O)cc1 ZINC001233486411 1098346666 /nfs/dbraw/zinc/34/66/66/1098346666.db2.gz MCNSPTLKAJOBLN-LLVKDONJSA-N 0 3 303.358 3.005 20 10 DGCDHN CCC[N@H+](CCOC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233728711 1098417598 /nfs/dbraw/zinc/41/75/98/1098417598.db2.gz ZJILPGKMJNTZFR-UHFFFAOYSA-N 0 3 307.312 3.149 20 10 DGCDHN CCC[N@@H+](CCOC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233728711 1098417600 /nfs/dbraw/zinc/41/76/00/1098417600.db2.gz ZJILPGKMJNTZFR-UHFFFAOYSA-N 0 3 307.312 3.149 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC4(COC4)C3)c2c1 ZINC001234525222 1098580470 /nfs/dbraw/zinc/58/04/70/1098580470.db2.gz CVHJJOYOMVCFHG-UHFFFAOYSA-N 0 3 313.397 3.166 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC4(COC4)C3)c2c1 ZINC001234525222 1098580479 /nfs/dbraw/zinc/58/04/79/1098580479.db2.gz CVHJJOYOMVCFHG-UHFFFAOYSA-N 0 3 313.397 3.166 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C)[C@](C)(O)C3)c2c1 ZINC001234526620 1098583592 /nfs/dbraw/zinc/58/35/92/1098583592.db2.gz XFNIJICNYLUGJB-BFUOFWGJSA-N 0 3 315.413 3.147 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C)[C@](C)(O)C3)c2c1 ZINC001234526620 1098583602 /nfs/dbraw/zinc/58/36/02/1098583602.db2.gz XFNIJICNYLUGJB-BFUOFWGJSA-N 0 3 315.413 3.147 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H]3CCCC[C@H]3F)cc2)CC1 ZINC001234660371 1098637271 /nfs/dbraw/zinc/63/72/71/1098637271.db2.gz HDZGLBODRCTOLP-QZTJIDSGSA-N 0 3 306.425 3.488 20 10 DGCDHN CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234993502 1098737722 /nfs/dbraw/zinc/73/77/22/1098737722.db2.gz DEEQAVDWXFIIFM-SFHVURJKSA-N 0 3 324.424 3.160 20 10 DGCDHN CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234993502 1098737726 /nfs/dbraw/zinc/73/77/26/1098737726.db2.gz DEEQAVDWXFIIFM-SFHVURJKSA-N 0 3 324.424 3.160 20 10 DGCDHN [O-]c1c(C[N@@H+]2CCN3CCC2CC3)cccc1-c1ccccc1 ZINC001234996923 1098741531 /nfs/dbraw/zinc/74/15/31/1098741531.db2.gz PWRNSJHEODXONV-UHFFFAOYSA-N 0 3 308.425 3.339 20 10 DGCDHN [O-]c1c(C[N@H+]2CCN3CCC2CC3)cccc1-c1ccccc1 ZINC001234996923 1098741542 /nfs/dbraw/zinc/74/15/42/1098741542.db2.gz PWRNSJHEODXONV-UHFFFAOYSA-N 0 3 308.425 3.339 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]3CC[NH2+]C[C@H]32)cc1Cl ZINC001235218821 1098889777 /nfs/dbraw/zinc/88/97/77/1098889777.db2.gz PEHLERGUKNAUOX-IAQYHMDHSA-N 0 3 308.853 3.137 20 10 DGCDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001235258991 1098931461 /nfs/dbraw/zinc/93/14/61/1098931461.db2.gz UKLMBFSOCHLDOZ-IUODEOHRSA-N 0 3 308.853 3.137 20 10 DGCDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681577 1099124276 /nfs/dbraw/zinc/12/42/76/1099124276.db2.gz ASELAOOWEHHXGK-HIFRSBDPSA-N 0 3 319.445 3.463 20 10 DGCDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681577 1099124283 /nfs/dbraw/zinc/12/42/83/1099124283.db2.gz ASELAOOWEHHXGK-HIFRSBDPSA-N 0 3 319.445 3.463 20 10 DGCDHN Cc1c[nH]c(=O)c(CNCc2ccc(N3CCCCC3)cc2)c1 ZINC001179732941 1099188250 /nfs/dbraw/zinc/18/82/50/1099188250.db2.gz AYUCRIQDJGFZKS-UHFFFAOYSA-N 0 3 311.429 3.376 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235850306 1099210654 /nfs/dbraw/zinc/21/06/54/1099210654.db2.gz SNUBDRBJRHTMEC-KRWDZBQOSA-N 0 3 316.832 3.062 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236113904 1099401382 /nfs/dbraw/zinc/40/13/82/1099401382.db2.gz KNALAZZBMPSSDU-CYBMUJFWSA-N 0 3 308.834 3.254 20 10 DGCDHN [O-]c1cc(Br)c(O)cc1C[N@H+](CC1CC1)C1CC1 ZINC001236762982 1099774759 /nfs/dbraw/zinc/77/47/59/1099774759.db2.gz SXSIUSZRYLLUSJ-UHFFFAOYSA-N 0 3 312.207 3.235 20 10 DGCDHN [O-]c1cc(Br)c(O)cc1C[N@@H+](CC1CC1)C1CC1 ZINC001236762982 1099774769 /nfs/dbraw/zinc/77/47/69/1099774769.db2.gz SXSIUSZRYLLUSJ-UHFFFAOYSA-N 0 3 312.207 3.235 20 10 DGCDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])CC(C)(C)C ZINC001236774988 1099778745 /nfs/dbraw/zinc/77/87/45/1099778745.db2.gz JNRHROPEJDCKGN-UHFFFAOYSA-N 0 3 302.212 3.338 20 10 DGCDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])CC(C)(C)C ZINC001236774988 1099778749 /nfs/dbraw/zinc/77/87/49/1099778749.db2.gz JNRHROPEJDCKGN-UHFFFAOYSA-N 0 3 302.212 3.338 20 10 DGCDHN CCc1ccc(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c([O-])c1 ZINC001236788781 1099785458 /nfs/dbraw/zinc/78/54/58/1099785458.db2.gz QJTWAFTVUAAKAR-UHFFFAOYSA-N 0 3 318.461 3.081 20 10 DGCDHN CCOC(=O)C1(C)CC[NH+](Cc2ccc(CC)cc2[O-])CC1 ZINC001236795732 1099790786 /nfs/dbraw/zinc/79/07/86/1099790786.db2.gz ZLKQWINKBSTBPK-UHFFFAOYSA-N 0 3 305.418 3.120 20 10 DGCDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(CC)cc2[O-])[C@@H]1C ZINC001236795511 1099791740 /nfs/dbraw/zinc/79/17/40/1099791740.db2.gz VTRBOGKGLNIXKV-CJNGLKHVSA-N 0 3 305.418 3.118 20 10 DGCDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(CC)cc2[O-])[C@@H]1C ZINC001236795511 1099791751 /nfs/dbraw/zinc/79/17/51/1099791751.db2.gz VTRBOGKGLNIXKV-CJNGLKHVSA-N 0 3 305.418 3.118 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)CCc2ccccc2OC)c([O-])c1 ZINC001236810935 1099798517 /nfs/dbraw/zinc/79/85/17/1099798517.db2.gz LFZCPDVCBGUVFR-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)CCc2ccccc2OC)c([O-])c1 ZINC001236810935 1099798531 /nfs/dbraw/zinc/79/85/31/1099798531.db2.gz LFZCPDVCBGUVFR-UHFFFAOYSA-N 0 3 315.413 3.392 20 10 DGCDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830789 1099817729 /nfs/dbraw/zinc/81/77/29/1099817729.db2.gz CONONIWTOBALCI-SUMWQHHRSA-N 0 3 313.397 3.176 20 10 DGCDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830789 1099817737 /nfs/dbraw/zinc/81/77/37/1099817737.db2.gz CONONIWTOBALCI-SUMWQHHRSA-N 0 3 313.397 3.176 20 10 DGCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830779 1099818304 /nfs/dbraw/zinc/81/83/04/1099818304.db2.gz CONONIWTOBALCI-CXAGYDPISA-N 0 3 313.397 3.176 20 10 DGCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236830779 1099818319 /nfs/dbraw/zinc/81/83/19/1099818319.db2.gz CONONIWTOBALCI-CXAGYDPISA-N 0 3 313.397 3.176 20 10 DGCDHN CCOc1ccc(C[N@H+](C)CCc2cccc(OC)c2)c([O-])c1 ZINC001237042023 1099938573 /nfs/dbraw/zinc/93/85/73/1099938573.db2.gz CTBHFRQHMSGUKE-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)CCc2cccc(OC)c2)c([O-])c1 ZINC001237042023 1099938585 /nfs/dbraw/zinc/93/85/85/1099938585.db2.gz CTBHFRQHMSGUKE-UHFFFAOYSA-N 0 3 315.413 3.474 20 10 DGCDHN CC(C)c1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c([O-])c1 ZINC001237052263 1099945030 /nfs/dbraw/zinc/94/50/30/1099945030.db2.gz SQSTXUIOTBPDBZ-LJQANCHMSA-N 0 3 316.445 3.102 20 10 DGCDHN CC(C)c1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(C)C3)c([O-])c1 ZINC001237052263 1099945039 /nfs/dbraw/zinc/94/50/39/1099945039.db2.gz SQSTXUIOTBPDBZ-LJQANCHMSA-N 0 3 316.445 3.102 20 10 DGCDHN Cc1noc([C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C2)n1 ZINC001237054704 1099946404 /nfs/dbraw/zinc/94/64/04/1099946404.db2.gz DTOCVAFSPTYYAM-HNNXBMFYSA-N 0 3 301.390 3.197 20 10 DGCDHN Cc1noc([C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C2)n1 ZINC001237054704 1099946413 /nfs/dbraw/zinc/94/64/13/1099946413.db2.gz DTOCVAFSPTYYAM-HNNXBMFYSA-N 0 3 301.390 3.197 20 10 DGCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001237054748 1099947002 /nfs/dbraw/zinc/94/70/02/1099947002.db2.gz GBYFRZLLDHVMOH-XKQJLSEDSA-N 0 3 317.429 3.289 20 10 DGCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001237054748 1099947013 /nfs/dbraw/zinc/94/70/13/1099947013.db2.gz GBYFRZLLDHVMOH-XKQJLSEDSA-N 0 3 317.429 3.289 20 10 DGCDHN CCOC(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237055497 1099948845 /nfs/dbraw/zinc/94/88/45/1099948845.db2.gz PKFCZECJYMLKDC-UHFFFAOYSA-N 0 3 320.433 3.226 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237057325 1099949879 /nfs/dbraw/zinc/94/98/79/1099949879.db2.gz BGCWQUGCTVWYFR-CMPLNLGQSA-N 0 3 301.308 3.318 20 10 DGCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237057325 1099949892 /nfs/dbraw/zinc/94/98/92/1099949892.db2.gz BGCWQUGCTVWYFR-CMPLNLGQSA-N 0 3 301.308 3.318 20 10 DGCDHN Oc1ccc(F)c(Cl)c1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237131987 1099985997 /nfs/dbraw/zinc/98/59/97/1099985997.db2.gz ZXSMMENZAWEFCK-ZDUSSCGKSA-N 0 3 321.726 3.185 20 10 DGCDHN C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@H]1O ZINC001237138148 1099988068 /nfs/dbraw/zinc/98/80/68/1099988068.db2.gz UGJHXSUKRYAUTN-GWCFXTLKSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@H]1O ZINC001237138148 1099988076 /nfs/dbraw/zinc/98/80/76/1099988076.db2.gz UGJHXSUKRYAUTN-GWCFXTLKSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@H]1O ZINC001237138149 1099989104 /nfs/dbraw/zinc/98/91/04/1099989104.db2.gz UGJHXSUKRYAUTN-GXFFZTMASA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@H]1O ZINC001237138149 1099989114 /nfs/dbraw/zinc/98/91/14/1099989114.db2.gz UGJHXSUKRYAUTN-GXFFZTMASA-N 0 3 303.324 3.004 20 10 DGCDHN CC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C1CCOCC1 ZINC001237140186 1099989608 /nfs/dbraw/zinc/98/96/08/1099989608.db2.gz XZBCPUFPGGAUOW-UHFFFAOYSA-N 0 3 303.324 3.412 20 10 DGCDHN CC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C1CCOCC1 ZINC001237140186 1099989613 /nfs/dbraw/zinc/98/96/13/1099989613.db2.gz XZBCPUFPGGAUOW-UHFFFAOYSA-N 0 3 303.324 3.412 20 10 DGCDHN Oc1ccc(C(F)(F)F)cc1CN1CCC[C@]12CCOC2 ZINC001237139495 1099989956 /nfs/dbraw/zinc/98/99/56/1099989956.db2.gz GOMXGPUMQCLDGM-CQSZACIVSA-N 0 3 301.308 3.166 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001237139495 1099989963 /nfs/dbraw/zinc/98/99/63/1099989963.db2.gz GOMXGPUMQCLDGM-CQSZACIVSA-N 0 3 301.308 3.166 20 10 DGCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC001237139495 1099989969 /nfs/dbraw/zinc/98/99/69/1099989969.db2.gz GOMXGPUMQCLDGM-CQSZACIVSA-N 0 3 301.308 3.166 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001237489680 1100140862 /nfs/dbraw/zinc/14/08/62/1100140862.db2.gz CXHAPTPBKRYBES-AWEZNQCLSA-N 0 3 305.418 3.397 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001237489680 1100140868 /nfs/dbraw/zinc/14/08/68/1100140868.db2.gz CXHAPTPBKRYBES-AWEZNQCLSA-N 0 3 305.418 3.397 20 10 DGCDHN CCc1noc([C@H]2CCC[N@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237487755 1100141527 /nfs/dbraw/zinc/14/15/27/1100141527.db2.gz MUKNHMYYGZUQEJ-ZDUSSCGKSA-N 0 3 301.390 3.026 20 10 DGCDHN CCc1noc([C@H]2CCC[N@@H+](Cc3c(C)cccc3[O-])C2)n1 ZINC001237487755 1100141531 /nfs/dbraw/zinc/14/15/31/1100141531.db2.gz MUKNHMYYGZUQEJ-ZDUSSCGKSA-N 0 3 301.390 3.026 20 10 DGCDHN Cc1cccc(O)c1CN1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001237495774 1100145365 /nfs/dbraw/zinc/14/53/65/1100145365.db2.gz VMZUGJQWHDOACD-KRWDZBQOSA-N 0 3 310.397 3.304 20 10 DGCDHN CCOC(=O)C1(CC)CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC001237495733 1100146042 /nfs/dbraw/zinc/14/60/42/1100146042.db2.gz UWKPWQFGSHIYOL-UHFFFAOYSA-N 0 3 305.418 3.256 20 10 DGCDHN COC[C@@H]1CC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237649962 1100203532 /nfs/dbraw/zinc/20/35/32/1100203532.db2.gz ORTVUWBMAZBKGS-KRWDZBQOSA-N 0 3 301.361 3.419 20 10 DGCDHN COC[C@@H]1CC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237649962 1100203536 /nfs/dbraw/zinc/20/35/36/1100203536.db2.gz ORTVUWBMAZBKGS-KRWDZBQOSA-N 0 3 301.361 3.419 20 10 DGCDHN COc1cc(CN2Cc3ccccc3C[C@H]2C)c(O)c(OC)c1 ZINC001237681631 1100211731 /nfs/dbraw/zinc/21/17/31/1100211731.db2.gz RCKJMHODRYWQAW-CYBMUJFWSA-N 0 3 313.397 3.356 20 10 DGCDHN Cc1cc(Cl)cc(CN2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC001237681714 1100211870 /nfs/dbraw/zinc/21/18/70/1100211870.db2.gz PWJIRCHSMQTQRX-ZDUSSCGKSA-N 0 3 323.742 3.101 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1[O-] ZINC001237687194 1100214821 /nfs/dbraw/zinc/21/48/21/1100214821.db2.gz VBCDWQFWKYZPED-TXEJJXNPSA-N 0 3 317.763 3.068 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1[O-] ZINC001237687194 1100214828 /nfs/dbraw/zinc/21/48/28/1100214828.db2.gz VBCDWQFWKYZPED-TXEJJXNPSA-N 0 3 317.763 3.068 20 10 DGCDHN Cc1cc(Cl)cc(CN2C[C@@H]3COC[C@H](C2)C3(F)F)c1O ZINC001237687194 1100214835 /nfs/dbraw/zinc/21/48/35/1100214835.db2.gz VBCDWQFWKYZPED-TXEJJXNPSA-N 0 3 317.763 3.068 20 10 DGCDHN CCC[N@H+](Cc1cc(F)cc(C)c1[O-])C1CCN(C(C)=O)CC1 ZINC001238066069 1100347688 /nfs/dbraw/zinc/34/76/88/1100347688.db2.gz DWBFXHJSQVALRZ-UHFFFAOYSA-N 0 3 322.424 3.063 20 10 DGCDHN CCC[N@@H+](Cc1cc(F)cc(C)c1[O-])C1CCN(C(C)=O)CC1 ZINC001238066069 1100347694 /nfs/dbraw/zinc/34/76/94/1100347694.db2.gz DWBFXHJSQVALRZ-UHFFFAOYSA-N 0 3 322.424 3.063 20 10 DGCDHN CCCCCOC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001193790485 1100805039 /nfs/dbraw/zinc/80/50/39/1100805039.db2.gz OAUWIBRBIHWUMH-UHFFFAOYSA-N 0 3 320.433 3.273 20 10 DGCDHN C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001197003927 1101454280 /nfs/dbraw/zinc/45/42/80/1101454280.db2.gz NBCQUJYIKZPPOM-ZDUSSCGKSA-N 0 3 316.357 3.420 20 10 DGCDHN C[N@H+](CCCNCc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC001198918105 1102026104 /nfs/dbraw/zinc/02/61/04/1102026104.db2.gz HJWVGZDTEXZIIB-UHFFFAOYSA-N 0 3 312.404 3.415 20 10 DGCDHN C[N@@H+](CCCNCc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC001198918105 1102026117 /nfs/dbraw/zinc/02/61/17/1102026117.db2.gz HJWVGZDTEXZIIB-UHFFFAOYSA-N 0 3 312.404 3.415 20 10 DGCDHN Cn1nccc1C1=CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001327387139 1103634958 /nfs/dbraw/zinc/63/49/58/1103634958.db2.gz JYVRHFRBKTXRKA-UHFFFAOYSA-N 0 3 322.456 3.310 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001275270720 1104699557 /nfs/dbraw/zinc/69/95/57/1104699557.db2.gz GPIVEUWEVJJUHO-UHFFFAOYSA-N 0 3 306.837 3.248 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001275270720 1104699560 /nfs/dbraw/zinc/69/95/60/1104699560.db2.gz GPIVEUWEVJJUHO-UHFFFAOYSA-N 0 3 306.837 3.248 20 10 DGCDHN C[NH+](C)[C@H]1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248880187 1105185180 /nfs/dbraw/zinc/18/51/80/1105185180.db2.gz HVIAWOQXOAITJI-ZDUSSCGKSA-N 0 3 310.869 3.479 20 10 DGCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001249207348 1105247558 /nfs/dbraw/zinc/24/75/58/1105247558.db2.gz CPMZFQLYWOPZMY-CVEARBPZSA-N 0 3 317.429 3.120 20 10 DGCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001249207348 1105247563 /nfs/dbraw/zinc/24/75/63/1105247563.db2.gz CPMZFQLYWOPZMY-CVEARBPZSA-N 0 3 317.429 3.120 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@]4(CCOC4)C3)ccc2O1 ZINC001249230617 1105251598 /nfs/dbraw/zinc/25/15/98/1105251598.db2.gz NASQGMUHLAOJDT-IBGZPJMESA-N 0 3 315.413 3.189 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@]4(CCOC4)C3)ccc2O1 ZINC001249230617 1105251600 /nfs/dbraw/zinc/25/16/00/1105251600.db2.gz NASQGMUHLAOJDT-IBGZPJMESA-N 0 3 315.413 3.189 20 10 DGCDHN CC(C)[N@H+](CCCO)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249244867 1105256669 /nfs/dbraw/zinc/25/66/69/1105256669.db2.gz PCGLRPWTSYNNOA-UHFFFAOYSA-N 0 3 305.418 3.169 20 10 DGCDHN CC(C)[N@@H+](CCCO)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249244867 1105256673 /nfs/dbraw/zinc/25/66/73/1105256673.db2.gz PCGLRPWTSYNNOA-UHFFFAOYSA-N 0 3 305.418 3.169 20 10 DGCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(CCO4)CC3)ccc2O1 ZINC001249252643 1105257699 /nfs/dbraw/zinc/25/76/99/1105257699.db2.gz OMHDYIVBAHMOQH-UHFFFAOYSA-N 0 3 315.413 3.331 20 10 DGCDHN CCOc1cc(OC)ccc1CN(C)Cc1ccccc1O ZINC001250062492 1105435851 /nfs/dbraw/zinc/43/58/51/1105435851.db2.gz JZQYAVFFWUGYKQ-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN Cc1cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])cc1Br ZINC001250133526 1105449959 /nfs/dbraw/zinc/44/99/59/1105449959.db2.gz NEBKHCHKRLIPLE-CNDDSTCGSA-N 0 3 314.198 3.110 20 10 DGCDHN Cc1cc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])cc1Br ZINC001250133526 1105449963 /nfs/dbraw/zinc/44/99/63/1105449963.db2.gz NEBKHCHKRLIPLE-CNDDSTCGSA-N 0 3 314.198 3.110 20 10 DGCDHN COc1cc(CN2CCc3cccc(O)c3C2)cc2c1OCC=C2 ZINC001250511076 1105527463 /nfs/dbraw/zinc/52/74/63/1105527463.db2.gz AGSCGKXSXQMZNA-UHFFFAOYSA-N 0 3 323.392 3.365 20 10 DGCDHN COc1cccc([C@H](O)C[NH2+]Cc2cc3ccccc3cc2[O-])c1 ZINC001250735436 1105571931 /nfs/dbraw/zinc/57/19/31/1105571931.db2.gz WEEFDXRTLZQSGT-HXUWFJFHSA-N 0 3 323.392 3.377 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254610126 1106113268 /nfs/dbraw/zinc/11/32/68/1106113268.db2.gz YFWAIXIAKFIOCY-UHFFFAOYSA-N 0 3 300.377 3.290 20 10 DGCDHN COc1ccc(C[C@@H](C)[N@H+](C)Cc2cccc(OC)c2[O-])cc1 ZINC001320493882 1107025378 /nfs/dbraw/zinc/02/53/78/1107025378.db2.gz FFYJMKOJTFKTCS-CQSZACIVSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cccc(OC)c2[O-])cc1 ZINC001320493882 1107025393 /nfs/dbraw/zinc/02/53/93/1107025393.db2.gz FFYJMKOJTFKTCS-CQSZACIVSA-N 0 3 315.413 3.472 20 10 DGCDHN C[C@H](C[C@H](O)c1ccco1)NCc1cc(F)c(N(C)C)cc1F ZINC001261787870 1107529777 /nfs/dbraw/zinc/52/97/77/1107529777.db2.gz DMPUJWJGDMFDGD-BZNIZROVSA-N 0 3 324.371 3.226 20 10 DGCDHN CO[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC001324541370 1108334082 /nfs/dbraw/zinc/33/40/82/1108334082.db2.gz JYLQWXBMHXNUKM-WBVHZDCISA-N 0 3 301.361 3.496 20 10 DGCDHN Cc1ccc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)cc1 ZINC001324779582 1108462142 /nfs/dbraw/zinc/46/21/42/1108462142.db2.gz VPZYZEZQNUMRGK-UHFFFAOYSA-N 0 3 310.441 3.409 20 10 DGCDHN Cc1ccc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)cc1 ZINC001324779582 1108462147 /nfs/dbraw/zinc/46/21/47/1108462147.db2.gz VPZYZEZQNUMRGK-UHFFFAOYSA-N 0 3 310.441 3.409 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H](Cc2ccccc2)OC)c([O-])c1 ZINC001308776560 1111473998 /nfs/dbraw/zinc/47/39/98/1111473998.db2.gz PJXUHUDCOWGQJA-KRWDZBQOSA-N 0 3 315.413 3.057 20 10 DGCDHN O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-])c1ccccc1 ZINC000179566980 432063193 /nfs/dbraw/zinc/06/31/93/432063193.db2.gz OYVTXRWWLFONOU-SFHVURJKSA-N 0 3 324.424 3.177 20 10 DGCDHN O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-])c1ccccc1 ZINC000179566980 432063196 /nfs/dbraw/zinc/06/31/96/432063196.db2.gz OYVTXRWWLFONOU-SFHVURJKSA-N 0 3 324.424 3.177 20 10 DGCDHN COc1ccc(N2CCCN(Cc3cncc(C)c3)CC2)cc1 ZINC000189801160 432090739 /nfs/dbraw/zinc/09/07/39/432090739.db2.gz QGOSTPFSBXMEQM-UHFFFAOYSA-N 0 3 311.429 3.111 20 10 DGCDHN CC[C@H]([NH2+]CCCN(C)C)c1cc(Br)ccc1[O-] ZINC000019958821 182170265 /nfs/dbraw/zinc/17/02/65/182170265.db2.gz HTFAQLZYKWYVDT-ZDUSSCGKSA-N 0 3 315.255 3.147 20 10 DGCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc([S@](C)=O)cc1 ZINC000268896278 432146052 /nfs/dbraw/zinc/14/60/52/432146052.db2.gz ZDTQKOQIELWCMB-DMZKTXOQSA-N 0 3 315.438 3.210 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000179884714 533521548 /nfs/dbraw/zinc/52/15/48/533521548.db2.gz LWFACQQGHGSHBN-RHSMWYFYSA-N 0 3 310.397 3.238 20 10 DGCDHN Cc1cccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000271812870 129962995 /nfs/dbraw/zinc/96/29/95/129962995.db2.gz LFUQUNMLXDNWNP-YEJXKQKISA-N 0 3 303.427 3.289 20 10 DGCDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000272659794 130051111 /nfs/dbraw/zinc/05/11/11/130051111.db2.gz RFZCSXFBFXGTMC-KBPBESRZSA-N 0 3 320.433 3.127 20 10 DGCDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000272659794 130051112 /nfs/dbraw/zinc/05/11/12/130051112.db2.gz RFZCSXFBFXGTMC-KBPBESRZSA-N 0 3 320.433 3.127 20 10 DGCDHN COC[C@H](CN[C@H](C)c1ccc(N2CCCCCC2)cc1)OC ZINC000272699685 130055625 /nfs/dbraw/zinc/05/56/25/130055625.db2.gz RTMVZLNDPAEKRP-APWZRJJASA-N 0 3 320.477 3.379 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000272827775 130067738 /nfs/dbraw/zinc/06/77/38/130067738.db2.gz HCCOOFAFPZWKDX-OLZOCXBDSA-N 0 3 310.397 3.323 20 10 DGCDHN CCCOc1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000273028948 130083447 /nfs/dbraw/zinc/08/34/47/130083447.db2.gz FWWPWYXNPXKFOC-CABCVRRESA-N 0 3 307.434 3.476 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273437596 130122847 /nfs/dbraw/zinc/12/28/47/130122847.db2.gz XNPCJOZMIJQNEX-GOEBONIOSA-N 0 3 317.404 3.342 20 10 DGCDHN C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc2c(cc1[O-])CCCC2 ZINC000273530758 130134037 /nfs/dbraw/zinc/13/40/37/130134037.db2.gz WECUMMXSFVSHDG-BMIGLBTASA-N 0 3 317.351 3.235 20 10 DGCDHN COCCCN1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273563837 130136921 /nfs/dbraw/zinc/13/69/21/130136921.db2.gz IVZDIBCKGLEEAM-MRXNPFEDSA-N 0 3 320.477 3.161 20 10 DGCDHN Cc1ccc(O)c([C@H](C)NCc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273574694 130139221 /nfs/dbraw/zinc/13/92/21/130139221.db2.gz LNSOIZWPHKRLDC-AWEZNQCLSA-N 0 3 324.424 3.444 20 10 DGCDHN C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275300876 130302757 /nfs/dbraw/zinc/30/27/57/130302757.db2.gz QLWUCNARZNWHGD-JLCFBVMHSA-N 0 3 317.454 3.258 20 10 DGCDHN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275300876 130302761 /nfs/dbraw/zinc/30/27/61/130302761.db2.gz QLWUCNARZNWHGD-JLCFBVMHSA-N 0 3 317.454 3.258 20 10 DGCDHN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])cc1 ZINC000284113304 131050279 /nfs/dbraw/zinc/05/02/79/131050279.db2.gz NLTAPMWYVQCQRN-KSSFIOAISA-N 0 3 315.413 3.402 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)N2CCCCC2)c([O-])c1 ZINC000284879839 131118130 /nfs/dbraw/zinc/11/81/30/131118130.db2.gz BJMAGUFMTAHZLH-HNNXBMFYSA-N 0 3 304.434 3.062 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000285304477 131156285 /nfs/dbraw/zinc/15/62/85/131156285.db2.gz SGAZFFRMOZDUSL-GJZGRUSLSA-N 0 3 305.418 3.345 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285641538 131189017 /nfs/dbraw/zinc/18/90/17/131189017.db2.gz KZPFKXFEVUPGDS-SUYBPPKGSA-N 0 3 304.434 3.045 20 10 DGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000286879628 131253580 /nfs/dbraw/zinc/25/35/80/131253580.db2.gz ICYPIHYTBZALOG-OAHLLOKOSA-N 0 3 321.428 3.184 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@H]2COc3ccccc32)c([O-])c1 ZINC000288627375 131333453 /nfs/dbraw/zinc/33/34/53/131333453.db2.gz SHAIIQGFRLVTPB-HNNXBMFYSA-N 0 3 313.397 3.447 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000289243205 131368280 /nfs/dbraw/zinc/36/82/80/131368280.db2.gz DTZSPRUOOBQYOT-GUDVDZBRSA-N 0 3 309.409 3.397 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000289243205 131368282 /nfs/dbraw/zinc/36/82/82/131368282.db2.gz DTZSPRUOOBQYOT-GUDVDZBRSA-N 0 3 309.409 3.397 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCCc2cccc(C)n2)c1[O-] ZINC000289348076 131377195 /nfs/dbraw/zinc/37/71/95/131377195.db2.gz IRWJIWKLHHQCDU-UHFFFAOYSA-N 0 3 320.820 3.480 20 10 DGCDHN O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297734138 132031927 /nfs/dbraw/zinc/03/19/27/132031927.db2.gz NRMJZFSGZHUQSM-QGZVFWFLSA-N 0 3 322.408 3.062 20 10 DGCDHN NC(=O)C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093808714 400255758 /nfs/dbraw/zinc/25/57/58/400255758.db2.gz FVUCQXYUUYUYKE-OAHLLOKOSA-N 0 3 324.424 3.147 20 10 DGCDHN NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093808714 400255759 /nfs/dbraw/zinc/25/57/59/400255759.db2.gz FVUCQXYUUYUYKE-OAHLLOKOSA-N 0 3 324.424 3.147 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c([O-])c1C ZINC000297390224 227103858 /nfs/dbraw/zinc/10/38/58/227103858.db2.gz RSTQKNYNZOGKHM-RHSMWYFYSA-N 0 3 317.404 3.402 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000179877853 228353600 /nfs/dbraw/zinc/35/36/00/228353600.db2.gz ZKLHYMDQEOGXBY-YJBOKZPZSA-N 0 3 324.424 3.234 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccccc2N(C)C)c1[O-] ZINC000273755839 274095186 /nfs/dbraw/zinc/09/51/86/274095186.db2.gz OEODGLFMWPKPFE-UHFFFAOYSA-N 0 3 320.820 3.410 20 10 DGCDHN COc1ccc(N2CCCN(C[C@H]3CCC(C)(C)O3)CC2)cc1 ZINC000184665748 274113382 /nfs/dbraw/zinc/11/33/82/274113382.db2.gz JNUDZTVBXWZMTJ-GOSISDBHSA-N 0 3 318.461 3.165 20 10 DGCDHN COc1ccc(CN[C@H](C)c2ccc(NC(N)=O)cc2)cc1C ZINC000237169146 277899001 /nfs/dbraw/zinc/89/90/01/277899001.db2.gz RSPQEENNSZOAMZ-CYBMUJFWSA-N 0 3 313.401 3.345 20 10 DGCDHN Cc1ccc([C@H](O)CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000113326189 431341323 /nfs/dbraw/zinc/34/13/23/431341323.db2.gz ICCJATXAFWVVCK-GOSISDBHSA-N 0 3 302.393 3.023 20 10 DGCDHN Cc1cccnc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000093193166 431914765 /nfs/dbraw/zinc/91/47/65/431914765.db2.gz OEFXRBODIFSOPD-QGZVFWFLSA-N 0 3 312.413 3.277 20 10 DGCDHN COc1cccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000093704394 431917182 /nfs/dbraw/zinc/91/71/82/431917182.db2.gz DBRLVVYAKIMQRD-QGZVFWFLSA-N 0 3 312.413 3.477 20 10 DGCDHN COc1cccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000093704394 431917184 /nfs/dbraw/zinc/91/71/84/431917184.db2.gz DBRLVVYAKIMQRD-QGZVFWFLSA-N 0 3 312.413 3.477 20 10 DGCDHN COc1cccc(CN2CCCC[C@H]2c2cccn2C)c1O ZINC000093845472 431918672 /nfs/dbraw/zinc/91/86/72/431918672.db2.gz ZHYGBIJADGSJIG-INIZCTEOSA-N 0 3 300.402 3.467 20 10 DGCDHN CCOc1ccc(O)c(CN(C)[C@@H]2CCCc3c2cnn3C)c1 ZINC000093864281 431918753 /nfs/dbraw/zinc/91/87/53/431918753.db2.gz NWHXSLRPZAOTEY-MRXNPFEDSA-N 0 3 315.417 3.034 20 10 DGCDHN CCN(CC)c1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000091856782 431906675 /nfs/dbraw/zinc/90/66/75/431906675.db2.gz KLOPYCHTQYNVQC-ZWKOTPCHSA-N 0 3 320.502 3.239 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000183631391 432311466 /nfs/dbraw/zinc/31/14/66/432311466.db2.gz LKKIGOQOWIENGB-WBVHZDCISA-N 0 3 324.424 3.092 20 10 DGCDHN CN(CCSc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000192553477 432386589 /nfs/dbraw/zinc/38/65/89/432386589.db2.gz QLRGVEONYPJRTF-UHFFFAOYSA-N 0 3 309.416 3.275 20 10 DGCDHN CCCCCC(=O)NC1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000271696214 432421744 /nfs/dbraw/zinc/42/17/44/432421744.db2.gz BFUMYYZWQHSVQZ-UHFFFAOYSA-N 0 3 318.461 3.362 20 10 DGCDHN COc1ccc(CNCc2cc(Cl)cc(OC)c2O)cc1O ZINC000184706837 432423450 /nfs/dbraw/zinc/42/34/50/432423450.db2.gz HDEPXSUYSHECBT-UHFFFAOYSA-N 0 3 323.776 3.058 20 10 DGCDHN CN(C)c1ccc(CN(C)Cc2ccc3c(c2)ncn3C)cc1 ZINC000271799154 432424160 /nfs/dbraw/zinc/42/41/60/432424160.db2.gz KZBVURYVRCOIPE-UHFFFAOYSA-N 0 3 308.429 3.271 20 10 DGCDHN CCC[N@H+](Cc1cc(OC)ccc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271881335 432425761 /nfs/dbraw/zinc/42/57/61/432425761.db2.gz VCMIBZOWTZOLPB-CGTJXYLNSA-N 0 3 319.445 3.426 20 10 DGCDHN CCC[N@@H+](Cc1cc(OC)ccc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271881335 432425766 /nfs/dbraw/zinc/42/57/66/432425766.db2.gz VCMIBZOWTZOLPB-CGTJXYLNSA-N 0 3 319.445 3.426 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c([O-])c1 ZINC000193503678 432478376 /nfs/dbraw/zinc/47/83/76/432478376.db2.gz FTOANGTWHQKDBA-OLZOCXBDSA-N 0 3 316.367 3.235 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442304 432500775 /nfs/dbraw/zinc/50/07/75/432500775.db2.gz CQFMXTSAMCDACV-UONOGXRCSA-N 0 3 320.433 3.361 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)c1 ZINC000185501445 432506957 /nfs/dbraw/zinc/50/69/57/432506957.db2.gz ZITCUFHQNZPQAT-WDEREUQCSA-N 0 3 304.390 3.287 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000185528966 432508416 /nfs/dbraw/zinc/50/84/16/432508416.db2.gz PYILAMGWWRESSV-ZBEGNZNMSA-N 0 3 307.415 3.021 20 10 DGCDHN Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000193911351 432509404 /nfs/dbraw/zinc/50/94/04/432509404.db2.gz QIFBESRKNVIFFJ-HNNXBMFYSA-N 0 3 312.413 3.090 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000185580032 432511060 /nfs/dbraw/zinc/51/10/60/432511060.db2.gz QAIGFFZDLVCADZ-OAHLLOKOSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000185580032 432511065 /nfs/dbraw/zinc/51/10/65/432511065.db2.gz QAIGFFZDLVCADZ-OAHLLOKOSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c([O-])c1 ZINC000185079381 432463053 /nfs/dbraw/zinc/46/30/53/432463053.db2.gz FLFIJIMGXOXSLS-OAHLLOKOSA-N 0 3 312.413 3.010 20 10 DGCDHN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cn1 ZINC000185084409 432464746 /nfs/dbraw/zinc/46/47/46/432464746.db2.gz IEMGAEFDVVNSLT-CQSZACIVSA-N 0 3 322.412 3.441 20 10 DGCDHN C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(F)ccc1[O-] ZINC000185091338 432465898 /nfs/dbraw/zinc/46/58/98/432465898.db2.gz UWXOHZJSVMPCAQ-GFCCVEGCSA-N 0 3 308.397 3.021 20 10 DGCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000185129465 432470026 /nfs/dbraw/zinc/47/00/26/432470026.db2.gz YXORFANWWOHOKT-HZPDHXFCSA-N 0 3 315.413 3.100 20 10 DGCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186068440 432555883 /nfs/dbraw/zinc/55/58/83/432555883.db2.gz APYLNTNGXVAXLZ-CQSZACIVSA-N 0 3 316.401 3.073 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ncccc2Cl)c([O-])c1 ZINC000186107191 432559112 /nfs/dbraw/zinc/55/91/12/432559112.db2.gz RKEYMSVOAXRHQY-GFCCVEGCSA-N 0 3 306.793 3.479 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000263642441 432560483 /nfs/dbraw/zinc/56/04/83/432560483.db2.gz AFEBDGTXKQTIKE-HNNXBMFYSA-N 0 3 311.303 3.072 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1[O-] ZINC000186137015 432561719 /nfs/dbraw/zinc/56/17/19/432561719.db2.gz ROJDQMRYXHRTCR-DETPVDSQSA-N 0 3 311.422 3.237 20 10 DGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1Oc1ccccc1 ZINC000186161941 432563447 /nfs/dbraw/zinc/56/34/47/432563447.db2.gz URCUZOJPNNQFTQ-QRQLOZEOSA-N 0 3 313.397 3.107 20 10 DGCDHN C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185673686 432522579 /nfs/dbraw/zinc/52/25/79/432522579.db2.gz CFHCFJITWLJPTD-KEYYUXOJSA-N 0 3 319.445 3.116 20 10 DGCDHN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185673652 432523056 /nfs/dbraw/zinc/52/30/56/432523056.db2.gz CFHCFJITWLJPTD-JKIFEVAISA-N 0 3 319.445 3.116 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000272805509 432534149 /nfs/dbraw/zinc/53/41/49/432534149.db2.gz BZUTUJHKETZXOI-HIFRSBDPSA-N 0 3 303.377 3.033 20 10 DGCDHN C[C@H](NCCn1ccnc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000155646956 432565896 /nfs/dbraw/zinc/56/58/96/432565896.db2.gz RIMIJVPHAMWWCC-HNNXBMFYSA-N 0 3 316.424 3.363 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000186189608 432566673 /nfs/dbraw/zinc/56/66/73/432566673.db2.gz VCUVUZQKDDLAOO-ACJLOTCBSA-N 0 3 303.377 3.398 20 10 DGCDHN CCCC[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273607447 432616877 /nfs/dbraw/zinc/61/68/77/432616877.db2.gz URIMHRBFSPLHKX-ZDUSSCGKSA-N 0 3 321.421 3.216 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1C ZINC000273467236 432602499 /nfs/dbraw/zinc/60/24/99/432602499.db2.gz FAZRCQDNZUEZJI-XHSDSOJGSA-N 0 3 318.461 3.307 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCSCCCO ZINC000264394620 432641963 /nfs/dbraw/zinc/64/19/63/432641963.db2.gz MZCOZPNAKHUSDV-UHFFFAOYSA-N 0 3 317.454 3.264 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCCO)c1[O-] ZINC000187294810 432656435 /nfs/dbraw/zinc/65/64/35/432656435.db2.gz YGYWWXQXXZPBTI-GHMZBOCLSA-N 0 3 316.239 3.275 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000227684612 432713771 /nfs/dbraw/zinc/71/37/71/432713771.db2.gz UWIZBLKDBCXMJW-CHWSQXEVSA-N 0 3 308.422 3.264 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CN2CCCCC2)c1[O-] ZINC000228670928 432719569 /nfs/dbraw/zinc/71/95/69/432719569.db2.gz BHMDABGREFSMOO-GFCCVEGCSA-N 0 3 312.841 3.018 20 10 DGCDHN C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000187904683 432691941 /nfs/dbraw/zinc/69/19/41/432691941.db2.gz KZCGWMMDDDTUOU-UGSOOPFHSA-N 0 3 303.377 3.480 20 10 DGCDHN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC000276013978 432766739 /nfs/dbraw/zinc/76/67/39/432766739.db2.gz QFNUTGVLLAYGKT-SFHVURJKSA-N 0 3 302.462 3.270 20 10 DGCDHN C[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000178742243 432773379 /nfs/dbraw/zinc/77/33/79/432773379.db2.gz GYKOYVUXMHKFRJ-OAHLLOKOSA-N 0 3 321.428 3.184 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1[O-] ZINC000237233762 432781458 /nfs/dbraw/zinc/78/14/58/432781458.db2.gz WFDXWCMRSIBAEO-CYBMUJFWSA-N 0 3 301.386 3.217 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000276979721 432827935 /nfs/dbraw/zinc/82/79/35/432827935.db2.gz VQEPXGAVOQTMHA-PBHICJAKSA-N 0 3 316.445 3.367 20 10 DGCDHN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000277223590 432831230 /nfs/dbraw/zinc/83/12/30/432831230.db2.gz LMUYZDXPLXFUND-TUAOUCFPSA-N 0 3 318.421 3.444 20 10 DGCDHN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000277223587 432831751 /nfs/dbraw/zinc/83/17/51/432831751.db2.gz LMUYZDXPLXFUND-SRVKXCTJSA-N 0 3 318.421 3.444 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCSC1)C[C@@H]1CCCO1 ZINC000278392291 432893289 /nfs/dbraw/zinc/89/32/89/432893289.db2.gz AIXXADAQSIIVRB-ZBFHGGJFSA-N 0 3 307.459 3.126 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCSC1)C[C@@H]1CCCO1 ZINC000278392291 432893291 /nfs/dbraw/zinc/89/32/91/432893291.db2.gz AIXXADAQSIIVRB-ZBFHGGJFSA-N 0 3 307.459 3.126 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296353160 432899908 /nfs/dbraw/zinc/89/99/08/432899908.db2.gz IKVLGHKHPZECKN-HUUCEWRRSA-N 0 3 318.461 3.375 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296353160 432899910 /nfs/dbraw/zinc/89/99/10/432899910.db2.gz IKVLGHKHPZECKN-HUUCEWRRSA-N 0 3 318.461 3.375 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[O-] ZINC000289915108 432979365 /nfs/dbraw/zinc/97/93/65/432979365.db2.gz VHVRPNVRUQAKPW-DOMZBBRYSA-N 0 3 324.852 3.113 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(C)cc1[O-] ZINC000279968036 432999556 /nfs/dbraw/zinc/99/95/56/432999556.db2.gz CSDFFCAZALBKIV-INIZCTEOSA-N 0 3 313.401 3.432 20 10 DGCDHN CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(C)cc1[O-] ZINC000280024245 433000475 /nfs/dbraw/zinc/00/04/75/433000475.db2.gz HOZMGSNMHNNXIJ-MRXNPFEDSA-N 0 3 318.461 3.390 20 10 DGCDHN CC[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(C)cc1[O-] ZINC000280113112 433001769 /nfs/dbraw/zinc/00/17/69/433001769.db2.gz NSKRAFFMCPHDML-GOEBONIOSA-N 0 3 305.418 3.427 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CC[C@](CO)(CCC)C2)c([O-])c1 ZINC000290169218 433004782 /nfs/dbraw/zinc/00/47/82/433004782.db2.gz MQTDASAAZWKVRY-GOSISDBHSA-N 0 3 307.434 3.166 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CC[C@](CO)(CCC)C2)c([O-])c1 ZINC000290169218 433004786 /nfs/dbraw/zinc/00/47/86/433004786.db2.gz MQTDASAAZWKVRY-GOSISDBHSA-N 0 3 307.434 3.166 20 10 DGCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000290452491 433053853 /nfs/dbraw/zinc/05/38/53/433053853.db2.gz MLXQQZYLPVEZGJ-MRXNPFEDSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000290452491 433053857 /nfs/dbraw/zinc/05/38/57/433053857.db2.gz MLXQQZYLPVEZGJ-MRXNPFEDSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000290452491 433053861 /nfs/dbraw/zinc/05/38/61/433053861.db2.gz MLXQQZYLPVEZGJ-MRXNPFEDSA-N 0 3 315.417 3.468 20 10 DGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)c([O-])c1 ZINC000290447259 433054360 /nfs/dbraw/zinc/05/43/60/433054360.db2.gz MDDBRNXRERBSAQ-GOSISDBHSA-N 0 3 307.434 3.308 20 10 DGCDHN CCCOc1ccc(C[N@H+]2CCC[C@]2(C)CCCO)c([O-])c1 ZINC000290447259 433054363 /nfs/dbraw/zinc/05/43/63/433054363.db2.gz MDDBRNXRERBSAQ-GOSISDBHSA-N 0 3 307.434 3.308 20 10 DGCDHN CCOc1cccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000290997445 433215700 /nfs/dbraw/zinc/21/57/00/433215700.db2.gz APVCVKMNYHFJHF-RDJZCZTQSA-N 0 3 305.418 3.180 20 10 DGCDHN Cc1cc([O-])c(C[NH2+]C2CCN(c3nccs3)CC2)cc1C ZINC000282147155 433511859 /nfs/dbraw/zinc/51/18/59/433511859.db2.gz HLSKQSGDDJVIEG-UHFFFAOYSA-N 0 3 317.458 3.224 20 10 DGCDHN Cc1cccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1[O-] ZINC000362234212 433594555 /nfs/dbraw/zinc/59/45/55/433594555.db2.gz HJZSOOLBTZEZJM-UHFFFAOYSA-N 0 3 307.397 3.391 20 10 DGCDHN Cc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000292864109 433600457 /nfs/dbraw/zinc/60/04/57/433600457.db2.gz VRBIKLFUXLPIEA-OAHLLOKOSA-N 0 3 300.377 3.208 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccccc1[O-] ZINC000293564767 433781745 /nfs/dbraw/zinc/78/17/45/433781745.db2.gz AUOAEWJODDTZFK-OAHLLOKOSA-N 0 3 312.413 3.080 20 10 DGCDHN CCOc1ccc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293580030 433790169 /nfs/dbraw/zinc/79/01/69/433790169.db2.gz HRAALBIQYKLWDQ-SFHVURJKSA-N 0 3 317.429 3.182 20 10 DGCDHN CCOc1ccc([O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293580030 433790178 /nfs/dbraw/zinc/79/01/78/433790178.db2.gz HRAALBIQYKLWDQ-SFHVURJKSA-N 0 3 317.429 3.182 20 10 DGCDHN C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])CN(C)C ZINC000293714128 433836351 /nfs/dbraw/zinc/83/63/51/433836351.db2.gz PBZZJOZPAABSEJ-QWRGUYRKSA-N 0 3 315.255 3.003 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000377836166 434013991 /nfs/dbraw/zinc/01/39/91/434013991.db2.gz ZGRTZDRQUNOPCC-LSDHHAIUSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000377836166 434013999 /nfs/dbraw/zinc/01/39/99/434013999.db2.gz ZGRTZDRQUNOPCC-LSDHHAIUSA-N 0 3 305.418 3.039 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c1[O-] ZINC000295014678 434158750 /nfs/dbraw/zinc/15/87/50/434158750.db2.gz MKTNEGNFBQEAIW-CQSZACIVSA-N 0 3 313.825 3.301 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c1[O-] ZINC000295014678 434158759 /nfs/dbraw/zinc/15/87/59/434158759.db2.gz MKTNEGNFBQEAIW-CQSZACIVSA-N 0 3 313.825 3.301 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1 ZINC000363853944 434169287 /nfs/dbraw/zinc/16/92/87/434169287.db2.gz LFFDFASGSTXYKI-CQSZACIVSA-N 0 3 308.385 3.132 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(-n3ccnc3)nc2)c1 ZINC000363853944 434169291 /nfs/dbraw/zinc/16/92/91/434169291.db2.gz LFFDFASGSTXYKI-CQSZACIVSA-N 0 3 308.385 3.132 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c([O-])c1C ZINC000363870553 434172318 /nfs/dbraw/zinc/17/23/18/434172318.db2.gz XSUZVUGLSXWQGQ-BBRMVZONSA-N 0 3 311.429 3.316 20 10 DGCDHN CCC[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1[O-] ZINC000295438431 434363146 /nfs/dbraw/zinc/36/31/46/434363146.db2.gz UJFZDQKBRASQFH-UHFFFAOYSA-N 0 3 309.360 3.266 20 10 DGCDHN CCC[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1[O-] ZINC000295438431 434363159 /nfs/dbraw/zinc/36/31/59/434363159.db2.gz UJFZDQKBRASQFH-UHFFFAOYSA-N 0 3 309.360 3.266 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000295804959 434437672 /nfs/dbraw/zinc/43/76/72/434437672.db2.gz CKNCQTPLLAZKIB-SFHVURJKSA-N 0 3 324.424 3.006 20 10 DGCDHN COc1cccc(C[NH+]2CCC(Cc3cccnc3)CC2)c1[O-] ZINC000359960979 434452787 /nfs/dbraw/zinc/45/27/87/434452787.db2.gz QPANREDHBLGTJM-UHFFFAOYSA-N 0 3 312.413 3.251 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc2c(cc1[O-])CCCC2 ZINC000370397826 434611702 /nfs/dbraw/zinc/61/17/02/434611702.db2.gz OHHSYNIFKDYKCA-MLGOLLRUSA-N 0 3 311.429 3.202 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000371546739 434729998 /nfs/dbraw/zinc/72/99/98/434729998.db2.gz NZKZLFSYQPNCOK-YJYMSZOUSA-N 0 3 313.397 3.365 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cc(F)ccc1[O-] ZINC000371869751 434764876 /nfs/dbraw/zinc/76/48/76/434764876.db2.gz KEVJZJSOSWXRIO-KZULUSFZSA-N 0 3 301.361 3.496 20 10 DGCDHN CCOc1ccccc1N(C)C(=O)c1cccc2c1CCNC2 ZINC000662805851 436387989 /nfs/dbraw/zinc/38/79/89/436387989.db2.gz NONGNADIGVKRMF-UHFFFAOYSA-N 0 3 310.397 3.008 20 10 DGCDHN Cc1ccc([C@@H](C[NH2+]Cc2ccccc2[O-])N2CCCC2)o1 ZINC000237887248 301717037 /nfs/dbraw/zinc/71/70/37/301717037.db2.gz IZOSBNUDBUDJDB-MRXNPFEDSA-N 0 3 300.402 3.220 20 10 DGCDHN Cc1ccc(C[C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)s1 ZINC000080228376 331683913 /nfs/dbraw/zinc/68/39/13/331683913.db2.gz KXXAJUZSUXHFJF-SNVBAGLBSA-N 0 3 305.399 3.212 20 10 DGCDHN CCCOc1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)c([O-])c1 ZINC000265877528 520368768 /nfs/dbraw/zinc/36/87/68/520368768.db2.gz NNPCFTXYPBDWAF-KRWDZBQOSA-N 0 3 321.442 3.240 20 10 DGCDHN CCOc1ccc(O)c(CNCc2ccccc2N(C)C)c1 ZINC000267889701 521153091 /nfs/dbraw/zinc/15/30/91/521153091.db2.gz SKPKUSCVRJHBFC-UHFFFAOYSA-N 0 3 300.402 3.147 20 10 DGCDHN CC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000156961417 522624970 /nfs/dbraw/zinc/62/49/70/522624970.db2.gz BQBFSUMMKRRSSK-FUHWJXTLSA-N 0 3 303.377 3.480 20 10 DGCDHN COc1cc(O)c(CN(C)Cc2ccc(C)s2)cc1OC ZINC000160124390 522772023 /nfs/dbraw/zinc/77/20/23/522772023.db2.gz YZOFZIFSWQBAQQ-UHFFFAOYSA-N 0 3 307.415 3.411 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H](SC)C2)cc1OC ZINC000180763390 522773426 /nfs/dbraw/zinc/77/34/26/522773426.db2.gz LGGRHUZMDXFCBO-CYBMUJFWSA-N 0 3 311.447 3.127 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@@H](SC)C2)cc1OC ZINC000180763390 522773435 /nfs/dbraw/zinc/77/34/35/522773435.db2.gz LGGRHUZMDXFCBO-CYBMUJFWSA-N 0 3 311.447 3.127 20 10 DGCDHN COc1cc(O)c(CN(C)Cc2ccccc2C)cc1OC ZINC000159482703 522775143 /nfs/dbraw/zinc/77/51/43/522775143.db2.gz CDLJUHUSMBKUMJ-UHFFFAOYSA-N 0 3 301.386 3.350 20 10 DGCDHN CC[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000268783643 522878164 /nfs/dbraw/zinc/87/81/64/522878164.db2.gz UZZFSJWDYUHXLN-GOSISDBHSA-N 0 3 312.461 3.455 20 10 DGCDHN CO[C@@H](C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000191204577 523418000 /nfs/dbraw/zinc/41/80/00/523418000.db2.gz NYRYPEDAEHJSAE-AWEZNQCLSA-N 0 3 301.386 3.096 20 10 DGCDHN COc1ccc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1C ZINC000267168874 524074476 /nfs/dbraw/zinc/07/44/76/524074476.db2.gz HLMTUDGOTNCWJF-SCLBCKFNSA-N 0 3 303.377 3.354 20 10 DGCDHN COc1ccc(N2CCC(NCc3ncccc3C)CC2)cc1 ZINC000154639188 524403215 /nfs/dbraw/zinc/40/32/15/524403215.db2.gz BDNZTBNSUFAWOM-UHFFFAOYSA-N 0 3 311.429 3.157 20 10 DGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000182432559 524766027 /nfs/dbraw/zinc/76/60/27/524766027.db2.gz QPBYCWMCBBYJAA-OLZOCXBDSA-N 0 3 314.385 3.079 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c1 ZINC000188680895 524773189 /nfs/dbraw/zinc/77/31/89/524773189.db2.gz WZXCZZLFQOGMTB-UGSOOPFHSA-N 0 3 307.434 3.383 20 10 DGCDHN Cc1ccc2c(CC[NH2+]Cc3cc4c(cc3[O-])OCO4)c[nH]c2c1 ZINC000237817959 526126037 /nfs/dbraw/zinc/12/60/37/526126037.db2.gz INJJDQAGNXKSCZ-UHFFFAOYSA-N 0 3 324.380 3.243 20 10 DGCDHN O=C(CCCC[NH2+]Cc1ccccc1[O-])OCc1ccccc1 ZINC000181028773 526425914 /nfs/dbraw/zinc/42/59/14/526425914.db2.gz LCRJNOYYRXKDDY-UHFFFAOYSA-N 0 3 313.397 3.396 20 10 DGCDHN CCOc1cccc(CNC(C)(C)c2c(C)noc2C)c1O ZINC000285508606 535457131 /nfs/dbraw/zinc/45/71/31/535457131.db2.gz NXEZIIAZVRNBEL-UHFFFAOYSA-N 0 3 304.390 3.421 20 10 DGCDHN CCOc1ccc(O)c(CNC(C)(C)c2c(C)noc2C)c1 ZINC000285354573 535751615 /nfs/dbraw/zinc/75/16/15/535751615.db2.gz AWUOPWVCVAGNJF-UHFFFAOYSA-N 0 3 304.390 3.421 20 10 DGCDHN CC[C@@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1ccccc1[O-] ZINC000274960048 535803813 /nfs/dbraw/zinc/80/38/13/535803813.db2.gz WLAMRPNXRLHYGM-QGZVFWFLSA-N 0 3 312.413 3.171 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccccc1[O-] ZINC000285859568 535808156 /nfs/dbraw/zinc/80/81/56/535808156.db2.gz ZQMHENDQORFBRN-CKEIUWERSA-N 0 3 304.434 3.126 20 10 DGCDHN COc1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cc1F ZINC000297519365 536843162 /nfs/dbraw/zinc/84/31/62/536843162.db2.gz CZAMFRDRZDOSRW-HNNXBMFYSA-N 0 3 301.361 3.360 20 10 DGCDHN CN1CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000731041542 574541795 /nfs/dbraw/zinc/54/17/95/574541795.db2.gz FYQLMYCJYFCCND-INIZCTEOSA-N 0 3 310.441 3.491 20 10 DGCDHN Cn1cccc1C(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC000731846086 574560421 /nfs/dbraw/zinc/56/04/21/574560421.db2.gz QUFNOOXTURVLBD-UHFFFAOYSA-N 0 3 312.413 3.358 20 10 DGCDHN Oc1cc2c(cc1CN[C@H]1CSc3ccccc31)OCO2 ZINC000735508887 574704774 /nfs/dbraw/zinc/70/47/74/574704774.db2.gz PTDPFBKLHFEBCZ-LBPRGKRZSA-N 0 3 301.367 3.058 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCOC[C@H]1CCCO1)C1CCCC1 ZINC000741248689 574954056 /nfs/dbraw/zinc/95/40/56/574954056.db2.gz BDSRIBQNZFBXAM-GOSISDBHSA-N 0 3 319.445 3.332 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCOC[C@H]1CCCO1)C1CCCC1 ZINC000741248689 574954057 /nfs/dbraw/zinc/95/40/57/574954057.db2.gz BDSRIBQNZFBXAM-GOSISDBHSA-N 0 3 319.445 3.332 20 10 DGCDHN COCCOC[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742377932 574993968 /nfs/dbraw/zinc/99/39/68/574993968.db2.gz ZSBGYGNMQAZGKD-HNNXBMFYSA-N 0 3 315.413 3.200 20 10 DGCDHN C[C@@H]1Cc2ccccc2N1CCNCc1ccc2c(c1)CCO2 ZINC000742709377 575014183 /nfs/dbraw/zinc/01/41/83/575014183.db2.gz KKYZBMSTDSEUBD-OAHLLOKOSA-N 0 3 308.425 3.162 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000729681963 575260519 /nfs/dbraw/zinc/26/05/19/575260519.db2.gz PJSAIXDMOVJPPK-GOSISDBHSA-N 0 3 308.425 3.386 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H](COC)Cc2ccccc2)c1[O-] ZINC000747100910 575496279 /nfs/dbraw/zinc/49/62/79/575496279.db2.gz XZVHDKYOOQTTCG-QGZVFWFLSA-N 0 3 315.413 3.138 20 10 DGCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CCN(C)C ZINC000747173223 575503268 /nfs/dbraw/zinc/50/32/68/575503268.db2.gz NMBHKDDKDPNCPS-UHFFFAOYSA-N 0 3 313.445 3.036 20 10 DGCDHN CCN(CC)c1ccc(CN(C)C/C=C(\C)C(=O)OC)cc1 ZINC000748809996 575608915 /nfs/dbraw/zinc/60/89/15/575608915.db2.gz OXWKKKGHBKXNSW-NTCAYCPXSA-N 0 3 304.434 3.084 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000749129647 575629070 /nfs/dbraw/zinc/62/90/70/575629070.db2.gz RZAMYQNJXUJBMZ-MLGOLLRUSA-N 0 3 308.853 3.398 20 10 DGCDHN CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000750827074 575753910 /nfs/dbraw/zinc/75/39/10/575753910.db2.gz VJTVNYCWBRCLNJ-BLLLJJGKSA-N 0 3 322.424 3.039 20 10 DGCDHN CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000750827074 575753913 /nfs/dbraw/zinc/75/39/13/575753913.db2.gz VJTVNYCWBRCLNJ-BLLLJJGKSA-N 0 3 322.424 3.039 20 10 DGCDHN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000751605003 575792927 /nfs/dbraw/zinc/79/29/27/575792927.db2.gz NTJJEGMGRFCIRP-CJNGLKHVSA-N 0 3 311.381 3.499 20 10 DGCDHN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000751605003 575792928 /nfs/dbraw/zinc/79/29/28/575792928.db2.gz NTJJEGMGRFCIRP-CJNGLKHVSA-N 0 3 311.381 3.499 20 10 DGCDHN C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725847035 575929033 /nfs/dbraw/zinc/92/90/33/575929033.db2.gz BGLXTMRFFXWTJA-HNNXBMFYSA-N 0 3 307.397 3.434 20 10 DGCDHN COC[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000739868798 576038292 /nfs/dbraw/zinc/03/82/92/576038292.db2.gz FMHUFPFTOSLMKM-ZDUSSCGKSA-N 0 3 301.386 3.022 20 10 DGCDHN COC[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000739868798 576038295 /nfs/dbraw/zinc/03/82/95/576038295.db2.gz FMHUFPFTOSLMKM-ZDUSSCGKSA-N 0 3 301.386 3.022 20 10 DGCDHN CN1CCCc2cc(CNC[C@H](O)c3cccc(F)c3)ccc21 ZINC000727645085 576135810 /nfs/dbraw/zinc/13/58/10/576135810.db2.gz YHBXBMKMVMVARY-IBGZPJMESA-N 0 3 314.404 3.031 20 10 DGCDHN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cccc2c1CCNC2 ZINC000852841888 620651917 /nfs/dbraw/zinc/65/19/17/620651917.db2.gz LWWMZQRGKGIYQJ-AWEZNQCLSA-N 0 3 322.408 3.068 20 10 DGCDHN COc1cccc(CNCc2cnccc2C(F)(F)F)c1O ZINC000853094911 620667978 /nfs/dbraw/zinc/66/79/78/620667978.db2.gz CDCALRJKLWIJOY-UHFFFAOYSA-N 0 3 312.291 3.104 20 10 DGCDHN CC[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccccc1[O-] ZINC000154891289 620736116 /nfs/dbraw/zinc/73/61/16/620736116.db2.gz WHOASYBNOZMFKL-INIZCTEOSA-N 0 3 304.434 3.226 20 10 DGCDHN CC(C)=C(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245782 617759752 /nfs/dbraw/zinc/75/97/52/617759752.db2.gz JAWPFKTYDNJAFC-SFHVURJKSA-N 0 3 317.477 3.218 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000891466830 617809616 /nfs/dbraw/zinc/80/96/16/617809616.db2.gz YJUMOXVLXDQNDV-UHFFFAOYSA-N 0 3 317.385 3.050 20 10 DGCDHN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895069331 618526157 /nfs/dbraw/zinc/52/61/57/618526157.db2.gz WRCQUMRNKSJVOS-UHFFFAOYSA-N 0 3 303.793 3.206 20 10 DGCDHN [O-]c1c(Cl)cccc1C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895069331 618526161 /nfs/dbraw/zinc/52/61/61/618526161.db2.gz WRCQUMRNKSJVOS-UHFFFAOYSA-N 0 3 303.793 3.206 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)Nc1ccccc1 ZINC000840934337 618609846 /nfs/dbraw/zinc/60/98/46/618609846.db2.gz ONCHKZLDEVTQCZ-OAHLLOKOSA-N 0 3 311.429 3.178 20 10 DGCDHN C[C@H](NCc1cn2ccnc2s1)c1ccc(N(C)C)cc1 ZINC000893684189 618638581 /nfs/dbraw/zinc/63/85/81/618638581.db2.gz OZNFRSWWRPOSFR-LBPRGKRZSA-N 0 3 300.431 3.313 20 10 DGCDHN CCC[N@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1[O-] ZINC000893984637 618689424 /nfs/dbraw/zinc/68/94/24/618689424.db2.gz ROMCXVZNWHBIRG-UHFFFAOYSA-N 0 3 311.385 3.386 20 10 DGCDHN CCC[N@@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1[O-] ZINC000893984637 618689426 /nfs/dbraw/zinc/68/94/26/618689426.db2.gz ROMCXVZNWHBIRG-UHFFFAOYSA-N 0 3 311.385 3.386 20 10 DGCDHN CCN1CCC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790961960 625723307 /nfs/dbraw/zinc/72/33/07/625723307.db2.gz FTCQARUBTIVHIR-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN COc1cccc(C2(NCc3cc(C)cc(OC)c3O)CC2)c1 ZINC000894330879 618765559 /nfs/dbraw/zinc/76/55/59/618765559.db2.gz XJQGXTLKKBAKIB-UHFFFAOYSA-N 0 3 313.397 3.497 20 10 DGCDHN Cc1ccc(C2=NO[C@H](C[NH2+]Cc3ccccc3[O-])C2)cc1C ZINC000895499884 618793448 /nfs/dbraw/zinc/79/34/48/618793448.db2.gz ZUBYJDSZUSYPAQ-KRWDZBQOSA-N 0 3 310.397 3.292 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2Cc3cccc([O-])c3C2)C1 ZINC000895786142 618830459 /nfs/dbraw/zinc/83/04/59/618830459.db2.gz YZNAXUIRZVCYDZ-XBXGTLAGSA-N 0 3 318.417 3.011 20 10 DGCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2Cc3cccc([O-])c3C2)C1 ZINC000895786142 618830462 /nfs/dbraw/zinc/83/04/62/618830462.db2.gz YZNAXUIRZVCYDZ-XBXGTLAGSA-N 0 3 318.417 3.011 20 10 DGCDHN CN(C)c1cc(F)c(CN2CC[C@H]([C@H]3CCCO3)C2)cc1F ZINC000895846423 618841371 /nfs/dbraw/zinc/84/13/71/618841371.db2.gz UBKFKXDIUAGFLR-YVEFUNNKSA-N 0 3 310.388 3.032 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1[O-] ZINC000896862473 618972042 /nfs/dbraw/zinc/97/20/42/618972042.db2.gz FLMIDGFJELGCSW-OIBJUYFYSA-N 0 3 309.715 3.342 20 10 DGCDHN CCCN(CCC)c1ccc(CN[C@H](C)C(=O)N(C)CC)cc1 ZINC000788972626 625309698 /nfs/dbraw/zinc/30/96/98/625309698.db2.gz CJCHICHXHLZOOH-MRXNPFEDSA-N 0 3 319.493 3.269 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1[O-] ZINC000897080745 619012164 /nfs/dbraw/zinc/01/21/64/619012164.db2.gz BHPUVCDEWLSFKJ-OAHLLOKOSA-N 0 3 323.824 3.275 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000897298720 619048123 /nfs/dbraw/zinc/04/81/23/619048123.db2.gz HLIODYGVKMNQJP-CYBMUJFWSA-N 0 3 318.442 3.230 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000897298720 619048125 /nfs/dbraw/zinc/04/81/25/619048125.db2.gz HLIODYGVKMNQJP-CYBMUJFWSA-N 0 3 318.442 3.230 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469567 619131653 /nfs/dbraw/zinc/13/16/53/619131653.db2.gz MPIZOGUXXVNLBI-LBPRGKRZSA-N 0 3 316.357 3.202 20 10 DGCDHN COc1c(Cl)cccc1CNCc1cc2c(cc1O)OCO2 ZINC000897483838 619135654 /nfs/dbraw/zinc/13/56/54/619135654.db2.gz WRCUWWITGQWTQU-UHFFFAOYSA-N 0 3 321.760 3.073 20 10 DGCDHN COc1ccccc1N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000897923892 619195787 /nfs/dbraw/zinc/19/57/87/619195787.db2.gz YANIEPMQTYIZMW-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN COc1ccccc1N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000897923892 619195789 /nfs/dbraw/zinc/19/57/89/619195789.db2.gz YANIEPMQTYIZMW-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOC2CCOCC2)c1[O-] ZINC000927077043 619262508 /nfs/dbraw/zinc/26/25/08/619262508.db2.gz QTVIUKIENCCSRR-LBPRGKRZSA-N 0 3 313.825 3.200 20 10 DGCDHN COC(=O)C1(CCCC[NH2+]Cc2c([O-])cccc2OC)CCC1 ZINC000898412971 619271985 /nfs/dbraw/zinc/27/19/85/619271985.db2.gz HHVGJPVIUCRSTJ-UHFFFAOYSA-N 0 3 321.417 3.004 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NCc2cc(N(C)C)ccn2)cc1 ZINC000903201897 619735819 /nfs/dbraw/zinc/73/58/19/619735819.db2.gz QOFYAMOBDHDTDZ-OAHLLOKOSA-N 0 3 312.461 3.455 20 10 DGCDHN CC[C@](O)(CCC(F)(F)F)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903256124 619745768 /nfs/dbraw/zinc/74/57/68/619745768.db2.gz HKDSUBPMNTXTAK-WFASDCNBSA-N 0 3 317.351 3.453 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(C)cc1[O-] ZINC000903389495 619770585 /nfs/dbraw/zinc/77/05/85/619770585.db2.gz LZOMCCUCHAFSSC-RDJZCZTQSA-N 0 3 305.418 3.079 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000915791797 620597779 /nfs/dbraw/zinc/59/77/79/620597779.db2.gz YWUORXGUYVIBCM-UHFFFAOYSA-N 0 3 310.441 3.327 20 10 DGCDHN C[C@@H](NCc1cccc2[nH]c(=O)oc21)c1ccc(N(C)C)cc1 ZINC000922016152 620981010 /nfs/dbraw/zinc/98/10/10/620981010.db2.gz ZLHARWCACCYZPZ-GFCCVEGCSA-N 0 3 311.385 3.450 20 10 DGCDHN O=C1Nc2ccccc2CC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000922225077 621009187 /nfs/dbraw/zinc/00/91/87/621009187.db2.gz QAJWLKHRADZNIH-GOSISDBHSA-N 0 3 322.408 3.055 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1ccc2c(c1)OCCO2 ZINC000115629395 621119235 /nfs/dbraw/zinc/11/92/35/621119235.db2.gz OYFKXADBZQCPPW-UHFFFAOYSA-N 0 3 312.413 3.122 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c([O-])c1 ZINC000922893834 621121731 /nfs/dbraw/zinc/12/17/31/621121731.db2.gz JAQDLOBHCZYNOV-QGZVFWFLSA-N 0 3 303.406 3.011 20 10 DGCDHN CN(C)c1cc(F)c(CNCCc2ccccc2O)cc1F ZINC000858121042 621155404 /nfs/dbraw/zinc/15/54/04/621155404.db2.gz SLIJKBCAXHUWRL-UHFFFAOYSA-N 0 3 306.356 3.069 20 10 DGCDHN C[C@@H](CNCc1cc(F)c(N(C)C)cc1F)c1nccs1 ZINC000858156293 621159936 /nfs/dbraw/zinc/15/99/36/621159936.db2.gz HFBPZFDTEIXHMN-JTQLQIEISA-N 0 3 311.401 3.381 20 10 DGCDHN COc1ccc([C@H](NCc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000858343119 621178384 /nfs/dbraw/zinc/17/83/84/621178384.db2.gz XVZCOUJKHQRBQT-LJQANCHMSA-N 0 3 311.429 3.397 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(F)ccc1[O-] ZINC000858453920 621192940 /nfs/dbraw/zinc/19/29/40/621192940.db2.gz QLVSJOZJAKYGHZ-LRDDRELGSA-N 0 3 301.361 3.323 20 10 DGCDHN CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000858505487 621199433 /nfs/dbraw/zinc/19/94/33/621199433.db2.gz LCORRNSTACVUME-VHRBIJSZSA-N 0 3 319.376 3.321 20 10 DGCDHN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000858583992 621207159 /nfs/dbraw/zinc/20/71/59/621207159.db2.gz KDWALLYVNWSBTA-DLOVCJGASA-N 0 3 314.223 3.291 20 10 DGCDHN CCO[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CC1 ZINC000859191133 621258963 /nfs/dbraw/zinc/25/89/63/621258963.db2.gz WQKXZRNMAFJBKC-MJGOQNOKSA-N 0 3 319.445 3.188 20 10 DGCDHN CCO[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CC1 ZINC000859191133 621258965 /nfs/dbraw/zinc/25/89/65/621258965.db2.gz WQKXZRNMAFJBKC-MJGOQNOKSA-N 0 3 319.445 3.188 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CC(Cc2ccc(F)c(F)c2)C1 ZINC000839145601 621332494 /nfs/dbraw/zinc/33/24/94/621332494.db2.gz UPWYQSTXZJRPOH-UHFFFAOYSA-N 0 3 319.351 3.354 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000839184895 621345343 /nfs/dbraw/zinc/34/53/43/621345343.db2.gz MGXAUILXSDWXTB-QAPCUYQASA-N 0 3 315.413 3.218 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c([O-])c1 ZINC000753576265 621450490 /nfs/dbraw/zinc/45/04/90/621450490.db2.gz QJVIRUYHKBATGX-INIZCTEOSA-N 0 3 305.418 3.039 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F ZINC000862384248 621582217 /nfs/dbraw/zinc/58/22/17/621582217.db2.gz SLNUBBDOWQUKMZ-MZMPZRCHSA-N 0 3 324.415 3.156 20 10 DGCDHN CC[C@H](C)[N@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000862387450 621582928 /nfs/dbraw/zinc/58/29/28/621582928.db2.gz LYEAQBMIYHYPPN-NSHDSACASA-N 0 3 316.239 3.056 20 10 DGCDHN CC[C@H](C)[N@@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000862387450 621582930 /nfs/dbraw/zinc/58/29/30/621582930.db2.gz LYEAQBMIYHYPPN-NSHDSACASA-N 0 3 316.239 3.056 20 10 DGCDHN CN1CCCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000862483861 621594213 /nfs/dbraw/zinc/59/42/13/621594213.db2.gz ZQRIMQVMVWJUNF-LLVKDONJSA-N 0 3 300.805 3.006 20 10 DGCDHN O=c1[nH]ccc2c1CN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000756139117 621617912 /nfs/dbraw/zinc/61/79/12/621617912.db2.gz QNSGMGPBLRCEJN-UHFFFAOYSA-N 0 3 323.440 3.336 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCCO2)c2c1c(F)ccc2[O-] ZINC000756357026 621630456 /nfs/dbraw/zinc/63/04/56/621630456.db2.gz BIRAWZJSNNWHJM-NFAWXSAZSA-N 0 3 323.408 3.255 20 10 DGCDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cn1 ZINC000756380249 621633440 /nfs/dbraw/zinc/63/34/40/621633440.db2.gz FQGRODMLDPITKY-ZWNOBZJWSA-N 0 3 302.349 3.273 20 10 DGCDHN C[C@H](Cc1cnccn1)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756495861 621642010 /nfs/dbraw/zinc/64/20/10/621642010.db2.gz SQQSVZFFSGZCMC-GYSYKLTISA-N 0 3 301.365 3.090 20 10 DGCDHN Cc1nn(C)c(C)c1C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756513613 621643942 /nfs/dbraw/zinc/64/39/42/621643942.db2.gz OQNGAEBPJKOKAZ-XPTSAGLGSA-N 0 3 303.381 3.220 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756517955 621644512 /nfs/dbraw/zinc/64/45/12/621644512.db2.gz RIRWOGJETOWBCE-ZYHUDNBSSA-N 0 3 324.396 3.194 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]CCN(C)CC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000756568407 621649681 /nfs/dbraw/zinc/64/96/81/621649681.db2.gz DSNPPJMIGDZZQD-ONGXEEELSA-N 0 3 320.330 3.163 20 10 DGCDHN Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)o1 ZINC000756603430 621652206 /nfs/dbraw/zinc/65/22/06/621652206.db2.gz BPDNXAOWSRYLME-LJWDBELGSA-N 0 3 305.349 3.304 20 10 DGCDHN Cc1cccn2cc(CC[NH2+][C@H](C)c3cc(F)ccc3[O-])nc12 ZINC000756626769 621653637 /nfs/dbraw/zinc/65/36/37/621653637.db2.gz CJWYYIAZSHPYRT-CYBMUJFWSA-N 0 3 313.376 3.381 20 10 DGCDHN COc1ccccc1[C@H](CO)N[C@@H](C)c1cc(C)ccc1O ZINC000756711482 621659855 /nfs/dbraw/zinc/65/98/55/621659855.db2.gz LIRBZSWNJWOPHT-BBRMVZONSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C2 ZINC000756774905 621663945 /nfs/dbraw/zinc/66/39/45/621663945.db2.gz MHQHJKDBRNNKEE-BXUZGUMPSA-N 0 3 317.360 3.194 20 10 DGCDHN C[C@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccccc1O ZINC000840797713 621694788 /nfs/dbraw/zinc/69/47/88/621694788.db2.gz WXZSWMHCTMKMDF-JMPLFQLZSA-N 0 3 319.426 3.378 20 10 DGCDHN C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccccc1[O-] ZINC000840797713 621694792 /nfs/dbraw/zinc/69/47/92/621694792.db2.gz WXZSWMHCTMKMDF-JMPLFQLZSA-N 0 3 319.426 3.378 20 10 DGCDHN CCOc1ccc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)OC)c([O-])c1 ZINC000757801862 621740771 /nfs/dbraw/zinc/74/07/71/621740771.db2.gz YBUKBGBATNJDPH-MAUKXSAKSA-N 0 3 321.417 3.002 20 10 DGCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000758630751 621792632 /nfs/dbraw/zinc/79/26/32/621792632.db2.gz JBBMLEAWIWRWMQ-AWEZNQCLSA-N 0 3 311.303 3.234 20 10 DGCDHN CC[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866465790 622122693 /nfs/dbraw/zinc/12/26/93/622122693.db2.gz VKIYWPRTXUYCPQ-BPNCWPANSA-N 0 3 304.356 3.105 20 10 DGCDHN CC[C@H]([NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000866464275 622122981 /nfs/dbraw/zinc/12/29/81/622122981.db2.gz VEEULWQXBIKOCU-UBHSHLNASA-N 0 3 305.340 3.381 20 10 DGCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000764980128 622237277 /nfs/dbraw/zinc/23/72/77/622237277.db2.gz QFYOCTBJUIJKAU-KRWDZBQOSA-N 0 3 321.804 3.052 20 10 DGCDHN COc1ccc(CNCc2ccc(N(C)C)c(F)c2)c(C)c1 ZINC000765263633 622255377 /nfs/dbraw/zinc/25/53/77/622255377.db2.gz WGILFHOTBKVBBI-UHFFFAOYSA-N 0 3 302.393 3.499 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000766090540 622305124 /nfs/dbraw/zinc/30/51/24/622305124.db2.gz VIMNBYAPDZRDIG-SJORKVTESA-N 0 3 307.434 3.473 20 10 DGCDHN CCCCCn1cc(CNCc2cccc(OC)c2O)c(C)n1 ZINC000767425472 622398077 /nfs/dbraw/zinc/39/80/77/622398077.db2.gz DNSVXYOUDVMVIL-UHFFFAOYSA-N 0 3 317.433 3.386 20 10 DGCDHN CCOc1ccc(CN2CCN(c3ccccc3)CC2)c(O)c1 ZINC000768139451 622441547 /nfs/dbraw/zinc/44/15/47/622441547.db2.gz PJUVXCBDMCYZJY-UHFFFAOYSA-N 0 3 312.413 3.113 20 10 DGCDHN Cc1ccc(O)c(CN2CCN(CCc3cccs3)CC2)c1 ZINC000768358421 622451917 /nfs/dbraw/zinc/45/19/17/622451917.db2.gz UPLLGRFIZNETJS-UHFFFAOYSA-N 0 3 316.470 3.122 20 10 DGCDHN CC(C)CCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768463653 622458040 /nfs/dbraw/zinc/45/80/40/622458040.db2.gz KXYWYNWPRYKXTJ-SFHVURJKSA-N 0 3 319.445 3.466 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768465609 622458351 /nfs/dbraw/zinc/45/83/51/622458351.db2.gz IVPKJZBORJKJBV-QHLBDZCJSA-N 0 3 311.381 3.011 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768465609 622458353 /nfs/dbraw/zinc/45/83/53/622458353.db2.gz IVPKJZBORJKJBV-QHLBDZCJSA-N 0 3 311.381 3.011 20 10 DGCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768465609 622458354 /nfs/dbraw/zinc/45/83/54/622458354.db2.gz IVPKJZBORJKJBV-QHLBDZCJSA-N 0 3 311.381 3.011 20 10 DGCDHN COCc1ccc([C@H]2CCCN2Cc2c(O)cccc2OC)o1 ZINC000768541301 622463338 /nfs/dbraw/zinc/46/33/38/622463338.db2.gz MSGHTUORWVEXII-OAHLLOKOSA-N 0 3 317.385 3.477 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000769233949 622509718 /nfs/dbraw/zinc/50/97/18/622509718.db2.gz RZQJATCEXZQPKA-INIZCTEOSA-N 0 3 308.853 3.496 20 10 DGCDHN COc1ccc2c(c1)CCC[N@@H+](Cc1c([O-])cccc1OC)C2 ZINC000769331343 622517959 /nfs/dbraw/zinc/51/79/59/622517959.db2.gz FYFDIEUHHAHJSL-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN COc1ccc2c(c1)CCC[N@H+](Cc1c([O-])cccc1OC)C2 ZINC000769331343 622517963 /nfs/dbraw/zinc/51/79/63/622517963.db2.gz FYFDIEUHHAHJSL-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN CCOc1ccc(O)c(CN2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000769478958 622531952 /nfs/dbraw/zinc/53/19/52/622531952.db2.gz GBVGEBYMWBQSCD-UHFFFAOYSA-N 0 3 323.396 3.267 20 10 DGCDHN CCOc1ccc(CN2CCOC3(CCCCC3)C2)c(O)c1 ZINC000769492301 622533465 /nfs/dbraw/zinc/53/34/65/622533465.db2.gz IXJLEBJOSWAJNC-UHFFFAOYSA-N 0 3 305.418 3.326 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c([O-])c1 ZINC000769537640 622538998 /nfs/dbraw/zinc/53/89/98/622538998.db2.gz NQBAWICBCQPFKQ-INIZCTEOSA-N 0 3 315.417 3.034 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c([O-])c1 ZINC000769537640 622539002 /nfs/dbraw/zinc/53/90/02/622539002.db2.gz NQBAWICBCQPFKQ-INIZCTEOSA-N 0 3 315.417 3.034 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c([O-])c1 ZINC000770319683 622620857 /nfs/dbraw/zinc/62/08/57/622620857.db2.gz AMDIVHWPQDWJTC-WMLDXEAASA-N 0 3 315.417 3.071 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c([O-])c1 ZINC000770319683 622620859 /nfs/dbraw/zinc/62/08/59/622620859.db2.gz AMDIVHWPQDWJTC-WMLDXEAASA-N 0 3 315.417 3.071 20 10 DGCDHN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000770374310 622625658 /nfs/dbraw/zinc/62/56/58/622625658.db2.gz LDASYKSYUJFNBL-GUYCJALGSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000770374310 622625660 /nfs/dbraw/zinc/62/56/60/622625660.db2.gz LDASYKSYUJFNBL-GUYCJALGSA-N 0 3 320.864 3.494 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000770510156 622640201 /nfs/dbraw/zinc/64/02/01/622640201.db2.gz ZPFZQIWZHNSDJD-IBGZPJMESA-N 0 3 310.441 3.489 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000770510156 622640205 /nfs/dbraw/zinc/64/02/05/622640205.db2.gz ZPFZQIWZHNSDJD-IBGZPJMESA-N 0 3 310.441 3.489 20 10 DGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126983 622822471 /nfs/dbraw/zinc/82/24/71/622822471.db2.gz QQAGPSZETZRFDS-LNLFQRSKSA-N 0 3 311.425 3.427 20 10 DGCDHN Oc1cc2c(cc1CN1CCO[C@H](C(F)(F)F)CC1)CCC2 ZINC000872814674 622983808 /nfs/dbraw/zinc/98/38/08/622983808.db2.gz SYPXLAARROOHTM-HNNXBMFYSA-N 0 3 315.335 3.034 20 10 DGCDHN Cc1cc(O)c(CN2CCO[C@@H](C(F)(F)F)CC2)cc1C ZINC000872813603 622984055 /nfs/dbraw/zinc/98/40/55/622984055.db2.gz LSJDXCBGOQWILE-CQSZACIVSA-N 0 3 303.324 3.162 20 10 DGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCC(C)CC1 ZINC000774483380 623151072 /nfs/dbraw/zinc/15/10/72/623151072.db2.gz KEFFLRHSIQTKHT-HZPDHXFCSA-N 0 3 317.477 3.050 20 10 DGCDHN CCC(CC)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482083 623151533 /nfs/dbraw/zinc/15/15/33/623151533.db2.gz FOPLVHYOOLXXOX-KBPBESRZSA-N 0 3 305.466 3.097 20 10 DGCDHN CCO[C@H](C[NH2+]Cc1c([O-])cccc1OC)c1ccccc1 ZINC000775029214 623218200 /nfs/dbraw/zinc/21/82/00/623218200.db2.gz XXGLQVBRJLKIBK-GOSISDBHSA-N 0 3 301.386 3.268 20 10 DGCDHN Cc1cc(Br)cc(CN(C)Cc2ccc[nH]2)c1O ZINC000775733847 623320433 /nfs/dbraw/zinc/32/04/33/623320433.db2.gz JJFCAIVPHCLWMU-UHFFFAOYSA-N 0 3 309.207 3.423 20 10 DGCDHN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cc2c(cc1O)OCO2 ZINC000776012678 623364814 /nfs/dbraw/zinc/36/48/14/623364814.db2.gz IPWVUHSOKOGNNH-MWLCHTKSSA-N 0 3 317.307 3.284 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C)COc2ccccc2)c([O-])c1 ZINC000776175411 623390309 /nfs/dbraw/zinc/39/03/09/623390309.db2.gz YYASGGYEHVVVFP-CQSZACIVSA-N 0 3 301.386 3.348 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@H](C4CC4)C3)c2c1 ZINC000776773658 623461671 /nfs/dbraw/zinc/46/16/71/623461671.db2.gz USESXCCVQSYXDP-LJQANCHMSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@H](C4CC4)C3)c2c1 ZINC000776773658 623461676 /nfs/dbraw/zinc/46/16/76/623461676.db2.gz USESXCCVQSYXDP-LJQANCHMSA-N 0 3 313.397 3.165 20 10 DGCDHN COc1ccc2ccc(O)c(CN3CCO[C@@H](C4CC4)C3)c2c1 ZINC000776773658 623461681 /nfs/dbraw/zinc/46/16/81/623461681.db2.gz USESXCCVQSYXDP-LJQANCHMSA-N 0 3 313.397 3.165 20 10 DGCDHN CCSc1cc(CNCc2c(O)cccc2OC)ccn1 ZINC000778210111 623626099 /nfs/dbraw/zinc/62/60/99/623626099.db2.gz ZBOJCUPRGNAAOF-UHFFFAOYSA-N 0 3 304.415 3.198 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876658287 623672037 /nfs/dbraw/zinc/67/20/37/623672037.db2.gz RRQAOKASFWLAEY-HZPDHXFCSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876658287 623672045 /nfs/dbraw/zinc/67/20/45/623672045.db2.gz RRQAOKASFWLAEY-HZPDHXFCSA-N 0 3 318.461 3.217 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000876790473 623707196 /nfs/dbraw/zinc/70/71/96/623707196.db2.gz JAUNECZNXVMIKX-QGZVFWFLSA-N 0 3 319.445 3.251 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000876807470 623710909 /nfs/dbraw/zinc/71/09/09/623710909.db2.gz FASODUOLSUIYHP-WMLDXEAASA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000876807470 623710916 /nfs/dbraw/zinc/71/09/16/623710916.db2.gz FASODUOLSUIYHP-WMLDXEAASA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000876809184 623712029 /nfs/dbraw/zinc/71/20/29/623712029.db2.gz XEOYFNXIRGUXIR-NVXWUHKLSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000876809184 623712034 /nfs/dbraw/zinc/71/20/34/623712034.db2.gz XEOYFNXIRGUXIR-NVXWUHKLSA-N 0 3 301.386 3.382 20 10 DGCDHN O=C(CC1CC[NH+](Cc2ccccc2[O-])CC1)NC1CCCC1 ZINC000778998927 623719081 /nfs/dbraw/zinc/71/90/81/623719081.db2.gz GCMVVNVCEONQMH-UHFFFAOYSA-N 0 3 316.445 3.053 20 10 DGCDHN C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H](C(N)=O)C1 ZINC000779204455 623741864 /nfs/dbraw/zinc/74/18/64/623741864.db2.gz SNUXNQGTOZJVAE-KBXCAEBGSA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H](C(N)=O)C1 ZINC000779204455 623741868 /nfs/dbraw/zinc/74/18/68/623741868.db2.gz SNUXNQGTOZJVAE-KBXCAEBGSA-N 0 3 324.424 3.145 20 10 DGCDHN C[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@@H](C(N)=O)C1 ZINC000779204455 623741872 /nfs/dbraw/zinc/74/18/72/623741872.db2.gz SNUXNQGTOZJVAE-KBXCAEBGSA-N 0 3 324.424 3.145 20 10 DGCDHN Cc1ccc(C[NH2+]CCc2nc3c(s2)CCCC3)c([O-])c1 ZINC000877032290 623770519 /nfs/dbraw/zinc/77/05/19/623770519.db2.gz JGFMHNQRISFFIU-UHFFFAOYSA-N 0 3 302.443 3.368 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000877040051 623773789 /nfs/dbraw/zinc/77/37/89/623773789.db2.gz NIBDJNPZMOGTCS-LJQANCHMSA-N 0 3 315.413 3.311 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c([O-])c1 ZINC000877057973 623778794 /nfs/dbraw/zinc/77/87/94/623778794.db2.gz BSAGUXCPVQYNAD-OAHLLOKOSA-N 0 3 309.768 3.316 20 10 DGCDHN Cc1noc(C2CCC([NH2+]Cc3c(C)cccc3[O-])CC2)n1 ZINC000877076315 623785241 /nfs/dbraw/zinc/78/52/41/623785241.db2.gz KZFVDXSHMOAALM-UHFFFAOYSA-N 0 3 301.390 3.208 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000877128176 623798018 /nfs/dbraw/zinc/79/80/18/623798018.db2.gz DXGFTOVBCLNHPM-INIZCTEOSA-N 0 3 309.768 3.316 20 10 DGCDHN CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877432303 623879203 /nfs/dbraw/zinc/87/92/03/623879203.db2.gz UEZXUJXOSXSRTJ-AWEZNQCLSA-N 0 3 320.433 3.047 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](OC)C1CCOCC1 ZINC000877503162 623915362 /nfs/dbraw/zinc/91/53/62/623915362.db2.gz DBGBBLBVSPJUBF-LJQANCHMSA-N 0 3 321.461 3.436 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](OC)C1CCOCC1 ZINC000877503162 623915364 /nfs/dbraw/zinc/91/53/64/623915364.db2.gz DBGBBLBVSPJUBF-LJQANCHMSA-N 0 3 321.461 3.436 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000877533989 623928954 /nfs/dbraw/zinc/92/89/54/623928954.db2.gz YVHRSYUZPMTMBT-CQSZACIVSA-N 0 3 305.805 3.220 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2N(C)C)c1 ZINC000877534060 623929168 /nfs/dbraw/zinc/92/91/68/623929168.db2.gz WMWCYSRRAPNGPY-GFCCVEGCSA-N 0 3 318.392 3.457 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000877557105 623940013 /nfs/dbraw/zinc/94/00/13/623940013.db2.gz NJCJSVXKHPKHPY-CQSZACIVSA-N 0 3 322.449 3.484 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000877602945 623957952 /nfs/dbraw/zinc/95/79/52/623957952.db2.gz AJSYMOAWVCFUGJ-KBPBESRZSA-N 0 3 322.449 3.482 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000877641480 623974598 /nfs/dbraw/zinc/97/45/98/623974598.db2.gz VSBBVEGHGHZQAQ-CYBMUJFWSA-N 0 3 308.422 3.046 20 10 DGCDHN C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000790749128 625692108 /nfs/dbraw/zinc/69/21/08/625692108.db2.gz CUOZHEIQSXJFHJ-LBPRGKRZSA-N 0 3 312.404 3.443 20 10 DGCDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc2c(cc1O)OCO2 ZINC000780791964 623985858 /nfs/dbraw/zinc/98/58/58/623985858.db2.gz DMDWHDPCIYZJJD-GXSJLCMTSA-N 0 3 317.307 3.284 20 10 DGCDHN CC1([NH+]2CCCC2)CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000877674532 623988039 /nfs/dbraw/zinc/98/80/39/623988039.db2.gz RJCCEHBHUXMLQN-UHFFFAOYSA-N 0 3 308.853 3.496 20 10 DGCDHN CC(C)(C)OC(=O)NCC(C)(C)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877703253 623998849 /nfs/dbraw/zinc/99/88/49/623998849.db2.gz YHGUTWVUQHZDEJ-UHFFFAOYSA-N 0 3 320.433 3.259 20 10 DGCDHN CC(C)(C)OC(=O)NCC(C)(C)C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877703253 623998850 /nfs/dbraw/zinc/99/88/50/623998850.db2.gz YHGUTWVUQHZDEJ-UHFFFAOYSA-N 0 3 320.433 3.259 20 10 DGCDHN CC(C)(C)OC(=O)NCC(C)(C)CN1Cc2cccc(O)c2C1 ZINC000877703253 623998851 /nfs/dbraw/zinc/99/88/51/623998851.db2.gz YHGUTWVUQHZDEJ-UHFFFAOYSA-N 0 3 320.433 3.259 20 10 DGCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C[C@@H]1C ZINC000877755513 624021700 /nfs/dbraw/zinc/02/17/00/624021700.db2.gz CZOWFVNGMCHQJQ-GBJTYRQASA-N 0 3 305.418 3.411 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](CCOC)Cc2ccco2)c([O-])c1 ZINC000784626294 624561781 /nfs/dbraw/zinc/56/17/81/624561781.db2.gz YNYSRIBOJVSOOP-HNNXBMFYSA-N 0 3 319.401 3.121 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879647890 624621264 /nfs/dbraw/zinc/62/12/64/624621264.db2.gz PITCEMCBUKOSQC-FQLMCAECSA-N 0 3 304.434 3.126 20 10 DGCDHN CCN(CCC[NH2+][C@H](C)c1ccccc1[O-])CC(F)(F)F ZINC000879649407 624622657 /nfs/dbraw/zinc/62/26/57/624622657.db2.gz QWZPZTHYIUPHJO-GFCCVEGCSA-N 0 3 304.356 3.317 20 10 DGCDHN Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879651888 624624764 /nfs/dbraw/zinc/62/47/64/624624764.db2.gz OHZWCBWDCADBMU-LSDHHAIUSA-N 0 3 312.413 3.056 20 10 DGCDHN CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652833 624626859 /nfs/dbraw/zinc/62/68/59/624626859.db2.gz ITBYCNKAXDQJPK-SOUVJXGZSA-N 0 3 304.434 3.222 20 10 DGCDHN CCOc1ccc(C[NH2+]CCc2ccc(F)c(F)c2)c([O-])c1 ZINC000786819304 624956212 /nfs/dbraw/zinc/95/62/12/624956212.db2.gz QSDVCTQPTKTCIZ-UHFFFAOYSA-N 0 3 307.340 3.401 20 10 DGCDHN CC(C)(CO)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000787769790 625048425 /nfs/dbraw/zinc/04/84/25/625048425.db2.gz IRMORZDEYCLYJR-IBGZPJMESA-N 0 3 311.425 3.471 20 10 DGCDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccnn1C ZINC000788257569 625105261 /nfs/dbraw/zinc/10/52/61/625105261.db2.gz AHHXEVZGESLKGL-SWLSCSKDSA-N 0 3 305.397 3.355 20 10 DGCDHN CC(C)OCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000788272861 625111126 /nfs/dbraw/zinc/11/11/26/625111126.db2.gz YZVLJIFDRGJIBR-GOSISDBHSA-N 0 3 321.461 3.313 20 10 DGCDHN CC(C)OCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000788272861 625111131 /nfs/dbraw/zinc/11/11/31/625111131.db2.gz YZVLJIFDRGJIBR-GOSISDBHSA-N 0 3 321.461 3.313 20 10 DGCDHN COc1cc([C@@H](C)NCc2ccc3c(c2)CCCN3C)ccn1 ZINC000788585882 625221581 /nfs/dbraw/zinc/22/15/81/625221581.db2.gz XGRVHMDHFSSYOC-CQSZACIVSA-N 0 3 311.429 3.323 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cc(F)ccc1[O-] ZINC000797130979 626116779 /nfs/dbraw/zinc/11/67/79/626116779.db2.gz CWRFVIHNFDSKAG-AMXDTQDGSA-N 0 3 321.417 3.261 20 10 DGCDHN Oc1ccccc1CN(CCc1ccccn1)Cc1cccnc1 ZINC000797604749 626159219 /nfs/dbraw/zinc/15/92/19/626159219.db2.gz BWYOAEHFWPIDCF-UHFFFAOYSA-N 0 3 319.408 3.427 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000797604749 626159222 /nfs/dbraw/zinc/15/92/22/626159222.db2.gz BWYOAEHFWPIDCF-UHFFFAOYSA-N 0 3 319.408 3.427 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000797604749 626159226 /nfs/dbraw/zinc/15/92/26/626159226.db2.gz BWYOAEHFWPIDCF-UHFFFAOYSA-N 0 3 319.408 3.427 20 10 DGCDHN COc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1C ZINC000799343905 626293152 /nfs/dbraw/zinc/29/31/52/626293152.db2.gz OYTZUJSSHJGLEV-HXUWFJFHSA-N 0 3 311.425 3.317 20 10 DGCDHN COCCOCCCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808687549 626370473 /nfs/dbraw/zinc/37/04/73/626370473.db2.gz NCVAEIMAJPCDEZ-CYBMUJFWSA-N 0 3 315.841 3.448 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O)c1[O-] ZINC000808706797 626372929 /nfs/dbraw/zinc/37/29/29/626372929.db2.gz VCDXELMWIKGAAT-RMDKCXRXSA-N 0 3 303.855 3.162 20 10 DGCDHN CCCC[N@H+](CCC(=O)N1CCCCC1)Cc1ccccc1[O-] ZINC000801596506 626411404 /nfs/dbraw/zinc/41/14/04/626411404.db2.gz CFFVCBVSGZHJFD-UHFFFAOYSA-N 0 3 318.461 3.397 20 10 DGCDHN CCCC[N@@H+](CCC(=O)N1CCCCC1)Cc1ccccc1[O-] ZINC000801596506 626411406 /nfs/dbraw/zinc/41/14/06/626411406.db2.gz CFFVCBVSGZHJFD-UHFFFAOYSA-N 0 3 318.461 3.397 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC1CCCC1 ZINC000801596564 626411419 /nfs/dbraw/zinc/41/14/19/626411419.db2.gz FTBKXTMPFAFTGK-HNNXBMFYSA-N 0 3 318.461 3.442 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC1CCCC1 ZINC000801596564 626411420 /nfs/dbraw/zinc/41/14/20/626411420.db2.gz FTBKXTMPFAFTGK-HNNXBMFYSA-N 0 3 318.461 3.442 20 10 DGCDHN CCCCN(CC(=O)N[C@@H](C)C(C)C)Cc1ccccc1O ZINC000801597494 626411673 /nfs/dbraw/zinc/41/16/73/626411673.db2.gz IIIIPLGXJMDNLA-HNNXBMFYSA-N 0 3 306.450 3.155 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(C)(C)C ZINC000801599237 626411866 /nfs/dbraw/zinc/41/18/66/626411866.db2.gz GPQQOWIUVPNLKG-AWEZNQCLSA-N 0 3 306.450 3.298 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(C)(C)C ZINC000801599237 626411867 /nfs/dbraw/zinc/41/18/67/626411867.db2.gz GPQQOWIUVPNLKG-AWEZNQCLSA-N 0 3 306.450 3.298 20 10 DGCDHN COc1cccc(CN2CC[C@](F)(c3ccccc3)C2)c1O ZINC000802656921 626565386 /nfs/dbraw/zinc/56/53/86/626565386.db2.gz SCEWVUCFQQIFNH-GOSISDBHSA-N 0 3 301.361 3.472 20 10 DGCDHN C[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)OCCc2ccccc21 ZINC000883341691 626653834 /nfs/dbraw/zinc/65/38/34/626653834.db2.gz XRMBXODZHOHENJ-PXNSSMCTSA-N 0 3 309.409 3.457 20 10 DGCDHN Clc1ccc2c(n1)CC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000806138082 626700972 /nfs/dbraw/zinc/70/09/72/626700972.db2.gz VPEMJEZCMVYMHX-AWEZNQCLSA-N 0 3 300.789 3.447 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000806180533 626704769 /nfs/dbraw/zinc/70/47/69/626704769.db2.gz OXVOEXWHIPLADR-OCCSQVGLSA-N 0 3 305.805 3.472 20 10 DGCDHN COc1cc(C)cc(CN2CCc3cccc(OC)c3C2)c1O ZINC000840135099 626816981 /nfs/dbraw/zinc/81/69/81/626816981.db2.gz YINWNKPIHOFAFA-UHFFFAOYSA-N 0 3 313.397 3.276 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC2(C)C)c1[O-] ZINC000808421330 626822716 /nfs/dbraw/zinc/82/27/16/626822716.db2.gz CBHLPFOEQGJTQE-GFCCVEGCSA-N 0 3 314.223 3.442 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c([O-])c1 ZINC000808452926 626826718 /nfs/dbraw/zinc/82/67/18/626826718.db2.gz VBVFYYZHWMNMQW-HNNXBMFYSA-N 0 3 317.360 3.023 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c1[O-] ZINC000808673015 626848320 /nfs/dbraw/zinc/84/83/20/626848320.db2.gz VTSBSQXPGFMNMB-LLVKDONJSA-N 0 3 318.804 3.304 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1[O-] ZINC000808717178 626853071 /nfs/dbraw/zinc/85/30/71/626853071.db2.gz ATYFXBJVALOUQN-TZMCWYRMSA-N 0 3 320.820 3.176 20 10 DGCDHN CCOc1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)c([O-])c1 ZINC000809746869 626945938 /nfs/dbraw/zinc/94/59/38/626945938.db2.gz CCLQUUMODNDJCR-QGZVFWFLSA-N 0 3 301.386 3.004 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000809768625 626949846 /nfs/dbraw/zinc/94/98/46/626949846.db2.gz QTPVDXRMUXWRNT-MRXNPFEDSA-N 0 3 315.417 3.468 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000809768625 626949847 /nfs/dbraw/zinc/94/98/47/626949847.db2.gz QTPVDXRMUXWRNT-MRXNPFEDSA-N 0 3 315.417 3.468 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000809779513 626951821 /nfs/dbraw/zinc/95/18/21/626951821.db2.gz PQOUNQZORCDWTI-ZDUSSCGKSA-N 0 3 309.768 3.050 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000809793710 626954796 /nfs/dbraw/zinc/95/47/96/626954796.db2.gz LOYOBRHNJZGURU-NRFANRHFSA-N 0 3 323.845 3.381 20 10 DGCDHN Cc1nnc(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)s1 ZINC000810243366 626991957 /nfs/dbraw/zinc/99/19/57/626991957.db2.gz NQQPUMQTCQXDJR-GZMMTYOYSA-N 0 3 307.394 3.072 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2F)c([O-])c1 ZINC000886674669 627187099 /nfs/dbraw/zinc/18/70/99/627187099.db2.gz PCOWLWVUEZAESV-UKRRQHHQSA-N 0 3 303.377 3.094 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1)c1ccc(C)cc1[O-] ZINC000886766889 627202030 /nfs/dbraw/zinc/20/20/30/627202030.db2.gz UEIAXASVZSZDGY-MRHSLFKSSA-N 0 3 319.445 3.468 20 10 DGCDHN CCN(CCC[NH2+]Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000222037516 627232930 /nfs/dbraw/zinc/23/29/30/627232930.db2.gz UCUJUGDGYWUOET-UHFFFAOYSA-N 0 3 308.422 3.129 20 10 DGCDHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000811477342 627279029 /nfs/dbraw/zinc/27/90/29/627279029.db2.gz NNIJSKZHKUHADN-HNNXBMFYSA-N 0 3 322.449 3.421 20 10 DGCDHN COc1cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811777274 627320849 /nfs/dbraw/zinc/32/08/49/627320849.db2.gz IGVCSWNYWUGYPI-WBVHZDCISA-N 0 3 305.418 3.099 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1cn(C)nc1C(F)F ZINC000812756677 627417627 /nfs/dbraw/zinc/41/76/27/627417627.db2.gz SBWIKYJJALXYST-UHFFFAOYSA-N 0 3 308.376 3.022 20 10 DGCDHN CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560717 627684653 /nfs/dbraw/zinc/68/46/53/627684653.db2.gz NYFNUEYFTAZFIK-RYUDHWBXSA-N 0 3 316.367 3.403 20 10 DGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCN1CCC1 ZINC000815598261 627689701 /nfs/dbraw/zinc/68/97/01/627689701.db2.gz QGDJVXBYZSFRKU-IBGZPJMESA-N 0 3 310.441 3.361 20 10 DGCDHN CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816554814 627806754 /nfs/dbraw/zinc/80/67/54/627806754.db2.gz JRVSQAMWKUHYON-VXGBXAGGSA-N 0 3 300.805 3.147 20 10 DGCDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2[O-])C1 ZINC000817415178 627897351 /nfs/dbraw/zinc/89/73/51/627897351.db2.gz TZLHNAHMRMEBQV-UKRRQHHQSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000817415178 627897355 /nfs/dbraw/zinc/89/73/55/627897355.db2.gz TZLHNAHMRMEBQV-UKRRQHHQSA-N 0 3 305.418 3.192 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1[O-] ZINC000817880394 627952796 /nfs/dbraw/zinc/95/27/96/627952796.db2.gz RNAHNRIXWXZKJN-WDMOLILDSA-N 0 3 324.852 3.053 20 10 DGCDHN CCN(CC)c1ccc(CN[C@H](C)c2cnccc2N)cc1F ZINC000817903340 627957026 /nfs/dbraw/zinc/95/70/26/627957026.db2.gz NPEJWSRMRJFGOL-CYBMUJFWSA-N 0 3 316.424 3.330 20 10 DGCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2)n1 ZINC000927050912 628002919 /nfs/dbraw/zinc/00/29/19/628002919.db2.gz VSGSEMHXCOOTQY-JHJVBQTASA-N 0 3 301.390 3.325 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(Br)cc1[O-] ZINC000818616373 628043642 /nfs/dbraw/zinc/04/36/42/628043642.db2.gz VOMAPTCWEKMQDU-OASPWFOLSA-N 0 3 313.239 3.075 20 10 DGCDHN Cc1cnccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000823667088 628585226 /nfs/dbraw/zinc/58/52/26/628585226.db2.gz YTTMIPDGUURIKH-UHFFFAOYSA-N 0 3 313.470 3.233 20 10 DGCDHN CC[C@H](NCc1ccc(N(CC)CC)c(F)c1)[C@@H](O)C(F)F ZINC000824635026 628679149 /nfs/dbraw/zinc/67/91/49/628679149.db2.gz DWYNPTPOGVZDRT-DZGCQCFKSA-N 0 3 318.383 3.166 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824715521 628686481 /nfs/dbraw/zinc/68/64/81/628686481.db2.gz LDGNIECBXXPLRB-OAGGEKHMSA-N 0 3 309.837 3.479 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824715521 628686484 /nfs/dbraw/zinc/68/64/84/628686484.db2.gz LDGNIECBXXPLRB-OAGGEKHMSA-N 0 3 309.837 3.479 20 10 DGCDHN CCOc1ccc(C[NH2+]CCCc2ncccc2C)c([O-])c1 ZINC000824783904 628693352 /nfs/dbraw/zinc/69/33/52/628693352.db2.gz WUVQOLJHWVNORP-UHFFFAOYSA-N 0 3 300.402 3.217 20 10 DGCDHN COc1cc(CN2CC3(C2)CCCOC3)c(O)c(C(C)(C)C)c1 ZINC000826113575 628829589 /nfs/dbraw/zinc/82/95/89/628829589.db2.gz NGEPTOKLVQUXIB-UHFFFAOYSA-N 0 3 319.445 3.311 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1[O-] ZINC000826791650 628887917 /nfs/dbraw/zinc/88/79/17/628887917.db2.gz YWFUCXVGKMOPJN-CYBMUJFWSA-N 0 3 312.841 3.017 20 10 DGCDHN CCO[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000827006850 628912014 /nfs/dbraw/zinc/91/20/14/628912014.db2.gz VRLFRBUVTIJEQX-JOCQHMNTSA-N 0 3 314.223 3.120 20 10 DGCDHN COC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(OC)c1 ZINC000827011018 628912722 /nfs/dbraw/zinc/91/27/22/628912722.db2.gz DRRQPKFEMLDGMB-INIZCTEOSA-N 0 3 305.349 3.017 20 10 DGCDHN COC[C@H](NCc1cc(F)ccc1O)c1cccc(OC)c1 ZINC000827011018 628912723 /nfs/dbraw/zinc/91/27/23/628912723.db2.gz DRRQPKFEMLDGMB-INIZCTEOSA-N 0 3 305.349 3.017 20 10 DGCDHN CC(C)[C@@H](O)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000827525902 628967907 /nfs/dbraw/zinc/96/79/07/628967907.db2.gz CQMLVQOSPJVYHX-ZWKOTPCHSA-N 0 3 303.377 3.379 20 10 DGCDHN CCOc1ccc(O)c(CN2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000827539270 628969562 /nfs/dbraw/zinc/96/95/62/628969562.db2.gz ZZOGMANXJBRXSA-UHFFFAOYSA-N 0 3 317.429 3.182 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](OC)C2CCCC2)c1[O-] ZINC000827608447 628976266 /nfs/dbraw/zinc/97/62/66/628976266.db2.gz NEVJLMOGJOBKRC-OAHLLOKOSA-N 0 3 313.825 3.349 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCC[C@H]1CCOC1)C[C@@H]1CCCO1 ZINC000828062139 629019709 /nfs/dbraw/zinc/01/97/09/629019709.db2.gz BYIDBXQDPYGAFE-WMZOPIPTSA-N 0 3 319.445 3.190 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCC[C@H]1CCOC1)C[C@@H]1CCCO1 ZINC000828062139 629019711 /nfs/dbraw/zinc/01/97/11/629019711.db2.gz BYIDBXQDPYGAFE-WMZOPIPTSA-N 0 3 319.445 3.190 20 10 DGCDHN CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)Cc1ccccc1 ZINC000834487368 629716865 /nfs/dbraw/zinc/71/68/65/629716865.db2.gz BZKVDKZCWQZLLX-QZTJIDSGSA-N 0 3 310.441 3.142 20 10 DGCDHN CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)Cc1ccccc1 ZINC000834487370 629717228 /nfs/dbraw/zinc/71/72/28/629717228.db2.gz BZKVDKZCWQZLLX-ZWKOTPCHSA-N 0 3 310.441 3.142 20 10 DGCDHN O=C(CC1CCCCC1)NCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834645782 629746511 /nfs/dbraw/zinc/74/65/11/629746511.db2.gz MDKUFSRGXVMWKP-INIZCTEOSA-N 0 3 316.445 3.056 20 10 DGCDHN CC1CCC2(CC1)OC[C@@H](C[NH2+][C@H]1CCc3cccc([O-])c31)O2 ZINC000834736934 629770587 /nfs/dbraw/zinc/77/05/87/629770587.db2.gz BSJXPDJKGZDKBZ-VTLRXDCVSA-N 0 3 317.429 3.291 20 10 DGCDHN C[S@@](=O)Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834799242 629782217 /nfs/dbraw/zinc/78/22/17/629782217.db2.gz XQNAJHBXLRGSHV-KSFYIVLOSA-N 0 3 315.438 3.048 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1[O-] ZINC000834896765 629801056 /nfs/dbraw/zinc/80/10/56/629801056.db2.gz NOCJJTXWPZIOJB-RYUDHWBXSA-N 0 3 307.825 3.369 20 10 DGCDHN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(F)ccc1[O-] ZINC000834905959 629804974 /nfs/dbraw/zinc/80/49/74/629804974.db2.gz XBMOMMGZFANRPD-WPKBUWHJSA-N 0 3 316.376 3.497 20 10 DGCDHN CN(C)c1ccc(/C=C\CN(C)CCc2nccs2)cc1 ZINC000835028157 629829220 /nfs/dbraw/zinc/82/92/20/629829220.db2.gz JJXVXFFQSXHXSE-PLNGDYQASA-N 0 3 301.459 3.397 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000835038619 629831247 /nfs/dbraw/zinc/83/12/47/629831247.db2.gz BZTQTIZFAVOTBC-HMECNJMJSA-N 0 3 314.404 3.228 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000835038906 629831321 /nfs/dbraw/zinc/83/13/21/629831321.db2.gz ZKEATWMGWUGNCX-DXPXIUTNSA-N 0 3 308.425 3.014 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1[O-] ZINC000835085969 629847631 /nfs/dbraw/zinc/84/76/31/629847631.db2.gz ADWVOYQVHJAYNT-GWCFXTLKSA-N 0 3 314.223 3.120 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1[O-] ZINC000835085972 629847657 /nfs/dbraw/zinc/84/76/57/629847657.db2.gz ADWVOYQVHJAYNT-ZWNOBZJWSA-N 0 3 314.223 3.120 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CS[C@H](C)C2)c1[O-] ZINC000840959631 630386019 /nfs/dbraw/zinc/38/60/19/630386019.db2.gz XPWRUPDZAACGPB-BXKDBHETSA-N 0 3 316.264 3.447 20 10 DGCDHN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841067314 630403687 /nfs/dbraw/zinc/40/36/87/630403687.db2.gz ASPKLALQUFOQGF-MRXNPFEDSA-N 0 3 302.805 3.022 20 10 DGCDHN C[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)c1ccc(N(C)C)cc1 ZINC000841333636 630429261 /nfs/dbraw/zinc/42/92/61/630429261.db2.gz ZWSZHWWODDQJPO-CYBMUJFWSA-N 0 3 324.428 3.239 20 10 DGCDHN CO[C@@H](CC(C)C)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000842151528 630498597 /nfs/dbraw/zinc/49/85/97/630498597.db2.gz CAIRSNLPGXEIHU-MSOLQXFVSA-N 0 3 321.461 3.434 20 10 DGCDHN CO[C@@H](CC(C)C)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000842151528 630498601 /nfs/dbraw/zinc/49/86/01/630498601.db2.gz CAIRSNLPGXEIHU-MSOLQXFVSA-N 0 3 321.461 3.434 20 10 DGCDHN COc1cc(C)cc(CN2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC000842644917 630557741 /nfs/dbraw/zinc/55/77/41/630557741.db2.gz IXTGDNGTDAZLSE-CQSZACIVSA-N 0 3 305.418 3.243 20 10 DGCDHN CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1[O-] ZINC000842884386 630588943 /nfs/dbraw/zinc/58/89/43/630588943.db2.gz JAKKVTPLHHYNAP-HUUCEWRRSA-N 0 3 304.434 3.141 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842886663 630589626 /nfs/dbraw/zinc/58/96/26/630589626.db2.gz TVZINZWPAYUUST-YOEHRIQHSA-N 0 3 317.477 3.193 20 10 DGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842886658 630589672 /nfs/dbraw/zinc/58/96/72/630589672.db2.gz TVZINZWPAYUUST-WMLDXEAASA-N 0 3 317.477 3.193 20 10 DGCDHN CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000842934734 630595473 /nfs/dbraw/zinc/59/54/73/630595473.db2.gz YSIDMZKPAQLEJG-ILXRZTDVSA-N 0 3 317.429 3.480 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c([O-])c1 ZINC000843432119 630658074 /nfs/dbraw/zinc/65/80/74/630658074.db2.gz QXZKBPOMTCIPJW-CQSZACIVSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c([O-])c1 ZINC000843432119 630658076 /nfs/dbraw/zinc/65/80/76/630658076.db2.gz QXZKBPOMTCIPJW-CQSZACIVSA-N 0 3 305.418 3.182 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CO1 ZINC000843432173 630658165 /nfs/dbraw/zinc/65/81/65/630658165.db2.gz IRVGHLPEKCGYSC-PBHICJAKSA-N 0 3 313.397 3.238 20 10 DGCDHN CCOc1ccc(O)c(CN2C[C@H](C)OC3(CCCC3)C2)c1 ZINC000843435896 630659043 /nfs/dbraw/zinc/65/90/43/630659043.db2.gz ZQQHQJUDNOQJFK-AWEZNQCLSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cn(C(C)C)nc2C)c1 ZINC000845972672 631204325 /nfs/dbraw/zinc/20/43/25/631204325.db2.gz SKHWQVYDCBMCBY-CYBMUJFWSA-N 0 3 303.406 3.337 20 10 DGCDHN CCOc1ccc(CN(Cc2cnn(CC)c2)C(C)C)c(O)c1 ZINC000846054799 631208276 /nfs/dbraw/zinc/20/82/76/631208276.db2.gz GHOQUGYYYCNDPA-UHFFFAOYSA-N 0 3 317.433 3.418 20 10 DGCDHN CCOc1ccc(C[N@H+](Cc2cnn(CC)c2)C(C)C)c([O-])c1 ZINC000846054799 631208277 /nfs/dbraw/zinc/20/82/77/631208277.db2.gz GHOQUGYYYCNDPA-UHFFFAOYSA-N 0 3 317.433 3.418 20 10 DGCDHN CCOc1ccc(C[N@@H+](Cc2cnn(CC)c2)C(C)C)c([O-])c1 ZINC000846054799 631208279 /nfs/dbraw/zinc/20/82/79/631208279.db2.gz GHOQUGYYYCNDPA-UHFFFAOYSA-N 0 3 317.433 3.418 20 10 DGCDHN COC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846150590 631212369 /nfs/dbraw/zinc/21/23/69/631212369.db2.gz JFJZVCOUUBLYTK-XJKSGUPXSA-N 0 3 301.386 3.439 20 10 DGCDHN COc1cccc([C@@H](C)N[C@@H](C)c2ccncc2OC)c1O ZINC000846164103 631212937 /nfs/dbraw/zinc/21/29/37/631212937.db2.gz MQAOFTAQKAMFFG-NWDGAFQWSA-N 0 3 302.374 3.216 20 10 DGCDHN COc1cccc([C@@H](C)NCc2cc(F)ccc2OC)c1O ZINC000846165296 631213004 /nfs/dbraw/zinc/21/30/04/631213004.db2.gz VBWYWFWMRWTRKH-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cccc(OC)c2O)n[nH]1 ZINC000846167008 631213201 /nfs/dbraw/zinc/21/32/01/631213201.db2.gz QRPGHNGCGDBEKQ-QJPTWQEYSA-N 0 3 318.421 3.444 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@](C)(O)c1ccccc1 ZINC000846186538 631214075 /nfs/dbraw/zinc/21/40/75/631214075.db2.gz GXHFRWCPCPPBRF-VEVIJQCQSA-N 0 3 303.377 3.478 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c([O-])c1 ZINC000846216013 631215248 /nfs/dbraw/zinc/21/52/48/631215248.db2.gz OVLCCZFHZOVROP-BBRMVZONSA-N 0 3 312.413 3.128 20 10 DGCDHN C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000846654893 631280389 /nfs/dbraw/zinc/28/03/89/631280389.db2.gz JSHKFMAVTGEELY-UHFFFAOYSA-N 0 3 318.442 3.094 20 10 DGCDHN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000846654893 631280392 /nfs/dbraw/zinc/28/03/92/631280392.db2.gz JSHKFMAVTGEELY-UHFFFAOYSA-N 0 3 318.442 3.094 20 10 DGCDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000846654893 631280393 /nfs/dbraw/zinc/28/03/93/631280393.db2.gz JSHKFMAVTGEELY-UHFFFAOYSA-N 0 3 318.442 3.094 20 10 DGCDHN CCc1cccc(CNCc2ccc(OC)cc2OC)c1O ZINC000848895508 631776741 /nfs/dbraw/zinc/77/67/41/631776741.db2.gz VPYKPFZKXQHSBH-UHFFFAOYSA-N 0 3 301.386 3.262 20 10 DGCDHN CCc1cccc(CN[C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000848920065 631787449 /nfs/dbraw/zinc/78/74/49/631787449.db2.gz WSOFSLPQOUEKCD-SJCJKPOMSA-N 0 3 303.377 3.305 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1[O-] ZINC000848926624 631790654 /nfs/dbraw/zinc/79/06/54/631790654.db2.gz UIPUQTHGPWFSFA-JOCQHMNTSA-N 0 3 313.825 3.490 20 10 DGCDHN COc1cccc(O)c1CN1C[C@@H](C)OC2(CCCCC2)C1 ZINC000848929766 631792138 /nfs/dbraw/zinc/79/21/38/631792138.db2.gz ZTLWMEBIJNFFSP-CQSZACIVSA-N 0 3 305.418 3.324 20 10 DGCDHN COc1ccc(CNCc2cccc(OC3CC3)c2F)c(O)c1 ZINC000850365008 632127091 /nfs/dbraw/zinc/12/70/91/632127091.db2.gz CIDUHCGDWQHGNL-UHFFFAOYSA-N 0 3 317.360 3.371 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)c([O-])c1 ZINC000850391586 632136976 /nfs/dbraw/zinc/13/69/76/632136976.db2.gz VLLPFABXOKSPKS-UHFFFAOYSA-N 0 3 315.417 3.082 20 10 DGCDHN CC(C)[C@H](O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000850395842 632138942 /nfs/dbraw/zinc/13/89/42/632138942.db2.gz ZVTYMIKZVGKMPR-PMACEKPBSA-N 0 3 311.425 3.469 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)c([O-])c1 ZINC000850419405 632146769 /nfs/dbraw/zinc/14/67/69/632146769.db2.gz DKNQJEZPTADELT-UGSOOPFHSA-N 0 3 301.386 3.003 20 10 DGCDHN c1cc2n(n1)CCC[C@@H]2NCc1ccc(N2CCCCC2)cc1 ZINC000850431273 632150818 /nfs/dbraw/zinc/15/08/18/632150818.db2.gz VNOAFXAMWUUYGQ-SFHVURJKSA-N 0 3 310.445 3.498 20 10 DGCDHN CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000850484145 632167150 /nfs/dbraw/zinc/16/71/50/632167150.db2.gz DBYIRWCMZGZUSG-GFCCVEGCSA-N 0 3 316.376 3.018 20 10 DGCDHN CC[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1[O-] ZINC000850500236 632172545 /nfs/dbraw/zinc/17/25/45/632172545.db2.gz DTGHJCARVDGUCN-IRXDYDNUSA-N 0 3 324.424 3.329 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1[O-] ZINC000850520872 632178264 /nfs/dbraw/zinc/17/82/64/632178264.db2.gz HWRGGOMVHRMPGK-SKDRFNHKSA-N 0 3 305.752 3.429 20 10 DGCDHN C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(F)ccc1[O-] ZINC000850551294 632190100 /nfs/dbraw/zinc/19/01/00/632190100.db2.gz QMCQTLNMVWEULE-LLVKDONJSA-N 0 3 303.381 3.383 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c([O-])c1 ZINC000850573966 632199326 /nfs/dbraw/zinc/19/93/26/632199326.db2.gz UJOFPRJKWMGXKM-CQSZACIVSA-N 0 3 304.434 3.177 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cc(F)ccc1[O-] ZINC000186230756 660350594 /nfs/dbraw/zinc/35/05/94/660350594.db2.gz CAVVEUFUNNVVMQ-TZMCWYRMSA-N 0 3 309.381 3.258 20 10 DGCDHN CC[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1[O-] ZINC000186750535 660573063 /nfs/dbraw/zinc/57/30/63/660573063.db2.gz BKRQDCHWJYWJSA-XJKSGUPXSA-N 0 3 320.433 3.300 20 10 DGCDHN COc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000793232575 661015783 /nfs/dbraw/zinc/01/57/83/661015783.db2.gz YUPALNDFGJAHJW-ONGXEEELSA-N 0 3 319.323 3.182 20 10 DGCDHN CCN(CC)c1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1 ZINC000793394374 661030035 /nfs/dbraw/zinc/03/00/35/661030035.db2.gz FHQCPIUHEGMGBD-UHFFFAOYSA-N 0 3 317.477 3.023 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC3(CCOCC3)CC2)c([O-])c1 ZINC000793625623 661050977 /nfs/dbraw/zinc/05/09/77/661050977.db2.gz SJHBRWTYONSRRO-UHFFFAOYSA-N 0 3 305.418 3.184 20 10 DGCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCOC3)C2)cc1C(C)C ZINC000794707407 661100175 /nfs/dbraw/zinc/10/01/75/661100175.db2.gz RWIORVCONDVEOQ-KXBFYZLASA-N 0 3 319.445 3.204 20 10 DGCDHN CC[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794789915 661105193 /nfs/dbraw/zinc/10/51/93/661105193.db2.gz BAIYDMKMMUSVFF-BQFCYCMXSA-N 0 3 320.477 3.241 20 10 DGCDHN Cc1ncccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160201123 655526760 /nfs/dbraw/zinc/52/67/60/655526760.db2.gz ASXJYHAZSNUDJY-GOSISDBHSA-N 0 3 312.413 3.277 20 10 DGCDHN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c1CCNC2 ZINC000326049456 655691446 /nfs/dbraw/zinc/69/14/46/655691446.db2.gz ZTOLTALSHHYMLA-UHFFFAOYSA-N 0 3 321.424 3.185 20 10 DGCDHN COC(=O)c1cccc(CNCc2ccc(N(C)C)cc2C)c1 ZINC000795935837 661180415 /nfs/dbraw/zinc/18/04/15/661180415.db2.gz RIDKFLLNNMTRGQ-UHFFFAOYSA-N 0 3 312.413 3.137 20 10 DGCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000318262742 655854641 /nfs/dbraw/zinc/85/46/41/655854641.db2.gz IQXYCHWDYOFJRU-HNNXBMFYSA-N 0 3 311.303 3.234 20 10 DGCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC000176985385 655970748 /nfs/dbraw/zinc/97/07/48/655970748.db2.gz MPBLSABUNJLDLM-QWRGUYRKSA-N 0 3 317.364 3.434 20 10 DGCDHN COC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000307764781 655996647 /nfs/dbraw/zinc/99/66/47/655996647.db2.gz NSXJDAMYHGQMLV-AWEZNQCLSA-N 0 3 311.809 3.249 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)CC2 ZINC000716235155 661220113 /nfs/dbraw/zinc/22/01/13/661220113.db2.gz AQBDXASHHYOYIV-ROUUACIJSA-N 0 3 308.425 3.244 20 10 DGCDHN CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183406635 656112592 /nfs/dbraw/zinc/11/25/92/656112592.db2.gz DREGTUQBPUZIAD-YJBOKZPZSA-N 0 3 320.477 3.180 20 10 DGCDHN CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183406650 656112640 /nfs/dbraw/zinc/11/26/40/656112640.db2.gz DREGTUQBPUZIAD-CRAIPNDOSA-N 0 3 320.477 3.180 20 10 DGCDHN CC[C@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccccc1[O-] ZINC000185212100 656124835 /nfs/dbraw/zinc/12/48/35/656124835.db2.gz VFMDILRSXRHHCX-KRWDZBQOSA-N 0 3 312.413 3.035 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000724943318 656530485 /nfs/dbraw/zinc/53/04/85/656530485.db2.gz NPUORPFEHXCHDU-CHWSQXEVSA-N 0 3 306.406 3.052 20 10 DGCDHN CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1[O-] ZINC000155676824 658839885 /nfs/dbraw/zinc/83/98/85/658839885.db2.gz VOABVUDUXGOIBP-QGZVFWFLSA-N 0 3 308.385 3.214 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172798545 659357915 /nfs/dbraw/zinc/35/79/15/659357915.db2.gz OAYKLLPDYULSHM-AWEZNQCLSA-N 0 3 320.433 3.081 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172798545 659357922 /nfs/dbraw/zinc/35/79/22/659357922.db2.gz OAYKLLPDYULSHM-AWEZNQCLSA-N 0 3 320.433 3.081 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCCCOC(C)C)c1[O-] ZINC000230935783 659359781 /nfs/dbraw/zinc/35/97/81/659359781.db2.gz JPFTWRWWBJMAMQ-UHFFFAOYSA-N 0 3 301.814 3.349 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1ccns1)C[C@H]1CCCO1 ZINC000929970729 659868191 /nfs/dbraw/zinc/86/81/91/659868191.db2.gz KMYGDRADSTUWEY-OAHLLOKOSA-N 0 3 318.442 3.072 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1ccns1)C[C@H]1CCCO1 ZINC000929970729 659868196 /nfs/dbraw/zinc/86/81/96/659868196.db2.gz KMYGDRADSTUWEY-OAHLLOKOSA-N 0 3 318.442 3.072 20 10 DGCDHN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000180205633 659956242 /nfs/dbraw/zinc/95/62/42/659956242.db2.gz DELLYVUOTSLPJX-KRWDZBQOSA-N 0 3 303.377 3.304 20 10 DGCDHN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000180205633 659956243 /nfs/dbraw/zinc/95/62/43/659956243.db2.gz DELLYVUOTSLPJX-KRWDZBQOSA-N 0 3 303.377 3.304 20 10 DGCDHN CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180286843 659957884 /nfs/dbraw/zinc/95/78/84/659957884.db2.gz DOIWSQBDDHZYGF-ZDUSSCGKSA-N 0 3 309.381 3.087 20 10 DGCDHN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180286843 659957885 /nfs/dbraw/zinc/95/78/85/659957885.db2.gz DOIWSQBDDHZYGF-ZDUSSCGKSA-N 0 3 309.381 3.087 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cnn(-c3ccccc3)c2)c1 ZINC000182461751 660054375 /nfs/dbraw/zinc/05/43/75/660054375.db2.gz QWSLVNXSXDNNKA-AWEZNQCLSA-N 0 3 323.396 3.437 20 10 DGCDHN CCOC(=O)CCCN(Cc1ccco1)Cc1ccccc1O ZINC000070975196 660102864 /nfs/dbraw/zinc/10/28/64/660102864.db2.gz AOINZBXZYVQNQD-UHFFFAOYSA-N 0 3 317.385 3.331 20 10 DGCDHN C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1ccccc1[O-] ZINC000183409657 660110275 /nfs/dbraw/zinc/11/02/75/660110275.db2.gz QGJIRGVNOFOJNI-HNNXBMFYSA-N 0 3 324.424 3.365 20 10 DGCDHN CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183406615 660110311 /nfs/dbraw/zinc/11/03/11/660110311.db2.gz DREGTUQBPUZIAD-MAUKXSAKSA-N 0 3 320.477 3.180 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1[O-] ZINC000183459609 660115229 /nfs/dbraw/zinc/11/52/29/660115229.db2.gz KNBRQQYWFQAQGM-OAHLLOKOSA-N 0 3 312.413 3.080 20 10 DGCDHN CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183465714 660116594 /nfs/dbraw/zinc/11/65/94/660116594.db2.gz WCWREQJZJTWSJU-CQSZACIVSA-N 0 3 304.434 3.080 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929976238 661355350 /nfs/dbraw/zinc/35/53/50/661355350.db2.gz MKYPESAXGKCUEG-TZMCWYRMSA-N 0 3 303.324 3.324 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929976238 661355352 /nfs/dbraw/zinc/35/53/52/661355352.db2.gz MKYPESAXGKCUEG-TZMCWYRMSA-N 0 3 303.324 3.324 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCCCCC1 ZINC000076074500 661966648 /nfs/dbraw/zinc/96/66/48/661966648.db2.gz RQCNLKNOWOWRPU-INIZCTEOSA-N 0 3 318.461 3.395 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCCCCC1 ZINC000076074500 661966651 /nfs/dbraw/zinc/96/66/51/661966651.db2.gz RQCNLKNOWOWRPU-INIZCTEOSA-N 0 3 318.461 3.395 20 10 DGCDHN Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000191564953 662072771 /nfs/dbraw/zinc/07/27/71/662072771.db2.gz XAMKVCDYHJRKJR-CJNGLKHVSA-N 0 3 303.377 3.094 20 10 DGCDHN CN1CCN(Cc2cc(F)ccc2O)[C@@H](c2ccccc2)C1 ZINC000245534031 662234788 /nfs/dbraw/zinc/23/47/88/662234788.db2.gz VXNCAXFSCOJEFV-QGZVFWFLSA-N 0 3 300.377 3.020 20 10 DGCDHN COc1ccc(C[NH2+][C@H](C)CCOCc2ccccc2)c([O-])c1 ZINC000389971282 685198088 /nfs/dbraw/zinc/19/80/88/685198088.db2.gz VCOHNJZFKBCUIH-OAHLLOKOSA-N 0 3 315.413 3.486 20 10 DGCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N(C)Cc1ccccc1 ZINC000390563192 685202910 /nfs/dbraw/zinc/20/29/10/685202910.db2.gz NOAYFQGKWSPEIF-YJBOKZPZSA-N 0 3 310.441 3.490 20 10 DGCDHN [NH3+]C[C@@]12CN(Cc3c([O-])ccc(Cl)c3F)C[C@H]1CCCC2 ZINC001580256856 1192016773 /nfs/dbraw/zinc/01/67/73/1192016773.db2.gz YNHAUXUQZFHCCC-BZNIZROVSA-N 0 3 312.816 3.136 20 10 DGCDHN CC[C@@H](NCc1c(C)c2ccccc2n1C)[C@@H](O)C(F)(F)F ZINC001178369982 1177794688 /nfs/dbraw/zinc/79/46/88/1177794688.db2.gz SEHMJZDBWHIEHH-IUODEOHRSA-N 0 3 314.351 3.278 20 10 DGCDHN OC[C@]1(NCc2ccc3c(c2)CCCO3)CCCc2ccccc21 ZINC001474122971 1181582870 /nfs/dbraw/zinc/58/28/70/1181582870.db2.gz INUVBJXPIDNURX-OAQYLSRUSA-N 0 3 323.436 3.325 20 10 DGCDHN Fc1cccn2cc(CNCCCSc3nccs3)nc12 ZINC001461234156 1182783462 /nfs/dbraw/zinc/78/34/62/1182783462.db2.gz YHYQKXMLFVOBCR-UHFFFAOYSA-N 0 3 322.434 3.202 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC001462252379 1182928891 /nfs/dbraw/zinc/92/88/91/1182928891.db2.gz VGNKDRVEIKTTEE-DLBZAZTESA-N 0 3 305.418 3.099 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC001462252379 1182928893 /nfs/dbraw/zinc/92/88/93/1182928893.db2.gz VGNKDRVEIKTTEE-DLBZAZTESA-N 0 3 305.418 3.099 20 10 DGCDHN Cc1ccc(C[NH2+]CCc2cccc3c2OC(F)(F)O3)c([O-])c1 ZINC001462438267 1182952427 /nfs/dbraw/zinc/95/24/27/1182952427.db2.gz JTIHVVZLGBKOMI-UHFFFAOYSA-N 0 3 321.323 3.354 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462443481 1182954014 /nfs/dbraw/zinc/95/40/14/1182954014.db2.gz RHVVPAVMTGMXFW-CYBMUJFWSA-N 0 3 310.388 3.167 20 10 DGCDHN [O-]c1cc(F)c(F)cc1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462443481 1182954018 /nfs/dbraw/zinc/95/40/18/1182954018.db2.gz RHVVPAVMTGMXFW-CYBMUJFWSA-N 0 3 310.388 3.167 20 10 DGCDHN C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC001462463391 1182956492 /nfs/dbraw/zinc/95/64/92/1182956492.db2.gz VBQKJLZCGOHQJM-LRDDRELGSA-N 0 3 312.404 3.223 20 10 DGCDHN C[C@@H](CN(C)C)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463391 1182956496 /nfs/dbraw/zinc/95/64/96/1182956496.db2.gz VBQKJLZCGOHQJM-LRDDRELGSA-N 0 3 312.404 3.223 20 10 DGCDHN C[C@@H](CN(C)C)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463391 1182956500 /nfs/dbraw/zinc/95/65/00/1182956500.db2.gz VBQKJLZCGOHQJM-LRDDRELGSA-N 0 3 312.404 3.223 20 10 DGCDHN CO[C@H](C)CN(Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001474316949 1183903883 /nfs/dbraw/zinc/90/38/83/1183903883.db2.gz GWYMCRUDRXZCJW-GFCCVEGCSA-N 0 3 300.393 3.276 20 10 DGCDHN Cc1cc(N(C)C)ccc1CN1CCN(c2cccs2)CC1 ZINC001474344958 1183906770 /nfs/dbraw/zinc/90/67/70/1183906770.db2.gz YBLXNBSWYSFTML-UHFFFAOYSA-N 0 3 315.486 3.445 20 10 DGCDHN COc1cc(C)c(CN2Cc3ccccc3OC[C@@H]2C)c(O)c1 ZINC001474437120 1183922114 /nfs/dbraw/zinc/92/21/14/1183922114.db2.gz CRAXKEYCUOLUHK-AWEZNQCLSA-N 0 3 313.397 3.492 20 10 DGCDHN COc1cc(C)c(CN2Cc3ccccc3O[C@H](C)C2)c(O)c1 ZINC001474555746 1183939510 /nfs/dbraw/zinc/93/95/10/1183939510.db2.gz ZRLBWBWMZINHLN-CQSZACIVSA-N 0 3 313.397 3.492 20 10 DGCDHN CC[C@@H](COCC1CC1)NCc1cc(F)c(N(C)C)cc1F ZINC001656618343 1196055498 /nfs/dbraw/zinc/05/54/98/1196055498.db2.gz XADAYLKTUQAYRH-AWEZNQCLSA-N 0 3 312.404 3.326 20 10 DGCDHN CCCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001616867275 1193549618 /nfs/dbraw/zinc/54/96/18/1193549618.db2.gz SVESEHSZNREXQW-QGZVFWFLSA-N 0 3 319.493 3.298 20 10 DGCDHN COc1ccc(C[NH2+]CCSCc2ccccc2)c([O-])c1 ZINC001560784890 1189382035 /nfs/dbraw/zinc/38/20/35/1189382035.db2.gz XSBIURLLWBHRNS-UHFFFAOYSA-N 0 3 303.427 3.424 20 10 DGCDHN CC(C)c1ccc([O-])c(C[NH2+]CC2(CC(N)=O)CCCCC2)c1 ZINC001560947474 1189409847 /nfs/dbraw/zinc/40/98/47/1189409847.db2.gz ZCVGCKYUGMMBCJ-UHFFFAOYSA-N 0 3 318.461 3.431 20 10 DGCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001560954094 1189410284 /nfs/dbraw/zinc/41/02/84/1189410284.db2.gz GOJYHGZGBMGGSG-SECBINFHSA-N 0 3 302.305 3.229 20 10 DGCDHN COc1cc(C)c(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c([O-])c1 ZINC001561042501 1189425394 /nfs/dbraw/zinc/42/53/94/1189425394.db2.gz CDJHTBUBEYVTOB-HOTGVXAUSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1cc(C)c(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c([O-])c1 ZINC001561042501 1189425400 /nfs/dbraw/zinc/42/54/00/1189425400.db2.gz CDJHTBUBEYVTOB-HOTGVXAUSA-N 0 3 319.445 3.348 20 10 DGCDHN COc1ccc(CN2CCO[C@H](C(C)(C)C)CC2)c(O)c1OC ZINC001561051806 1189428140 /nfs/dbraw/zinc/42/81/40/1189428140.db2.gz JQPUKUNHHRDKOT-HNNXBMFYSA-N 0 3 323.433 3.046 20 10 DGCDHN C[N@@H+]1CCN(Cc2cc(F)cc(F)c2[O-])[C@H](c2ccccc2)C1 ZINC001621112244 1193804154 /nfs/dbraw/zinc/80/41/54/1193804154.db2.gz ICFOQVVBHNBNFB-KRWDZBQOSA-N 0 3 318.367 3.159 20 10 DGCDHN C[N@H+]1CCN(Cc2cc(F)cc(F)c2[O-])[C@H](c2ccccc2)C1 ZINC001621112244 1193804155 /nfs/dbraw/zinc/80/41/55/1193804155.db2.gz ICFOQVVBHNBNFB-KRWDZBQOSA-N 0 3 318.367 3.159 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001621114674 1193805120 /nfs/dbraw/zinc/80/51/20/1193805120.db2.gz QVFJEIWSNOEESB-RDJZCZTQSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001621114674 1193805124 /nfs/dbraw/zinc/80/51/24/1193805124.db2.gz QVFJEIWSNOEESB-RDJZCZTQSA-N 0 3 318.461 3.217 20 10 DGCDHN COc1cc(C)c(CN2CCC[C@H]2c2cc(C)no2)c(O)c1 ZINC001621184150 1193814043 /nfs/dbraw/zinc/81/40/43/1193814043.db2.gz IAWCXVHOHOOUQP-HNNXBMFYSA-N 0 3 302.374 3.343 20 10 DGCDHN Cc1cc(CN2CCOC(C3CC3)(C3CC3)C2)ccc1N(C)C ZINC001647866080 1195261860 /nfs/dbraw/zinc/26/18/60/1195261860.db2.gz GYQSDPFQVCVDHG-UHFFFAOYSA-N 0 3 314.473 3.452 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c([O-])c1 ZINC001652279238 1195574143 /nfs/dbraw/zinc/57/41/43/1195574143.db2.gz XDKGDYDTIWQANB-LJQANCHMSA-N 0 3 315.413 3.149 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@H]2CCCCC23OCCO3)cc1 ZINC001653246668 1195703461 /nfs/dbraw/zinc/70/34/61/1195703461.db2.gz WFDYNENSTHWBKM-QWNKOJSDSA-N 0 3 316.445 3.041 20 10 DGCDHN FC1(F)Oc2ccc(CNCc3ccc4c(c3)CCO4)cc2O1 ZINC001655476501 1195922695 /nfs/dbraw/zinc/92/26/95/1195922695.db2.gz IQEWGDGZVJKTRY-UHFFFAOYSA-N 0 3 319.307 3.233 20 10 DGCDHN CCOCc1cc(CNCc2ccc(O)c(F)c2)ccc1OC ZINC001656583550 1196052316 /nfs/dbraw/zinc/05/23/16/1196052316.db2.gz MLBSNXVBJQIPLN-UHFFFAOYSA-N 0 3 319.376 3.366 20 10 DGCDHN CCc1cc(OC)ccc1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC001658992306 1196329935 /nfs/dbraw/zinc/32/99/35/1196329935.db2.gz FGNLOUIOHKFFGN-UHFFFAOYSA-N 0 3 301.386 3.262 20 10 DGCDHN CCc1cccc(CN2CCN(Cc3ccsc3)CC2)c1O ZINC001659229006 1196360857 /nfs/dbraw/zinc/36/08/57/1196360857.db2.gz AHRNHQDWUDLGSJ-UHFFFAOYSA-N 0 3 316.470 3.334 20 10 DGCDHN COc1cc(C)c(C[NH2+]CCc2ncc(C)cc2C)c([O-])c1 ZINC001659546177 1196394187 /nfs/dbraw/zinc/39/41/87/1196394187.db2.gz WGAZJAHTSKQMKT-UHFFFAOYSA-N 0 3 300.402 3.053 20 10 DGCDHN COCC[N@H+](Cc1c(C)cc(OC)cc1[O-])[C@H]1CC[C@@H](C)C1 ZINC001659643911 1196401771 /nfs/dbraw/zinc/40/17/71/1196401771.db2.gz MHZOANUDCPFCNC-HIFRSBDPSA-N 0 3 307.434 3.346 20 10 DGCDHN COCC[N@@H+](Cc1c(C)cc(OC)cc1[O-])[C@H]1CC[C@@H](C)C1 ZINC001659643911 1196401773 /nfs/dbraw/zinc/40/17/73/1196401773.db2.gz MHZOANUDCPFCNC-HIFRSBDPSA-N 0 3 307.434 3.346 20 10 DGCDHN Cc1ccc(CNCc2ccc(Br)cn2)c(O)c1 ZINC001659862061 1196423210 /nfs/dbraw/zinc/42/32/10/1196423210.db2.gz JPOMVCVCUZCMEM-UHFFFAOYSA-N 0 3 307.191 3.148 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c([O-])c1 ZINC001659952185 1196431957 /nfs/dbraw/zinc/43/19/57/1196431957.db2.gz LAZMITWHJACKPF-QFBILLFUSA-N 0 3 310.441 3.453 20 10 DGCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C12CCC2 ZINC001663821123 1196947910 /nfs/dbraw/zinc/94/79/10/1196947910.db2.gz CVSBZEUZMLHIKM-QZTJIDSGSA-N 0 3 319.445 3.489 20 10 DGCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C12CCC2 ZINC001663821123 1196947917 /nfs/dbraw/zinc/94/79/17/1196947917.db2.gz CVSBZEUZMLHIKM-QZTJIDSGSA-N 0 3 319.445 3.489 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@H](C)c2ncc(C)s2)c([O-])c1 ZINC001664210302 1196980126 /nfs/dbraw/zinc/98/01/26/1196980126.db2.gz XPZRUWRIQSDGQM-NSHDSACASA-N 0 3 306.431 3.367 20 10 DGCDHN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001665857998 1197207856 /nfs/dbraw/zinc/20/78/56/1197207856.db2.gz NEMXFOIXDWBDKJ-KGLIPLIRSA-N 0 3 309.381 3.131 20 10 DGCDHN CCC(C)(C)C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001754164738 1200118763 /nfs/dbraw/zinc/11/87/63/1200118763.db2.gz NVUSTJWFVXFWDW-BQYQJAHWSA-N 0 3 318.461 3.202 20 10 DGCDHN CC/C=C(/C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001699647738 1202012226 /nfs/dbraw/zinc/01/22/26/1202012226.db2.gz SPNCTLBLUZRUFS-NSIKDUERSA-N 0 3 316.445 3.098 20 10 DGCDHN CC/C(C)=C/C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001699651340 1202014932 /nfs/dbraw/zinc/01/49/32/1202014932.db2.gz BEIIXXLILSVXTC-GXDHUFHOSA-N 0 3 316.445 3.098 20 10 DGCDHN CCN(CC)c1ccc(CNCc2cnccc2N(C)C)cc1 ZINC001648832791 1081938196 /nfs/dbraw/zinc/93/81/96/1081938196.db2.gz MOHFBOWKEJLJSW-UHFFFAOYSA-N 0 3 312.461 3.284 20 10 DGCDHN Cc1c(O)ccc(CN(C)CCC(=O)c2cccs2)c1O ZINC001140747544 1082959327 /nfs/dbraw/zinc/95/93/27/1082959327.db2.gz FGWQNZIEDKYKKG-UHFFFAOYSA-N 0 3 305.399 3.173 20 10 DGCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c([O-])c1 ZINC001183822782 1084046463 /nfs/dbraw/zinc/04/64/63/1084046463.db2.gz MGAKGUWLWKMQPJ-AWEZNQCLSA-N 0 3 305.418 3.148 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@@](C)(CO)C2)cc1F ZINC000093340750 1087087480 /nfs/dbraw/zinc/08/74/80/1087087480.db2.gz UOHSCFNUHNTPIU-GOSISDBHSA-N 0 3 308.441 3.266 20 10 DGCDHN COc1ccccc1[C@@H](O)C[N@H+](Cc1ccccc1[O-])C(C)C ZINC001203558457 1090613409 /nfs/dbraw/zinc/61/34/09/1090613409.db2.gz HTANVMVZHVDPRJ-SFHVURJKSA-N 0 3 315.413 3.345 20 10 DGCDHN COc1ccccc1[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C(C)C ZINC001203558457 1090613414 /nfs/dbraw/zinc/61/34/14/1090613414.db2.gz HTANVMVZHVDPRJ-SFHVURJKSA-N 0 3 315.413 3.345 20 10 DGCDHN CC1(C)[N@H+](Cc2ccccc2[O-])CC[C@]12c1ccccc1OC2=O ZINC001203560906 1090756384 /nfs/dbraw/zinc/75/63/84/1090756384.db2.gz KGECHANOYHBXGN-HXUWFJFHSA-N 0 3 323.392 3.234 20 10 DGCDHN CC1(C)[N@@H+](Cc2ccccc2[O-])CC[C@]12c1ccccc1OC2=O ZINC001203560906 1090756389 /nfs/dbraw/zinc/75/63/89/1090756389.db2.gz KGECHANOYHBXGN-HXUWFJFHSA-N 0 3 323.392 3.234 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001203561652 1090756632 /nfs/dbraw/zinc/75/66/32/1090756632.db2.gz XRLRTYHJLLEOQB-HKUYNNGSSA-N 0 3 308.425 3.099 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001203561652 1090756636 /nfs/dbraw/zinc/75/66/36/1090756636.db2.gz XRLRTYHJLLEOQB-HKUYNNGSSA-N 0 3 308.425 3.099 20 10 DGCDHN O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203560873 1090756809 /nfs/dbraw/zinc/75/68/09/1090756809.db2.gz IRRULKABHMLEKB-QGZVFWFLSA-N 0 3 322.408 3.013 20 10 DGCDHN O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203560873 1090756815 /nfs/dbraw/zinc/75/68/15/1090756815.db2.gz IRRULKABHMLEKB-QGZVFWFLSA-N 0 3 322.408 3.013 20 10 DGCDHN CCCCCCN1CCN(Cc2ccc(OC)cc2O)CC1 ZINC001203627545 1090769132 /nfs/dbraw/zinc/76/91/32/1090769132.db2.gz IERUHQUSEZZEKZ-UHFFFAOYSA-N 0 3 306.450 3.099 20 10 DGCDHN COc1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c([O-])c1 ZINC001203634366 1090770002 /nfs/dbraw/zinc/77/00/02/1090770002.db2.gz BJIAQJBHPGBBNQ-MRXNPFEDSA-N 0 3 311.381 3.106 20 10 DGCDHN COc1ccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c([O-])c1 ZINC001203634366 1090770006 /nfs/dbraw/zinc/77/00/06/1090770006.db2.gz BJIAQJBHPGBBNQ-MRXNPFEDSA-N 0 3 311.381 3.106 20 10 DGCDHN CC(C)(C)c1cccc(CN2CCC(F)(F)[C@H](CO)C2)c1O ZINC001143103488 1090934740 /nfs/dbraw/zinc/93/47/40/1090934740.db2.gz DQVLTDSCHGDPLL-ZDUSSCGKSA-N 0 3 313.388 3.139 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001204275453 1090938120 /nfs/dbraw/zinc/93/81/20/1090938120.db2.gz QMGMFXFKZPMWAW-UHFFFAOYSA-N 0 3 317.360 3.280 20 10 DGCDHN COc1cccc(CCC[N@H+](C)Cc2ccc(O)cc2[O-])c1 ZINC001204279983 1090939195 /nfs/dbraw/zinc/93/91/95/1090939195.db2.gz HJVIDNSLBDTICC-UHFFFAOYSA-N 0 3 301.386 3.171 20 10 DGCDHN COc1cccc(CCC[N@@H+](C)Cc2ccc(O)cc2[O-])c1 ZINC001204279983 1090939199 /nfs/dbraw/zinc/93/91/99/1090939199.db2.gz HJVIDNSLBDTICC-UHFFFAOYSA-N 0 3 301.386 3.171 20 10 DGCDHN COc1cc(CN2CCCC3(CC(F)C3)CC2)cc(O)c1O ZINC001204344816 1090952604 /nfs/dbraw/zinc/95/26/04/1090952604.db2.gz DTIXQJKHVPJLKU-UHFFFAOYSA-N 0 3 309.381 3.211 20 10 DGCDHN CCc1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1O ZINC001205053139 1091091716 /nfs/dbraw/zinc/09/17/16/1091091716.db2.gz RAVAVAAIQYWCFL-UHFFFAOYSA-N 0 3 314.404 3.416 20 10 DGCDHN CN1CCN(C2(c3ccc(Nc4ccc(N)cc4)cc3)CC2)CC1 ZINC001205113383 1091105427 /nfs/dbraw/zinc/10/54/27/1091105427.db2.gz JTAUKHNKVLLKFN-UHFFFAOYSA-N 0 3 322.456 3.249 20 10 DGCDHN CCN(CC)c1ccc(CN2CCCO[C@@H](C)C2)c(OC)c1 ZINC001138386191 1091161310 /nfs/dbraw/zinc/16/13/10/1091161310.db2.gz IXTHRXVJYXQKBU-HNNXBMFYSA-N 0 3 306.450 3.152 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@H]3COC[C@@H]3C2)c(OC)c1 ZINC001138389211 1091163080 /nfs/dbraw/zinc/16/30/80/1091163080.db2.gz FOMBMNUIMGFNCL-IRXDYDNUSA-N 0 3 318.461 3.010 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001138390435 1091166139 /nfs/dbraw/zinc/16/61/39/1091166139.db2.gz WZQQUAWHVCQKMF-AEFFLSMTSA-N 0 3 318.461 3.152 20 10 DGCDHN CN(Cc1ccc(N2CCCCC2)nc1)Cc1ccccc1O ZINC001139345589 1091527043 /nfs/dbraw/zinc/52/70/43/1091527043.db2.gz RZORXOCHURSSBG-UHFFFAOYSA-N 0 3 311.429 3.410 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001140056057 1091751001 /nfs/dbraw/zinc/75/10/01/1091751001.db2.gz GLVLHWFRBULIJL-HZPDHXFCSA-N 0 3 312.388 3.100 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001140055454 1091751641 /nfs/dbraw/zinc/75/16/41/1091751641.db2.gz ZRDMWTPUKGNXND-UHFFFAOYSA-N 0 3 316.376 3.108 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001140055454 1091751646 /nfs/dbraw/zinc/75/16/46/1091751646.db2.gz ZRDMWTPUKGNXND-UHFFFAOYSA-N 0 3 316.376 3.108 20 10 DGCDHN Oc1ccc(F)cc1CN1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001140055688 1091752806 /nfs/dbraw/zinc/75/28/06/1091752806.db2.gz PLGFIPCBEBKKSV-AWEZNQCLSA-N 0 3 323.314 3.463 20 10 DGCDHN COc1cc(CN(C)Cc2ccc(O)c(C)c2O)cc(OC)c1 ZINC001140745371 1091983293 /nfs/dbraw/zinc/98/32/93/1091983293.db2.gz HKEATXLCXVHAHW-UHFFFAOYSA-N 0 3 317.385 3.055 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@]3(CCOC3)C2)c(Cl)c1 ZINC001140922557 1092063151 /nfs/dbraw/zinc/06/31/51/1092063151.db2.gz ULPPDXNRFLAAQB-KRWDZBQOSA-N 0 3 308.853 3.409 20 10 DGCDHN CN(C)c1ccc(CN2CCC[C@@](O)(CF)CC2)c(Cl)c1 ZINC001140921928 1092063259 /nfs/dbraw/zinc/06/32/59/1092063259.db2.gz WFMBKTOOQVCDBL-INIZCTEOSA-N 0 3 314.832 3.093 20 10 DGCDHN Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140949503 1092074195 /nfs/dbraw/zinc/07/41/95/1092074195.db2.gz CEWUFFUONCXTBK-HNNXBMFYSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001140949503 1092074202 /nfs/dbraw/zinc/07/42/02/1092074202.db2.gz CEWUFFUONCXTBK-HNNXBMFYSA-N 0 3 305.418 3.254 20 10 DGCDHN Cc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC001140949978 1092075219 /nfs/dbraw/zinc/07/52/19/1092075219.db2.gz PFSZJOPOGPOKOS-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN COc1cc([O-])c(C[N@H+](C)CCc2ccc(F)cc2)c(OC)c1 ZINC001141028597 1092111530 /nfs/dbraw/zinc/11/15/30/1092111530.db2.gz WOWDAZNUWQEDAO-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccc(F)cc2)c(OC)c1 ZINC001141028597 1092111533 /nfs/dbraw/zinc/11/15/33/1092111533.db2.gz WOWDAZNUWQEDAO-UHFFFAOYSA-N 0 3 319.376 3.223 20 10 DGCDHN COc1ccc(N2CCN(CCCc3ccc(C)o3)CC2)cc1 ZINC001207937102 1092149651 /nfs/dbraw/zinc/14/96/51/1092149651.db2.gz GLFCBHZUBVQZBD-UHFFFAOYSA-N 0 3 314.429 3.351 20 10 DGCDHN C[C@H]([NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001168819988 1092397201 /nfs/dbraw/zinc/39/72/01/1092397201.db2.gz XABWROMBTCSVEX-IHRRRGAJSA-N 0 3 320.433 3.441 20 10 DGCDHN CC(C)(C)c1cccc(CN2CCCC3(C2)OCCO3)c1O ZINC001143112866 1092617935 /nfs/dbraw/zinc/61/79/35/1092617935.db2.gz ZWSCBOXIUIGQHW-UHFFFAOYSA-N 0 3 305.418 3.029 20 10 DGCDHN CCC(CC)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882648 1094323678 /nfs/dbraw/zinc/32/36/78/1094323678.db2.gz SPAFQZLCWFRDMH-GOSISDBHSA-N 0 3 319.493 3.298 20 10 DGCDHN CCOc1ccc(CN(C)Cc2ccc(N)cc2)cc1OC ZINC001120262744 1094397510 /nfs/dbraw/zinc/39/75/10/1094397510.db2.gz CDBUBFHZCSCUOF-UHFFFAOYSA-N 0 3 300.402 3.308 20 10 DGCDHN Cc1nc([C@@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)no1 ZINC001139670005 1095615358 /nfs/dbraw/zinc/61/53/58/1095615358.db2.gz VAFNJWCHLKGPGN-MRXNPFEDSA-N 0 3 314.433 3.132 20 10 DGCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171458221 1096890291 /nfs/dbraw/zinc/89/02/91/1096890291.db2.gz JJDPSULWBORRAO-CYBMUJFWSA-N 0 3 305.324 3.023 20 10 DGCDHN COC(=O)CN(Cc1c(O)ccc2ccccc21)C1CCCC1 ZINC001231591090 1097786613 /nfs/dbraw/zinc/78/66/13/1097786613.db2.gz SNHOBEQAKRLUOT-UHFFFAOYSA-N 0 3 313.397 3.463 20 10 DGCDHN Cc1cccc(CN2CCN(Cc3ccccc3F)CC2)c1O ZINC001231592527 1097787534 /nfs/dbraw/zinc/78/75/34/1097787534.db2.gz NXHCDFJHKDTGNY-UHFFFAOYSA-N 0 3 314.404 3.158 20 10 DGCDHN CCN(CC[NH+](CC)CC)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232264732 1097987348 /nfs/dbraw/zinc/98/73/48/1097987348.db2.gz LSIJRYJFARLZCS-UHFFFAOYSA-N 0 3 314.857 3.218 20 10 DGCDHN CCC[N@H+](CCCN(C)C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232271664 1097988757 /nfs/dbraw/zinc/98/87/57/1097988757.db2.gz ZLHIFSMEXCDXDQ-UHFFFAOYSA-N 0 3 314.857 3.218 20 10 DGCDHN CCC[N@@H+](CCCN(C)C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232271664 1097988763 /nfs/dbraw/zinc/98/87/63/1097988763.db2.gz ZLHIFSMEXCDXDQ-UHFFFAOYSA-N 0 3 314.857 3.218 20 10 DGCDHN CC(C)(C)c1ccc(O)c(CN2CC(N3CCCCC3)C2)c1 ZINC001233286587 1098276098 /nfs/dbraw/zinc/27/60/98/1098276098.db2.gz ZWMBNXODLSCYHZ-UHFFFAOYSA-N 0 3 302.462 3.360 20 10 DGCDHN CCCOC1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233289684 1098277355 /nfs/dbraw/zinc/27/73/55/1098277355.db2.gz HPCAMWUDJLXHOR-UHFFFAOYSA-N 0 3 313.825 3.445 20 10 DGCDHN COCC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C(C)C ZINC001234552872 1098595824 /nfs/dbraw/zinc/59/58/24/1098595824.db2.gz MQJFWUYSQNZRFE-UHFFFAOYSA-N 0 3 303.402 3.411 20 10 DGCDHN COCC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C(C)C ZINC001234552872 1098595831 /nfs/dbraw/zinc/59/58/31/1098595831.db2.gz MQJFWUYSQNZRFE-UHFFFAOYSA-N 0 3 303.402 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[NH+]3CC([C@H](C)OC)C3)c2c1 ZINC001234569282 1098604010 /nfs/dbraw/zinc/60/40/10/1098604010.db2.gz KNLRRPNDBYISLL-LBPRGKRZSA-N 0 3 301.386 3.021 20 10 DGCDHN CCN1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H]1C ZINC001234577226 1098606774 /nfs/dbraw/zinc/60/67/74/1098606774.db2.gz BWSGQHHJRHOUCG-CQSZACIVSA-N 0 3 314.429 3.080 20 10 DGCDHN CCN1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H]1C ZINC001234577226 1098606782 /nfs/dbraw/zinc/60/67/82/1098606782.db2.gz BWSGQHHJRHOUCG-CQSZACIVSA-N 0 3 314.429 3.080 20 10 DGCDHN CCN1CCN(c2ccc(O[C@H](C)C(F)(F)F)cc2)CC1 ZINC001234658262 1098634788 /nfs/dbraw/zinc/63/47/88/1098634788.db2.gz YVJFNIANYQKANP-GFCCVEGCSA-N 0 3 302.340 3.158 20 10 DGCDHN CCN1CCN(c2ccc(O[C@@H]3CCCC[C@@H]3F)cc2)CC1 ZINC001234660373 1098637287 /nfs/dbraw/zinc/63/72/87/1098637287.db2.gz HDZGLBODRCTOLP-ZWKOTPCHSA-N 0 3 306.425 3.488 20 10 DGCDHN CN1CCC[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@@H]21 ZINC001235678081 1099119954 /nfs/dbraw/zinc/11/99/54/1099119954.db2.gz ADYPRGVBONWUPI-PBHICJAKSA-N 0 3 302.462 3.216 20 10 DGCDHN CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@@H]21 ZINC001235678081 1099119959 /nfs/dbraw/zinc/11/99/59/1099119959.db2.gz ADYPRGVBONWUPI-PBHICJAKSA-N 0 3 302.462 3.216 20 10 DGCDHN CC(C)(C)c1ccc(CN2CCCC3(C2)OCCO3)c(O)c1 ZINC001235677405 1099120401 /nfs/dbraw/zinc/12/04/01/1099120401.db2.gz DKVBPOGHBNQEDD-UHFFFAOYSA-N 0 3 305.418 3.029 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@@H]1C ZINC001235679565 1099121585 /nfs/dbraw/zinc/12/15/85/1099121585.db2.gz POOYWJJWXYPLHL-CZUORRHYSA-N 0 3 319.445 3.463 20 10 DGCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@@H]1C ZINC001235679565 1099121590 /nfs/dbraw/zinc/12/15/90/1099121590.db2.gz POOYWJJWXYPLHL-CZUORRHYSA-N 0 3 319.445 3.463 20 10 DGCDHN CC(C)(C)c1ccc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c([O-])c1 ZINC001235679589 1099122834 /nfs/dbraw/zinc/12/28/34/1099122834.db2.gz PWXFGKBGBLKLHE-UHFFFAOYSA-N 0 3 312.413 3.349 20 10 DGCDHN CC(C)(C)c1ccc(C[N@H+]2CCc3c(cc[nH]c3=O)C2)c([O-])c1 ZINC001235679589 1099122838 /nfs/dbraw/zinc/12/28/38/1099122838.db2.gz PWXFGKBGBLKLHE-UHFFFAOYSA-N 0 3 312.413 3.349 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1cccs1 ZINC001236116316 1099405021 /nfs/dbraw/zinc/40/50/21/1099405021.db2.gz LRCJEJJGSPBIGL-CYBMUJFWSA-N 0 3 308.834 3.254 20 10 DGCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236129371 1099417610 /nfs/dbraw/zinc/41/76/10/1099417610.db2.gz NULHLECFQZSQDS-MRXNPFEDSA-N 0 3 320.795 3.331 20 10 DGCDHN CCCC[N@@H+](CC)Cc1cc(O)c(Br)cc1[O-] ZINC001236771882 1099775849 /nfs/dbraw/zinc/77/58/49/1099775849.db2.gz GNSFLTRNBMKSBC-UHFFFAOYSA-N 0 3 302.212 3.482 20 10 DGCDHN CC[N@H+](Cc1cc(OC)c(Br)cc1[O-])C(C)C ZINC001236746283 1099769075 /nfs/dbraw/zinc/76/90/75/1099769075.db2.gz WUQHPRKPRSAXKB-UHFFFAOYSA-N 0 3 302.212 3.394 20 10 DGCDHN CC[N@@H+](Cc1cc(OC)c(Br)cc1[O-])C(C)C ZINC001236746283 1099769081 /nfs/dbraw/zinc/76/90/81/1099769081.db2.gz WUQHPRKPRSAXKB-UHFFFAOYSA-N 0 3 302.212 3.394 20 10 DGCDHN CCCC[N@H+](CC)Cc1cc(O)c(Br)cc1[O-] ZINC001236771882 1099775844 /nfs/dbraw/zinc/77/58/44/1099775844.db2.gz GNSFLTRNBMKSBC-UHFFFAOYSA-N 0 3 302.212 3.482 20 10 DGCDHN CCC[NH+](CCC)Cc1cc(O)c(Br)cc1[O-] ZINC001236773852 1099778988 /nfs/dbraw/zinc/77/89/88/1099778988.db2.gz UZODRJGJDWWZCZ-UHFFFAOYSA-N 0 3 302.212 3.482 20 10 DGCDHN CCc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236795600 1099790706 /nfs/dbraw/zinc/79/07/06/1099790706.db2.gz WXVLTXZVJHWYQQ-OAHLLOKOSA-N 0 3 305.418 3.118 20 10 DGCDHN CCc1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236795600 1099790715 /nfs/dbraw/zinc/79/07/15/1099790715.db2.gz WXVLTXZVJHWYQQ-OAHLLOKOSA-N 0 3 305.418 3.118 20 10 DGCDHN COC(=O)C1(C)CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236842834 1099825746 /nfs/dbraw/zinc/82/57/46/1099825746.db2.gz YUCSSOIRWCXHQO-UHFFFAOYSA-N 0 3 313.397 3.321 20 10 DGCDHN CCOc1ccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC001237046848 1099942997 /nfs/dbraw/zinc/94/29/97/1099942997.db2.gz HBHFTERYTREYGO-KRWDZBQOSA-N 0 3 313.397 3.226 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC001237046848 1099943008 /nfs/dbraw/zinc/94/30/08/1099943008.db2.gz HBHFTERYTREYGO-KRWDZBQOSA-N 0 3 313.397 3.226 20 10 DGCDHN CC(C)C(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237052910 1099947234 /nfs/dbraw/zinc/94/72/34/1099947234.db2.gz FFUQNVXZSOOWDW-UHFFFAOYSA-N 0 3 318.461 3.252 20 10 DGCDHN C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138188 1099988485 /nfs/dbraw/zinc/98/84/85/1099988485.db2.gz VPUPURRYETYKQC-MNOVXSKESA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138188 1099988496 /nfs/dbraw/zinc/98/84/96/1099988496.db2.gz VPUPURRYETYKQC-MNOVXSKESA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@]1(C)O ZINC001237138076 1099989355 /nfs/dbraw/zinc/98/93/55/1099989355.db2.gz SVVIURHNAHPDLL-YGRLFVJLSA-N 0 3 303.324 3.004 20 10 DGCDHN C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@]1(C)O ZINC001237138076 1099989364 /nfs/dbraw/zinc/98/93/64/1099989364.db2.gz SVVIURHNAHPDLL-YGRLFVJLSA-N 0 3 303.324 3.004 20 10 DGCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237485362 1100139457 /nfs/dbraw/zinc/13/94/57/1100139457.db2.gz HRYCTIWYYLSGOU-LPHOPBHVSA-N 0 3 319.445 3.108 20 10 DGCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237485362 1100139462 /nfs/dbraw/zinc/13/94/62/1100139462.db2.gz HRYCTIWYYLSGOU-LPHOPBHVSA-N 0 3 319.445 3.108 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001237484569 1100139793 /nfs/dbraw/zinc/13/97/93/1100139793.db2.gz FYUXUBDOFISDSM-SWLSCSKDSA-N 0 3 317.351 3.226 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001237484569 1100139798 /nfs/dbraw/zinc/13/97/98/1100139798.db2.gz FYUXUBDOFISDSM-SWLSCSKDSA-N 0 3 317.351 3.226 20 10 DGCDHN C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@@H]1O ZINC001237641123 1100199510 /nfs/dbraw/zinc/19/95/10/1100199510.db2.gz MKPLGOSNVBCWTB-YJYMSZOUSA-N 0 3 315.388 3.401 20 10 DGCDHN C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@@H]1O ZINC001237641123 1100199512 /nfs/dbraw/zinc/19/95/12/1100199512.db2.gz MKPLGOSNVBCWTB-YJYMSZOUSA-N 0 3 315.388 3.401 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Br ZINC001237681196 1100211749 /nfs/dbraw/zinc/21/17/49/1100211749.db2.gz IMMRPDGFQGQBPK-GAFUQQFSSA-N 0 3 314.198 3.395 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Br ZINC001237681196 1100211754 /nfs/dbraw/zinc/21/17/54/1100211754.db2.gz IMMRPDGFQGQBPK-GAFUQQFSSA-N 0 3 314.198 3.395 20 10 DGCDHN CCC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237687510 1100214946 /nfs/dbraw/zinc/21/49/46/1100214946.db2.gz FJPMUJZSQSEFQV-UHFFFAOYSA-N 0 3 324.852 3.187 20 10 DGCDHN CN(Cc1cccc(-c2ccccn2)n1)Cc1ccccc1O ZINC001237838833 1100265313 /nfs/dbraw/zinc/26/53/13/1100265313.db2.gz UNLNHYPSDUCBQI-UHFFFAOYSA-N 0 3 305.381 3.481 20 10 DGCDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC001195113834 1101073452 /nfs/dbraw/zinc/07/34/52/1101073452.db2.gz PUYZXAMXFGSRSJ-SFHVURJKSA-N 0 3 323.484 3.459 20 10 DGCDHN CO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)C1CCCC1 ZINC001203241571 1101452603 /nfs/dbraw/zinc/45/26/03/1101452603.db2.gz AVJOVXHXLMXHEA-KRWDZBQOSA-N 0 3 312.404 3.326 20 10 DGCDHN CN(C)c1ccc(CN2CCC(Oc3cccnc3)CC2)cc1 ZINC001203933594 1102119380 /nfs/dbraw/zinc/11/93/80/1102119380.db2.gz BENWUWRAVKSOPC-UHFFFAOYSA-N 0 3 311.429 3.191 20 10 DGCDHN CCN(CC)c1ccc(CN2CC(N3CCCCC3)C2)cc1 ZINC001203942402 1102214762 /nfs/dbraw/zinc/21/47/62/1102214762.db2.gz PEQWIWUFVQUXAQ-UHFFFAOYSA-N 0 3 301.478 3.203 20 10 DGCDHN C[C@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CCCO1 ZINC001249223778 1105249837 /nfs/dbraw/zinc/24/98/37/1105249837.db2.gz MFOXSMTZTODPOF-ZDUSSCGKSA-N 0 3 303.402 3.187 20 10 DGCDHN C[C@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CCCO1 ZINC001249223778 1105249841 /nfs/dbraw/zinc/24/98/41/1105249841.db2.gz MFOXSMTZTODPOF-ZDUSSCGKSA-N 0 3 303.402 3.187 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c([O-])c1 ZINC001254184014 1106030625 /nfs/dbraw/zinc/03/06/25/1106030625.db2.gz IHPBKCHLLFKLBO-LBPRGKRZSA-N 0 3 309.406 3.001 20 10 DGCDHN C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cccc([O-])c2C1 ZINC001254564295 1106105192 /nfs/dbraw/zinc/10/51/92/1106105192.db2.gz KDCXWEFNMUSTQX-CYBMUJFWSA-N 0 3 312.369 3.290 20 10 DGCDHN C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2cccc([O-])c2C1 ZINC001254564295 1106105193 /nfs/dbraw/zinc/10/51/93/1106105193.db2.gz KDCXWEFNMUSTQX-CYBMUJFWSA-N 0 3 312.369 3.290 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001321079050 1107242657 /nfs/dbraw/zinc/24/26/57/1107242657.db2.gz BZYMYSPFAKNYFW-FQEVSTJZSA-N 0 3 309.409 3.406 20 10 DGCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001321079050 1107242669 /nfs/dbraw/zinc/24/26/69/1107242669.db2.gz BZYMYSPFAKNYFW-FQEVSTJZSA-N 0 3 309.409 3.406 20 10 DGCDHN CCCN1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001321386465 1107339276 /nfs/dbraw/zinc/33/92/76/1107339276.db2.gz DYJWLKSEKAMYDH-YJBOKZPZSA-N 0 3 317.477 3.194 20 10 DGCDHN Cc1noc2ncc(CN[C@@H](C)c3ccc(N(C)C)cc3)cc12 ZINC001262188424 1107643064 /nfs/dbraw/zinc/64/30/64/1107643064.db2.gz QHURPQMMIVIMDR-LBPRGKRZSA-N 0 3 310.401 3.448 20 10 DGCDHN CCCCN(Cc1c(C)cnn1COC)Cc1ccccc1O ZINC001262370613 1107699825 /nfs/dbraw/zinc/69/98/25/1107699825.db2.gz MZOAWLSPSJFOOA-UHFFFAOYSA-N 0 3 317.433 3.303 20 10 DGCDHN CCC[N@H+](Cc1cc(C(=O)OC)c(C)[nH]1)Cc1ccccc1[O-] ZINC001308618233 1111452125 /nfs/dbraw/zinc/45/21/25/1111452125.db2.gz UVVPLMSZQXSUSK-UHFFFAOYSA-N 0 3 316.401 3.228 20 10 DGCDHN CCC[N@@H+](Cc1cc(C(=O)OC)c(C)[nH]1)Cc1ccccc1[O-] ZINC001308618233 1111452126 /nfs/dbraw/zinc/45/21/26/1111452126.db2.gz UVVPLMSZQXSUSK-UHFFFAOYSA-N 0 3 316.401 3.228 20 10 DGCDHN Cc1ccc(O)c(CN2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000179483332 432060558 /nfs/dbraw/zinc/06/05/58/432060558.db2.gz OHQWYMAESXTZKN-UHFFFAOYSA-N 0 3 324.424 3.049 20 10 DGCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000179552808 432061739 /nfs/dbraw/zinc/06/17/39/432061739.db2.gz JNUHOAUEGCVGHM-QGZVFWFLSA-N 0 3 313.397 3.279 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000179552808 432061741 /nfs/dbraw/zinc/06/17/41/432061741.db2.gz JNUHOAUEGCVGHM-QGZVFWFLSA-N 0 3 313.397 3.279 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741375 432069542 /nfs/dbraw/zinc/06/95/42/432069542.db2.gz ZXEORONOVQKAMQ-AWEZNQCLSA-N 0 3 320.433 3.047 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741375 432069545 /nfs/dbraw/zinc/06/95/45/432069545.db2.gz ZXEORONOVQKAMQ-AWEZNQCLSA-N 0 3 320.433 3.047 20 10 DGCDHN CCC(CC)[N@H+](CCOC)Cc1cc(OC)c(OC)cc1[O-] ZINC000179740961 432069651 /nfs/dbraw/zinc/06/96/51/432069651.db2.gz AJLRJMNMMNFLFP-UHFFFAOYSA-N 0 3 311.422 3.046 20 10 DGCDHN CCC(CC)[N@@H+](CCOC)Cc1cc(OC)c(OC)cc1[O-] ZINC000179740961 432069654 /nfs/dbraw/zinc/06/96/54/432069654.db2.gz AJLRJMNMMNFLFP-UHFFFAOYSA-N 0 3 311.422 3.046 20 10 DGCDHN C[C@H]([NH2+]CC1CCN(C2CC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000278420782 299286589 /nfs/dbraw/zinc/28/65/89/299286589.db2.gz INWNBUCAHVPLGD-NSHDSACASA-N 0 3 310.388 3.195 20 10 DGCDHN CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OC)c2[O-])C12CCC2 ZINC000092040983 193146371 /nfs/dbraw/zinc/14/63/71/193146371.db2.gz UEIISLANRJOOAC-CVEARBPZSA-N 0 3 305.418 3.180 20 10 DGCDHN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2[O-])C12CCC2 ZINC000092040983 193146373 /nfs/dbraw/zinc/14/63/73/193146373.db2.gz UEIISLANRJOOAC-CVEARBPZSA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1cccc(CN(C)[C@H](CCO)c2ccccc2)c1O ZINC000093442519 193253333 /nfs/dbraw/zinc/25/33/33/193253333.db2.gz HCWSARMTORMMDV-QGZVFWFLSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1cccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1[O-] ZINC000093442519 193253336 /nfs/dbraw/zinc/25/33/36/193253336.db2.gz HCWSARMTORMMDV-QGZVFWFLSA-N 0 3 315.413 3.346 20 10 DGCDHN CCOc1cccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1[O-] ZINC000093442519 193253337 /nfs/dbraw/zinc/25/33/37/193253337.db2.gz HCWSARMTORMMDV-QGZVFWFLSA-N 0 3 315.413 3.346 20 10 DGCDHN C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000183527635 296159743 /nfs/dbraw/zinc/15/97/43/296159743.db2.gz MDGMQPHCMHGIEY-IUODEOHRSA-N 0 3 320.433 3.346 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c([O-])c1C ZINC000273355760 130110825 /nfs/dbraw/zinc/11/08/25/130110825.db2.gz CNMDATWAIXVIRY-RHSMWYFYSA-N 0 3 317.404 3.402 20 10 DGCDHN CCN1CCC([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000273387052 130116253 /nfs/dbraw/zinc/11/62/53/130116253.db2.gz JTQCQEQAWYXPEX-AWEZNQCLSA-N 0 3 302.462 3.406 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1C ZINC000273481230 130126365 /nfs/dbraw/zinc/12/63/65/130126365.db2.gz MEDXDPZRCUYGGQ-KBPBESRZSA-N 0 3 304.434 3.059 20 10 DGCDHN Cc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273574695 130138147 /nfs/dbraw/zinc/13/81/47/130138147.db2.gz LNSOIZWPHKRLDC-CQSZACIVSA-N 0 3 324.424 3.444 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000273703678 130156472 /nfs/dbraw/zinc/15/64/72/130156472.db2.gz DYSQKDMQERFQCJ-HZPDHXFCSA-N 0 3 311.809 3.101 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC2)c1[O-] ZINC000275272375 130300905 /nfs/dbraw/zinc/30/09/05/130300905.db2.gz CFYLEILCWKQULO-WDEREUQCSA-N 0 3 314.223 3.150 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C(C)C)c1[O-] ZINC000275368112 130308476 /nfs/dbraw/zinc/30/84/76/130308476.db2.gz UZQXQBGZTLBYDF-ZWNOBZJWSA-N 0 3 316.239 3.131 20 10 DGCDHN CCCCN(Cc1cc(=O)c(OC)co1)Cc1ccccc1O ZINC000282375266 130917805 /nfs/dbraw/zinc/91/78/05/130917805.db2.gz FOUQVMLTVOSAHP-UHFFFAOYSA-N 0 3 317.385 3.156 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CCc1cscn1)C[C@H]1CCCO1 ZINC000283892747 131031753 /nfs/dbraw/zinc/03/17/53/131031753.db2.gz JCIONJVPEHVSQR-MRXNPFEDSA-N 0 3 318.442 3.072 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CCc1cscn1)C[C@H]1CCCO1 ZINC000283892747 131031755 /nfs/dbraw/zinc/03/17/55/131031755.db2.gz JCIONJVPEHVSQR-MRXNPFEDSA-N 0 3 318.442 3.072 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000284975052 131127622 /nfs/dbraw/zinc/12/76/22/131127622.db2.gz FWEVTFBMXSXRGN-YOEHRIQHSA-N 0 3 317.404 3.402 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000285017850 131132176 /nfs/dbraw/zinc/13/21/76/131132176.db2.gz HJBHHYGLIVKLCR-OAHLLOKOSA-N 0 3 322.412 3.441 20 10 DGCDHN CN(C)c1ccc(CN2CCC3(CCOCC3)CC2)cc1F ZINC000285207448 131147376 /nfs/dbraw/zinc/14/73/76/131147376.db2.gz RDLWFPHTKRKOIZ-UHFFFAOYSA-N 0 3 306.425 3.284 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCc2cccc(C)n2)c1 ZINC000287502886 131283419 /nfs/dbraw/zinc/28/34/19/131283419.db2.gz NUMKIVZCNRBOAC-CQSZACIVSA-N 0 3 300.402 3.388 20 10 DGCDHN CCN(Cc1ccncc1)Cc1cc(Cl)cc(OC)c1O ZINC000289143809 131361784 /nfs/dbraw/zinc/36/17/84/131361784.db2.gz ANHMANPAQWKQQN-UHFFFAOYSA-N 0 3 306.793 3.471 20 10 DGCDHN COC(=O)Nc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297376868 132012934 /nfs/dbraw/zinc/01/29/34/132012934.db2.gz QTTZNOJTXQVWLR-HNNXBMFYSA-N 0 3 312.369 3.348 20 10 DGCDHN Cc1cc2ncc([C@H](C)NCc3ccc(N(C)C)cc3)c(C)n2n1 ZINC000120568166 132149041 /nfs/dbraw/zinc/14/90/41/132149041.db2.gz OHEFYUOJSMRZOT-AWEZNQCLSA-N 0 3 323.444 3.263 20 10 DGCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000091958845 400141892 /nfs/dbraw/zinc/14/18/92/400141892.db2.gz UMKXDXHEYUTGEC-WBVHZDCISA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000091958845 400141898 /nfs/dbraw/zinc/14/18/98/400141898.db2.gz UMKXDXHEYUTGEC-WBVHZDCISA-N 0 3 301.386 3.382 20 10 DGCDHN CCCN(CC(=O)NC)Cc1cc(-c2ccccc2)ccc1O ZINC000092381620 400169473 /nfs/dbraw/zinc/16/94/73/400169473.db2.gz AOOKKGAMQAWRHI-UHFFFAOYSA-N 0 3 312.413 3.017 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c([O-])c1C ZINC000297390234 227104466 /nfs/dbraw/zinc/10/44/66/227104466.db2.gz RSTQKNYNZOGKHM-YOEHRIQHSA-N 0 3 317.404 3.402 20 10 DGCDHN Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000179623495 228352864 /nfs/dbraw/zinc/35/28/64/228352864.db2.gz RJOSOQZTFWJVTL-INIZCTEOSA-N 0 3 322.412 3.123 20 10 DGCDHN Cc1cccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000179623495 228352865 /nfs/dbraw/zinc/35/28/65/228352865.db2.gz RJOSOQZTFWJVTL-INIZCTEOSA-N 0 3 322.412 3.123 20 10 DGCDHN COc1ccc(O)c(CN[C@H]2CCOc3c(F)cccc32)c1 ZINC000089726533 274114595 /nfs/dbraw/zinc/11/45/95/274114595.db2.gz FKLNZBCSFJTDGT-HNNXBMFYSA-N 0 3 303.333 3.153 20 10 DGCDHN CN(C)c1ccc(CN[C@H]2CCc3c2cccc3O)cc1F ZINC000113337304 276884057 /nfs/dbraw/zinc/88/40/57/276884057.db2.gz SRNNSKIQTJTFDT-INIZCTEOSA-N 0 3 300.377 3.374 20 10 DGCDHN COc1cccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1[O-] ZINC000192377780 278012374 /nfs/dbraw/zinc/01/23/74/278012374.db2.gz LISYHYMOYAJWBD-LPHOPBHVSA-N 0 3 313.397 3.268 20 10 DGCDHN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])OCCc2sccc21 ZINC000291528375 280157371 /nfs/dbraw/zinc/15/73/71/280157371.db2.gz JVAIGNDHANISEA-MRXNPFEDSA-N 0 3 307.390 3.171 20 10 DGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000021048340 431627873 /nfs/dbraw/zinc/62/78/73/431627873.db2.gz WYLYIYKSJUIFGF-CQSZACIVSA-N 0 3 302.443 3.436 20 10 DGCDHN Cc1ccc([O-])c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000093842424 431917989 /nfs/dbraw/zinc/91/79/89/431917989.db2.gz KKEBCKBJELMLPU-SFHVURJKSA-N 0 3 319.445 3.251 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1[O-] ZINC000364345481 280972148 /nfs/dbraw/zinc/97/21/48/280972148.db2.gz DCXLYIHURGBLGO-OKZBNKHCSA-N 0 3 318.461 3.076 20 10 DGCDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1[O-] ZINC000270676036 432275095 /nfs/dbraw/zinc/27/50/95/432275095.db2.gz RNSJCRSJBMWSEW-GOEBONIOSA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccccc1[O-] ZINC000183415437 432291942 /nfs/dbraw/zinc/29/19/42/432291942.db2.gz OFQZGUWRGVNBGI-OAHLLOKOSA-N 0 3 324.424 3.365 20 10 DGCDHN C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccccc1[O-] ZINC000183417694 432292428 /nfs/dbraw/zinc/29/24/28/432292428.db2.gz NERFMRXFNMYSPZ-AWEZNQCLSA-N 0 3 310.397 3.370 20 10 DGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000183454580 432295092 /nfs/dbraw/zinc/29/50/92/432295092.db2.gz MEMRDQCVXLRMMR-CHWSQXEVSA-N 0 3 319.426 3.208 20 10 DGCDHN COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183568995 432303964 /nfs/dbraw/zinc/30/39/64/432303964.db2.gz SRWVAQSFTSHIFW-SUMWQHHRSA-N 0 3 301.386 3.175 20 10 DGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000270606062 432264445 /nfs/dbraw/zinc/26/44/45/432264445.db2.gz BRSAUIUNORJHCH-RHSMWYFYSA-N 0 3 307.434 3.474 20 10 DGCDHN CCOc1cccc(CN(C)Cc2cccc(OC)c2)c1O ZINC000271032083 432318128 /nfs/dbraw/zinc/31/81/28/432318128.db2.gz ZKNBQRWUHBMRHX-UHFFFAOYSA-N 0 3 301.386 3.432 20 10 DGCDHN C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000183599531 432307409 /nfs/dbraw/zinc/30/74/09/432307409.db2.gz DOAHSWWMIBFGDF-CYBMUJFWSA-N 0 3 316.376 3.002 20 10 DGCDHN COc1cccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)c1[O-] ZINC000271331565 432376425 /nfs/dbraw/zinc/37/64/25/432376425.db2.gz FQGDJBSWUDWAKD-KPZWWZAWSA-N 0 3 319.376 3.406 20 10 DGCDHN C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271411570 432391091 /nfs/dbraw/zinc/39/10/91/432391091.db2.gz AFWCSECCLURPDX-UGSOOPFHSA-N 0 3 302.393 3.276 20 10 DGCDHN C[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000271411568 432391472 /nfs/dbraw/zinc/39/14/72/432391472.db2.gz AFWCSECCLURPDX-SCLBCKFNSA-N 0 3 302.393 3.276 20 10 DGCDHN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1n1ccnc1 ZINC000271265729 432364913 /nfs/dbraw/zinc/36/49/13/432364913.db2.gz LTOQGRRFMNFXFV-KDOFPFPSSA-N 0 3 316.424 3.171 20 10 DGCDHN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1n1ccnc1 ZINC000271265726 432365164 /nfs/dbraw/zinc/36/51/64/432365164.db2.gz LTOQGRRFMNFXFV-KBXCAEBGSA-N 0 3 316.424 3.171 20 10 DGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCCCO)c1[O-] ZINC000192925071 432429311 /nfs/dbraw/zinc/42/93/11/432429311.db2.gz PIGIDTAOQCHKIG-LLVKDONJSA-N 0 3 316.239 3.276 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1[O-] ZINC000192927392 432431118 /nfs/dbraw/zinc/43/11/18/432431118.db2.gz HVTZQUXOSHRFJN-CQSZACIVSA-N 0 3 310.397 3.370 20 10 DGCDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1[O-] ZINC000271952683 432432004 /nfs/dbraw/zinc/43/20/04/432432004.db2.gz DUPLMPYMSGRTRC-HZPDHXFCSA-N 0 3 307.434 3.474 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000184862245 432440900 /nfs/dbraw/zinc/44/09/00/432440900.db2.gz PRJBVTZKDXMGRK-ZDUSSCGKSA-N 0 3 324.424 3.221 20 10 DGCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000271768527 432425110 /nfs/dbraw/zinc/42/51/10/432425110.db2.gz AZOFSYHUIPOGSZ-HNNXBMFYSA-N 0 3 305.418 3.372 20 10 DGCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185206505 432477168 /nfs/dbraw/zinc/47/71/68/432477168.db2.gz JIRXXPYDRIDXPU-ZNMIVQPWSA-N 0 3 324.440 3.071 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1[O-] ZINC000193504241 432478242 /nfs/dbraw/zinc/47/82/42/432478242.db2.gz BQVGLWQCVIKKPR-JSGCOSHPSA-N 0 3 316.367 3.317 20 10 DGCDHN CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185215443 432479210 /nfs/dbraw/zinc/47/92/10/432479210.db2.gz UUPGXOPUTBSEOK-CYBMUJFWSA-N 0 3 322.424 3.219 20 10 DGCDHN COCCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCCCC1 ZINC000185225083 432480040 /nfs/dbraw/zinc/48/00/40/432480040.db2.gz XLAVZDHGEDUJAV-UHFFFAOYSA-N 0 3 321.417 3.198 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000185291489 432487042 /nfs/dbraw/zinc/48/70/42/432487042.db2.gz OXZRJDPAWXTCBX-GFCCVEGCSA-N 0 3 316.367 3.378 20 10 DGCDHN CCc1nc(CC[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cs1 ZINC000185310722 432488517 /nfs/dbraw/zinc/48/85/17/432488517.db2.gz MRUHBSIFSMWYHX-NSHDSACASA-N 0 3 306.431 3.313 20 10 DGCDHN CCc1nc(CC[NH2+][C@H](C)c2cc(OC)ccc2[O-])cs1 ZINC000185310741 432489696 /nfs/dbraw/zinc/48/96/96/432489696.db2.gz MRUHBSIFSMWYHX-LLVKDONJSA-N 0 3 306.431 3.313 20 10 DGCDHN COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185419594 432498585 /nfs/dbraw/zinc/49/85/85/432498585.db2.gz PIFMQCNOBZFKFB-FZKQIMNGSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185419611 432499412 /nfs/dbraw/zinc/49/94/12/432499412.db2.gz PIFMQCNOBZFKFB-SCLBCKFNSA-N 0 3 301.386 3.093 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000185529026 432508566 /nfs/dbraw/zinc/50/85/66/432508566.db2.gz PYILAMGWWRESSV-BDJLRTHQSA-N 0 3 307.415 3.021 20 10 DGCDHN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])cn1 ZINC000185084159 432463761 /nfs/dbraw/zinc/46/37/61/432463761.db2.gz LBLCQZVKUQOQHI-AWEZNQCLSA-N 0 3 322.412 3.441 20 10 DGCDHN CCCOc1ncccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000185143228 432470644 /nfs/dbraw/zinc/47/06/44/432470644.db2.gz NOBMFHMDUALVAO-CYBMUJFWSA-N 0 3 316.401 3.435 20 10 DGCDHN CCNC(=O)c1cccc(C[NH2+][C@H](CC)c2ccccc2[O-])c1 ZINC000155358121 432551108 /nfs/dbraw/zinc/55/11/08/432551108.db2.gz VDSCRFRRBJUZGW-QGZVFWFLSA-N 0 3 312.413 3.383 20 10 DGCDHN CC[C@H]([NH2+]C1CCN(C(=O)CC(C)C)CC1)c1ccccc1[O-] ZINC000155418528 432554073 /nfs/dbraw/zinc/55/40/73/432554073.db2.gz KSXSBZFVHBZYSA-KRWDZBQOSA-N 0 3 318.461 3.470 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOc2ncccc2Cl)c1 ZINC000186107069 432559607 /nfs/dbraw/zinc/55/96/07/432559607.db2.gz IMGYEBZSFDMZRM-NSHDSACASA-N 0 3 322.792 3.179 20 10 DGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)cc(OC)c2)c1 ZINC000186216656 432570151 /nfs/dbraw/zinc/57/01/51/432570151.db2.gz XRWIHVDYWNTHSG-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(C)C)C1=O ZINC000177027145 432575324 /nfs/dbraw/zinc/57/53/24/432575324.db2.gz SWEYVQHCXWGGOT-MRXNPFEDSA-N 0 3 304.434 3.004 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(C)C)C1=O ZINC000177027145 432575327 /nfs/dbraw/zinc/57/53/27/432575327.db2.gz SWEYVQHCXWGGOT-MRXNPFEDSA-N 0 3 304.434 3.004 20 10 DGCDHN C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1[O-] ZINC000273460966 432600308 /nfs/dbraw/zinc/60/03/08/432600308.db2.gz CSGYXNRULUVTMA-NSHDSACASA-N 0 3 304.321 3.333 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CCCN(c3nccs3)CC2)cc1C ZINC000195089103 432602000 /nfs/dbraw/zinc/60/20/00/432602000.db2.gz FOCRMWHZDZPJEB-UHFFFAOYSA-N 0 3 317.458 3.178 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CCCN(c3nccs3)CC2)cc1C ZINC000195089103 432602003 /nfs/dbraw/zinc/60/20/03/432602003.db2.gz FOCRMWHZDZPJEB-UHFFFAOYSA-N 0 3 317.458 3.178 20 10 DGCDHN COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1[O-] ZINC000273706741 432629312 /nfs/dbraw/zinc/62/93/12/432629312.db2.gz FHLPFJGBHYKCEP-HNNXBMFYSA-N 0 3 324.852 3.114 20 10 DGCDHN CCN(C)C(=O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000186822755 432632233 /nfs/dbraw/zinc/63/22/33/432632233.db2.gz XKFHFWSSKYVCOT-MRXNPFEDSA-N 0 3 317.477 3.196 20 10 DGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCn2ccnc2)c1[O-] ZINC000186926785 432637849 /nfs/dbraw/zinc/63/78/49/432637849.db2.gz IBWBBUYQEMNUBH-NSHDSACASA-N 0 3 324.222 3.010 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000227684617 432714224 /nfs/dbraw/zinc/71/42/24/432714224.db2.gz UWIZBLKDBCXMJW-OLZOCXBDSA-N 0 3 308.422 3.264 20 10 DGCDHN Cc1ccc(O)c(CN[C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276164490 432778416 /nfs/dbraw/zinc/77/84/16/432778416.db2.gz HMWUTNSIXXCFGA-KRWDZBQOSA-N 0 3 316.445 3.114 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276164490 432778418 /nfs/dbraw/zinc/77/84/18/432778418.db2.gz HMWUTNSIXXCFGA-KRWDZBQOSA-N 0 3 316.445 3.114 20 10 DGCDHN CO[C@H](C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000276981552 432828038 /nfs/dbraw/zinc/82/80/38/432828038.db2.gz WAJSFKAUMJJHSZ-NXEZZACHSA-N 0 3 302.212 3.149 20 10 DGCDHN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000277223582 432831522 /nfs/dbraw/zinc/83/15/22/432831522.db2.gz LMUYZDXPLXFUND-QJPTWQEYSA-N 0 3 318.421 3.444 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000278427055 432895788 /nfs/dbraw/zinc/89/57/88/432895788.db2.gz JCIJOCOGBKZMFX-DZGCQCFKSA-N 0 3 304.434 3.068 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000278427063 432896020 /nfs/dbraw/zinc/89/60/20/432896020.db2.gz JCIJOCOGBKZMFX-UKRRQHHQSA-N 0 3 304.434 3.068 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)CC2 ZINC000296240661 432887352 /nfs/dbraw/zinc/88/73/52/432887352.db2.gz ATCKIEUGYGVTPQ-ZBFHGGJFSA-N 0 3 303.789 3.356 20 10 DGCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278302150 432890888 /nfs/dbraw/zinc/89/08/88/432890888.db2.gz AAUYYZBSGCJJCS-INIZCTEOSA-N 0 3 309.768 3.316 20 10 DGCDHN CC[C@H](C)c1nc([C@H](C)NCc2cc(C)c(C)cc2O)n[nH]1 ZINC000277469712 432852993 /nfs/dbraw/zinc/85/29/93/432852993.db2.gz RJIOPGFPZOLFKN-GWCFXTLKSA-N 0 3 302.422 3.491 20 10 DGCDHN COc1ccc(COCC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296822934 432929520 /nfs/dbraw/zinc/92/95/20/432929520.db2.gz MFRSRMUIIBZOKF-QGZVFWFLSA-N 0 3 313.397 3.195 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)CC2 ZINC000297028271 432950488 /nfs/dbraw/zinc/95/04/88/432950488.db2.gz UQHWBLGCCOCYDT-CPUCHLNUSA-N 0 3 305.443 3.024 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000289243210 432937317 /nfs/dbraw/zinc/93/73/17/432937317.db2.gz DTZSPRUOOBQYOT-QYZOEREBSA-N 0 3 309.409 3.397 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000289243210 432937320 /nfs/dbraw/zinc/93/73/20/432937320.db2.gz DTZSPRUOOBQYOT-QYZOEREBSA-N 0 3 309.409 3.397 20 10 DGCDHN CC[C@@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1ccc(C)cc1[O-] ZINC000296537920 432920707 /nfs/dbraw/zinc/92/07/07/432920707.db2.gz QUVLYPJSXSJCDI-WBVHZDCISA-N 0 3 306.450 3.244 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c([O-])c1 ZINC000297216086 432976095 /nfs/dbraw/zinc/97/60/95/432976095.db2.gz GZVCBKSSCUFABA-YOEHRIQHSA-N 0 3 317.404 3.402 20 10 DGCDHN Cc1nnc(CC[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)s1 ZINC000289938404 432978526 /nfs/dbraw/zinc/97/85/26/432978526.db2.gz VUZBIUQLUKBWNR-LLVKDONJSA-N 0 3 317.458 3.324 20 10 DGCDHN CC[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(C)cc1[O-] ZINC000280024241 432999822 /nfs/dbraw/zinc/99/98/22/432999822.db2.gz HOZMGSNMHNNXIJ-INIZCTEOSA-N 0 3 318.461 3.390 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(C)cc1[O-] ZINC000280113117 433001493 /nfs/dbraw/zinc/00/14/93/433001493.db2.gz NSKRAFFMCPHDML-ZBFHGGJFSA-N 0 3 305.418 3.427 20 10 DGCDHN CC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(C)cc1[O-] ZINC000280083114 433001717 /nfs/dbraw/zinc/00/17/17/433001717.db2.gz LWBLCKUDWDKLOD-OAHLLOKOSA-N 0 3 317.458 3.286 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000280487440 433060545 /nfs/dbraw/zinc/06/05/45/433060545.db2.gz ONCJRFICLFRQMY-BXUZGUMPSA-N 0 3 313.825 3.180 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000280487440 433060548 /nfs/dbraw/zinc/06/05/48/433060548.db2.gz ONCJRFICLFRQMY-BXUZGUMPSA-N 0 3 313.825 3.180 20 10 DGCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1C[C@H](c3cccc(F)c3)C1)OCO2 ZINC000280626419 433115924 /nfs/dbraw/zinc/11/59/24/433115924.db2.gz LOUHGIQFPRUXOY-NNUKFRKNSA-N 0 3 315.344 3.296 20 10 DGCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1C ZINC000291185426 433228701 /nfs/dbraw/zinc/22/87/01/433228701.db2.gz FZTFUMBZENSKMN-FQEVSTJZSA-N 0 3 311.425 3.145 20 10 DGCDHN Cc1cc([O-])c(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1C ZINC000291185426 433228708 /nfs/dbraw/zinc/22/87/08/433228708.db2.gz FZTFUMBZENSKMN-FQEVSTJZSA-N 0 3 311.425 3.145 20 10 DGCDHN c1cnn([C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC000291365112 433234452 /nfs/dbraw/zinc/23/44/52/433234452.db2.gz YTRBKZALIAPNHB-IBGZPJMESA-N 0 3 310.445 3.320 20 10 DGCDHN Cc1cccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000281133943 433264434 /nfs/dbraw/zinc/26/44/34/433264434.db2.gz NSALAJOHZOBCNA-QGZVFWFLSA-N 0 3 324.424 3.186 20 10 DGCDHN Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000281133943 433264447 /nfs/dbraw/zinc/26/44/47/433264447.db2.gz NSALAJOHZOBCNA-QGZVFWFLSA-N 0 3 324.424 3.186 20 10 DGCDHN COc1cc(O)c(CN2CC3(CCC3)[C@H]2C2CC2)cc1OC ZINC000291561466 433270941 /nfs/dbraw/zinc/27/09/41/433270941.db2.gz NDMCKEGKBOXPKE-QGZVFWFLSA-N 0 3 303.402 3.174 20 10 DGCDHN COc1cc([O-])c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cc1OC ZINC000291561466 433270948 /nfs/dbraw/zinc/27/09/48/433270948.db2.gz NDMCKEGKBOXPKE-QGZVFWFLSA-N 0 3 303.402 3.174 20 10 DGCDHN COc1cc([O-])c(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1OC ZINC000291561466 433270959 /nfs/dbraw/zinc/27/09/59/433270959.db2.gz NDMCKEGKBOXPKE-QGZVFWFLSA-N 0 3 303.402 3.174 20 10 DGCDHN Cc1cc(C[NH2+]Cc2cc(F)ccc2[O-])cc(N2CCCC2)n1 ZINC000291606907 433284555 /nfs/dbraw/zinc/28/45/55/433284555.db2.gz QSWAOWSNXCXXHV-UHFFFAOYSA-N 0 3 315.392 3.125 20 10 DGCDHN COc1cccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1[O-] ZINC000291765097 433342028 /nfs/dbraw/zinc/34/20/28/433342028.db2.gz SASOBJFOAYFEKM-PIGZYNQJSA-N 0 3 319.426 3.254 20 10 DGCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1[O-] ZINC000282827850 433629907 /nfs/dbraw/zinc/62/99/07/433629907.db2.gz BLSNGBYBJQDMJF-AWEZNQCLSA-N 0 3 305.809 3.255 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000293587696 433794763 /nfs/dbraw/zinc/79/47/63/433794763.db2.gz FFXQICPYGLTUBB-ZDUSSCGKSA-N 0 3 308.422 3.184 20 10 DGCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c([O-])c1 ZINC000293630675 433807130 /nfs/dbraw/zinc/80/71/30/433807130.db2.gz HNORCKDQGKGDFM-CVEARBPZSA-N 0 3 307.434 3.245 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(C)cc1[O-] ZINC000377580357 433918052 /nfs/dbraw/zinc/91/80/52/433918052.db2.gz BPLNGMKORGTFRJ-FCEWJHQRSA-N 0 3 313.397 3.236 20 10 DGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000377834123 434013633 /nfs/dbraw/zinc/01/36/33/434013633.db2.gz JEKZWTZMFQFTOX-HZPDHXFCSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000377834123 434013640 /nfs/dbraw/zinc/01/36/40/434013640.db2.gz JEKZWTZMFQFTOX-HZPDHXFCSA-N 0 3 319.445 3.430 20 10 DGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000285609392 434014847 /nfs/dbraw/zinc/01/48/47/434014847.db2.gz JAXHVWATHKHQTA-LLVKDONJSA-N 0 3 324.222 3.010 20 10 DGCDHN Cc1cnccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294502053 434117240 /nfs/dbraw/zinc/11/72/40/434117240.db2.gz BJYPJLQFGAHROJ-SFHVURJKSA-N 0 3 312.413 3.277 20 10 DGCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c([O-])c1 ZINC000294786304 434144188 /nfs/dbraw/zinc/14/41/88/434144188.db2.gz OBHXNXZNSAMBCB-WMLDXEAASA-N 0 3 308.491 3.097 20 10 DGCDHN Cc1cc(O)c(CN(Cc2cccc(C(N)=O)c2)C2CC2)cc1C ZINC000294895344 434148981 /nfs/dbraw/zinc/14/89/81/434148981.db2.gz WUIQMTUPRCUXSF-UHFFFAOYSA-N 0 3 324.424 3.273 20 10 DGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)c2ccccn2)c1 ZINC000294923856 434154803 /nfs/dbraw/zinc/15/48/03/434154803.db2.gz YYGPXVUEISZGMD-ZDUSSCGKSA-N 0 3 300.402 3.424 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1[O-] ZINC000364345479 434268532 /nfs/dbraw/zinc/26/85/32/434268532.db2.gz DCXLYIHURGBLGO-BZSNNMDCSA-N 0 3 318.461 3.076 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000295867334 434441114 /nfs/dbraw/zinc/44/11/14/434441114.db2.gz GYAXHPNXZIROKE-MSOLQXFVSA-N 0 3 308.425 3.244 20 10 DGCDHN COc1cc(Cl)cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1[O-] ZINC000368624037 434580909 /nfs/dbraw/zinc/58/09/09/434580909.db2.gz KTXOMHKFMCGBPH-OAHLLOKOSA-N 0 3 324.852 3.114 20 10 DGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c1 ZINC000371426694 434701593 /nfs/dbraw/zinc/70/15/93/434701593.db2.gz YUUANIZCFRSIBS-AWEZNQCLSA-N 0 3 313.397 3.399 20 10 DGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c1 ZINC000371426694 434701595 /nfs/dbraw/zinc/70/15/95/434701595.db2.gz YUUANIZCFRSIBS-AWEZNQCLSA-N 0 3 313.397 3.399 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)c([O-])c1C ZINC000290490641 301788528 /nfs/dbraw/zinc/78/85/28/301788528.db2.gz XTTPYHWLMVXZOC-IYJAJMOOSA-N 0 3 313.397 3.154 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000272329490 334032814 /nfs/dbraw/zinc/03/28/14/334032814.db2.gz WBOSAAUJRTUZBF-IBGZPJMESA-N 0 3 315.388 3.477 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC3(CC2)OCCCO3)cc1 ZINC000293705355 334201266 /nfs/dbraw/zinc/20/12/66/334201266.db2.gz RYRHIGXWFKIVMR-UHFFFAOYSA-N 0 3 318.461 3.262 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c1 ZINC000185750841 534203931 /nfs/dbraw/zinc/20/39/31/534203931.db2.gz GSKDCHHJHCTYBV-LLVKDONJSA-N 0 3 306.793 3.343 20 10 DGCDHN CCCNC(=O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000158351422 519880878 /nfs/dbraw/zinc/88/08/78/519880878.db2.gz XAYGFBTXXSRDLO-MRXNPFEDSA-N 0 3 317.477 3.244 20 10 DGCDHN CCN(C)c1ccc([C@@H](C)NC[C@@H](O)c2ccc(C)o2)cc1 ZINC000268997168 520284800 /nfs/dbraw/zinc/28/48/00/520284800.db2.gz OBDBBVZWHVLOGP-RHSMWYFYSA-N 0 3 302.418 3.428 20 10 DGCDHN CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179948032 520369979 /nfs/dbraw/zinc/36/99/79/520369979.db2.gz FYBVEUMQAPGMCD-UHFFFAOYSA-N 0 3 322.424 3.002 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179938296 521050906 /nfs/dbraw/zinc/05/09/06/521050906.db2.gz MZJLKAXHTZRSFD-DOTOQJQBSA-N 0 3 318.461 3.217 20 10 DGCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179938296 521050912 /nfs/dbraw/zinc/05/09/12/521050912.db2.gz MZJLKAXHTZRSFD-DOTOQJQBSA-N 0 3 318.461 3.217 20 10 DGCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000266341616 522657293 /nfs/dbraw/zinc/65/72/93/522657293.db2.gz YLKVZFIGERBHIO-WMLDXEAASA-N 0 3 307.340 3.272 20 10 DGCDHN CC[C@@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000227683652 522933566 /nfs/dbraw/zinc/93/35/66/522933566.db2.gz JNFLENOORQVLII-TZMCWYRMSA-N 0 3 308.422 3.346 20 10 DGCDHN C[N@@H+](Cc1ccccc1[O-])CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160540445 523384939 /nfs/dbraw/zinc/38/49/39/523384939.db2.gz BBRUIHGTADVWPQ-UHFFFAOYSA-N 0 3 318.461 3.109 20 10 DGCDHN C[N@H+](Cc1ccccc1[O-])CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160540445 523384947 /nfs/dbraw/zinc/38/49/47/523384947.db2.gz BBRUIHGTADVWPQ-UHFFFAOYSA-N 0 3 318.461 3.109 20 10 DGCDHN Cc1cccc(C[NH2+]CCCc2nc3ccccc3n2C)c1[O-] ZINC000181346565 524433135 /nfs/dbraw/zinc/43/31/35/524433135.db2.gz UVDFLIRFWVNELW-UHFFFAOYSA-N 0 3 309.413 3.310 20 10 DGCDHN COc1ccccc1C[C@H](C)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000156041155 524508401 /nfs/dbraw/zinc/50/84/01/524508401.db2.gz LWHWVBQDHMIGEF-AWEZNQCLSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000156041155 524508404 /nfs/dbraw/zinc/50/84/04/524508404.db2.gz LWHWVBQDHMIGEF-AWEZNQCLSA-N 0 3 315.413 3.472 20 10 DGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000182410377 524763106 /nfs/dbraw/zinc/76/31/06/524763106.db2.gz YQIGUIKVXOLDKE-PIGZYNQJSA-N 0 3 321.804 3.438 20 10 DGCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)ccc2OC)c1 ZINC000182409365 524772753 /nfs/dbraw/zinc/77/27/53/524772753.db2.gz BJNGWGIHSWUXLY-NSHDSACASA-N 0 3 305.349 3.399 20 10 DGCDHN C[C@](O)(CNCc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000266133738 525180048 /nfs/dbraw/zinc/18/00/48/525180048.db2.gz DPKNWYOMCLCCCY-IBGZPJMESA-N 0 3 314.429 3.267 20 10 DGCDHN CCO[C@@H]1C[C@@H](NCc2c(C)c3ccccc3n2C)[C@@H]1SC ZINC000459506326 535409477 /nfs/dbraw/zinc/40/94/77/535409477.db2.gz PQSHFBGKJMHIOC-OLMNPRSZSA-N 0 3 318.486 3.485 20 10 DGCDHN CCOc1cccc(C[NH2+]CC[C@H](O)c2ccccc2)c1[O-] ZINC000289467427 535459068 /nfs/dbraw/zinc/45/90/68/535459068.db2.gz PACCNGGHCIFMRQ-INIZCTEOSA-N 0 3 301.386 3.004 20 10 DGCDHN CCOc1cccc(CNCc2ccnc(OC(F)F)c2)c1O ZINC000283808473 535460403 /nfs/dbraw/zinc/46/04/03/535460403.db2.gz BHKZAZFEAJINJT-UHFFFAOYSA-N 0 3 324.327 3.077 20 10 DGCDHN COCc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)ccc1F ZINC000297573415 536716447 /nfs/dbraw/zinc/71/64/47/536716447.db2.gz GUMAWZJVFLMZIB-INIZCTEOSA-N 0 3 301.361 3.455 20 10 DGCDHN COC(=O)c1csc([C@@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000285488004 536855622 /nfs/dbraw/zinc/85/56/22/536855622.db2.gz BXLZEHOCKWGAIW-GFCCVEGCSA-N 0 3 318.442 3.452 20 10 DGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000730807120 574536486 /nfs/dbraw/zinc/53/64/86/574536486.db2.gz NJLQLOSPNIQXIK-MRXNPFEDSA-N 0 3 311.429 3.001 20 10 DGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000730807120 574536488 /nfs/dbraw/zinc/53/64/88/574536488.db2.gz NJLQLOSPNIQXIK-MRXNPFEDSA-N 0 3 311.429 3.001 20 10 DGCDHN CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([O-])cs3)C2)CC1 ZINC000731872882 574560712 /nfs/dbraw/zinc/56/07/12/574560712.db2.gz SXRLFUWBABMQOR-AWEZNQCLSA-N 0 3 322.474 3.038 20 10 DGCDHN O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])NC1CCCC1 ZINC000732230488 574568765 /nfs/dbraw/zinc/56/87/65/574568765.db2.gz IBMJEXSIWMOHHT-UHFFFAOYSA-N 0 3 324.424 3.208 20 10 DGCDHN COC(=O)CCCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000734844155 574678692 /nfs/dbraw/zinc/67/86/92/574678692.db2.gz WPHLDUASNGDTET-UHFFFAOYSA-N 0 3 304.434 3.062 20 10 DGCDHN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000738103938 574859244 /nfs/dbraw/zinc/85/92/44/574859244.db2.gz HVOCOXQWBCMIJY-MRXNPFEDSA-N 0 3 311.429 3.001 20 10 DGCDHN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000738103938 574859245 /nfs/dbraw/zinc/85/92/45/574859245.db2.gz HVOCOXQWBCMIJY-MRXNPFEDSA-N 0 3 311.429 3.001 20 10 DGCDHN CCN(CC)c1ccc(CN(C)CCOC[C@@H]2CCCO2)cc1 ZINC000741244835 574954224 /nfs/dbraw/zinc/95/42/24/574954224.db2.gz KKWQTFBZFZPRJR-IBGZPJMESA-N 0 3 320.477 3.160 20 10 DGCDHN CCN(C)c1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)cc1 ZINC000741754243 574968739 /nfs/dbraw/zinc/96/87/39/574968739.db2.gz MBTDFJJQZYYJCJ-MRXNPFEDSA-N 0 3 314.433 3.214 20 10 DGCDHN CCOc1cccc(C[NH2+]CCCC(=O)OC(C)(C)C)c1[O-] ZINC000744450330 575343743 /nfs/dbraw/zinc/34/37/43/575343743.db2.gz REZXLZYSBSCXDM-UHFFFAOYSA-N 0 3 309.406 3.002 20 10 DGCDHN CCOc1ccc(C[NH2+]C(CC)(CC)CC(=O)OC)c([O-])c1 ZINC000749288192 575642724 /nfs/dbraw/zinc/64/27/24/575642724.db2.gz YGKPKSXTLXJDCH-UHFFFAOYSA-N 0 3 309.406 3.002 20 10 DGCDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000749571743 575665601 /nfs/dbraw/zinc/66/56/01/575665601.db2.gz BQXPVVSQXLGAIX-SFHVURJKSA-N 0 3 317.477 3.023 20 10 DGCDHN [O-]c1ccccc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000725851637 575932813 /nfs/dbraw/zinc/93/28/13/575932813.db2.gz VFQWPQALXOKWAT-UHFFFAOYSA-N 0 3 320.396 3.051 20 10 DGCDHN COc1cc(C)cc(CN2CCOC(C3CC3)(C3CC3)C2)c1O ZINC000853582362 620712282 /nfs/dbraw/zinc/71/22/82/620712282.db2.gz LQWPHMIHLCODNP-UHFFFAOYSA-N 0 3 317.429 3.100 20 10 DGCDHN COc1ccc(CN(C)Cc2cccc(F)c2)c(O)c1OC ZINC000891470873 617810165 /nfs/dbraw/zinc/81/01/65/617810165.db2.gz RLVVBMJBHVGLGI-UHFFFAOYSA-N 0 3 305.349 3.181 20 10 DGCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3c(C)noc3C)C2)cc1 ZINC000926680217 618086138 /nfs/dbraw/zinc/08/61/38/618086138.db2.gz KZWOGJUJYHFODS-WFASDCNBSA-N 0 3 315.417 3.230 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2c1c(F)ccc2[O-] ZINC000840886659 618129194 /nfs/dbraw/zinc/12/91/94/618129194.db2.gz KQHXSBSUPMVGRN-RYVSBMNDSA-N 0 3 315.335 3.218 20 10 DGCDHN COc1cc(C)cc(CNCc2cc(C)cc(Cl)n2)c1O ZINC000894664924 618415454 /nfs/dbraw/zinc/41/54/54/618415454.db2.gz IUPIKLYIWUZMAY-UHFFFAOYSA-N 0 3 306.793 3.356 20 10 DGCDHN COc1ccc(CNCc2c(C)cccc2F)c(O)c1OC ZINC000893087138 618418751 /nfs/dbraw/zinc/41/87/51/618418751.db2.gz WFGKIAQCACPJET-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN COc1cc(C)cc(CNCc2cccc(C)c2OC)c1O ZINC000895186406 618569750 /nfs/dbraw/zinc/56/97/50/618569750.db2.gz HNLLOIRWDVCALL-UHFFFAOYSA-N 0 3 301.386 3.316 20 10 DGCDHN COc1cc(C)cc(CNCc2c(C3CCC3)cnn2C)c1O ZINC000895278816 618586975 /nfs/dbraw/zinc/58/69/75/618586975.db2.gz DBJDFAGVIILJIT-UHFFFAOYSA-N 0 3 315.417 3.000 20 10 DGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CC2(C)C)c1[O-] ZINC000840956139 618628398 /nfs/dbraw/zinc/62/83/98/618628398.db2.gz DVCVORBCWSDNJC-NSHDSACASA-N 0 3 300.196 3.051 20 10 DGCDHN C[C@H](NC[C@@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 ZINC000925855850 618647268 /nfs/dbraw/zinc/64/72/68/618647268.db2.gz IFDXQPUQLIDSTE-SWLSCSKDSA-N 0 3 315.383 3.088 20 10 DGCDHN COCCN(Cc1cccs1)Cc1cc(C)cc(OC)c1O ZINC000893910661 618674824 /nfs/dbraw/zinc/67/48/24/618674824.db2.gz HRVKAJJBNGPUOX-UHFFFAOYSA-N 0 3 321.442 3.419 20 10 DGCDHN COc1ccc(CN(C)Cc2ccc(F)cc2C)c(O)c1OC ZINC000894007958 618691354 /nfs/dbraw/zinc/69/13/54/618691354.db2.gz KIOMJXJNQAKWQD-UHFFFAOYSA-N 0 3 319.376 3.489 20 10 DGCDHN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000895639819 618811249 /nfs/dbraw/zinc/81/12/49/618811249.db2.gz PBTODFUYKGVVBN-GOSISDBHSA-N 0 3 301.361 3.109 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895843816 618838459 /nfs/dbraw/zinc/83/84/59/618838459.db2.gz CRULTQHQPLETIY-SMDDNHRTSA-N 0 3 311.809 3.055 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895843816 618838460 /nfs/dbraw/zinc/83/84/60/618838460.db2.gz CRULTQHQPLETIY-SMDDNHRTSA-N 0 3 311.809 3.055 20 10 DGCDHN COC(=O)c1c[nH]c(C[NH2+][C@H](C)c2ccccc2[O-])c1C1CC1 ZINC000895850628 618842132 /nfs/dbraw/zinc/84/21/32/618842132.db2.gz CZNISVMCVDLTQB-LLVKDONJSA-N 0 3 314.385 3.235 20 10 DGCDHN COC1(OC)CC2(C[N@H+](Cc3ccccc3[O-])[C@H]2C(C)C)C1 ZINC000895994040 618860043 /nfs/dbraw/zinc/86/00/43/618860043.db2.gz BKMFQVQYUZSUGY-INIZCTEOSA-N 0 3 305.418 3.002 20 10 DGCDHN COC1(OC)CC2(C[N@@H+](Cc3ccccc3[O-])[C@H]2C(C)C)C1 ZINC000895994040 618860045 /nfs/dbraw/zinc/86/00/45/618860045.db2.gz BKMFQVQYUZSUGY-INIZCTEOSA-N 0 3 305.418 3.002 20 10 DGCDHN [O-]c1cccc(F)c1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000896637496 618939827 /nfs/dbraw/zinc/93/98/27/618939827.db2.gz NQQCKWCUMDBXQY-UHFFFAOYSA-N 0 3 306.425 3.418 20 10 DGCDHN C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000896737358 618951472 /nfs/dbraw/zinc/95/14/72/618951472.db2.gz RRYAZBNSYZBJSG-RDTXWAMCSA-N 0 3 313.397 3.096 20 10 DGCDHN Cc1ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC000896808046 618961891 /nfs/dbraw/zinc/96/18/91/618961891.db2.gz BHKPEGADKVPNDO-OCCSQVGLSA-N 0 3 303.324 3.290 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c([O-])c1 ZINC000897268149 619039378 /nfs/dbraw/zinc/03/93/78/619039378.db2.gz UUDUQVLDBUBWGO-INIZCTEOSA-N 0 3 319.445 3.430 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c([O-])c1 ZINC000897268149 619039379 /nfs/dbraw/zinc/03/93/79/619039379.db2.gz UUDUQVLDBUBWGO-INIZCTEOSA-N 0 3 319.445 3.430 20 10 DGCDHN Cc1csc(C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000897299163 619048697 /nfs/dbraw/zinc/04/86/97/619048697.db2.gz WCALSOAOHDQTDQ-LBPRGKRZSA-N 0 3 306.406 3.361 20 10 DGCDHN Cc1csc(C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000897299163 619048698 /nfs/dbraw/zinc/04/86/98/619048698.db2.gz WCALSOAOHDQTDQ-LBPRGKRZSA-N 0 3 306.406 3.361 20 10 DGCDHN CCOc1ccc(C[NH2+]Cc2cnn(CC3CCC3)c2)c([O-])c1 ZINC000897432429 619119041 /nfs/dbraw/zinc/11/90/41/619119041.db2.gz JMTLZTRBOIPGSN-UHFFFAOYSA-N 0 3 315.417 3.077 20 10 DGCDHN CCOCCOCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000927085465 619263937 /nfs/dbraw/zinc/26/39/37/619263937.db2.gz IJYUCVYOPMBIKW-GFCCVEGCSA-N 0 3 301.814 3.058 20 10 DGCDHN CC[C@@H](N[C@H](c1nncn1C)C(C)C)c1ccc(C)cc1O ZINC000903063418 619709317 /nfs/dbraw/zinc/70/93/17/619709317.db2.gz FCGWCXGCYAMJEH-ZBFHGGJFSA-N 0 3 302.422 3.267 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c([O-])c1 ZINC000903177889 619730609 /nfs/dbraw/zinc/73/06/09/619730609.db2.gz CBFZSBLVVRDHBP-MJVIPROJSA-N 0 3 303.324 3.461 20 10 DGCDHN CCN(C(=O)C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000903195494 619734159 /nfs/dbraw/zinc/73/41/59/619734159.db2.gz UKFFQVXYMOZEQR-MRXNPFEDSA-N 0 3 310.397 3.022 20 10 DGCDHN C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(Cl)cc1[O-] ZINC000903196606 619734567 /nfs/dbraw/zinc/73/45/67/619734567.db2.gz BMQUFZRQFGCAKM-NSHDSACASA-N 0 3 305.809 3.357 20 10 DGCDHN CC[C@](O)(CCC(F)(F)F)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903256121 619745853 /nfs/dbraw/zinc/74/58/53/619745853.db2.gz HKDSUBPMNTXTAK-DOMZBBRYSA-N 0 3 317.351 3.453 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)c2c1c(F)ccc2[O-] ZINC000903323244 619755786 /nfs/dbraw/zinc/75/57/86/619755786.db2.gz DICBIDUZHWYMGZ-YMTOWFKASA-N 0 3 313.332 3.406 20 10 DGCDHN CC[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(C)cc1[O-] ZINC000903346911 619761262 /nfs/dbraw/zinc/76/12/62/619761262.db2.gz JMQDFICZIHNJQV-MRXNPFEDSA-N 0 3 319.445 3.063 20 10 DGCDHN C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1ccc(F)cc1[O-] ZINC000903380778 619768580 /nfs/dbraw/zinc/76/85/80/619768580.db2.gz PHVRYSKDKFLXLE-SUMWQHHRSA-N 0 3 317.408 3.270 20 10 DGCDHN C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)c1ccccc1O ZINC000913764025 620477951 /nfs/dbraw/zinc/47/79/51/620477951.db2.gz YIAIXOUCIAUWDG-ZDUSSCGKSA-N 0 3 323.396 3.487 20 10 DGCDHN CC[C@@H]([NH3+])CN[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817979326 620898051 /nfs/dbraw/zinc/89/80/51/620898051.db2.gz JMRUBEBPHQOYOJ-VXNVDRBHSA-N 0 3 321.646 3.196 20 10 DGCDHN c1cnn(-c2ccc(CNCc3ccc4c(c3)CCCO4)cc2)c1 ZINC000921536848 620904618 /nfs/dbraw/zinc/90/46/18/620904618.db2.gz SFQXRWUTQGYEEP-UHFFFAOYSA-N 0 3 319.408 3.487 20 10 DGCDHN CN(C)c1ccc(CNCc2ccc3c(c2)ncn3C)cc1F ZINC000922481560 621042068 /nfs/dbraw/zinc/04/20/68/621042068.db2.gz NDZZIULNIRGDMF-UHFFFAOYSA-N 0 3 312.392 3.068 20 10 DGCDHN CCOc1cncc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000857046730 621050239 /nfs/dbraw/zinc/05/02/39/621050239.db2.gz PUABBOPFFQVRQW-GFCCVEGCSA-N 0 3 302.374 3.045 20 10 DGCDHN COc1cc(O)c(CN2CC(Cc3ccsc3)C2)cc1OC ZINC000857068564 621054185 /nfs/dbraw/zinc/05/41/85/621054185.db2.gz ZUBIFNZWRITDKX-UHFFFAOYSA-N 0 3 319.426 3.145 20 10 DGCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013758 621145259 /nfs/dbraw/zinc/14/52/59/621145259.db2.gz FJSZZFWYDUDSDW-QGZVFWFLSA-N 0 3 310.397 3.318 20 10 DGCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013758 621145262 /nfs/dbraw/zinc/14/52/62/621145262.db2.gz FJSZZFWYDUDSDW-QGZVFWFLSA-N 0 3 310.397 3.318 20 10 DGCDHN CN(C)c1cc(F)c(CNC[C@@H](c2ccco2)N(C)C)cc1F ZINC000858086601 621150943 /nfs/dbraw/zinc/15/09/43/621150943.db2.gz CHUFQWIEFDRZQI-INIZCTEOSA-N 0 3 323.387 3.016 20 10 DGCDHN COc1cc(F)c(CNCc2cc(C)ccc2O)cc1OC ZINC000858239388 621167214 /nfs/dbraw/zinc/16/72/14/621167214.db2.gz NAGHGDVZKIONRM-UHFFFAOYSA-N 0 3 305.349 3.147 20 10 DGCDHN CC[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccccc1[O-] ZINC000858448590 621192652 /nfs/dbraw/zinc/19/26/52/621192652.db2.gz DHKOVOAPOFVJKR-GXTWGEPZSA-N 0 3 313.323 3.433 20 10 DGCDHN CCOC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000858505485 621199395 /nfs/dbraw/zinc/19/93/95/621199395.db2.gz LCORRNSTACVUME-OSMZGAPFSA-N 0 3 319.376 3.321 20 10 DGCDHN COC(=O)CCCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000859189622 621258954 /nfs/dbraw/zinc/25/89/54/621258954.db2.gz AGJBYRRATSYKQN-UHFFFAOYSA-N 0 3 317.385 3.331 20 10 DGCDHN COC(=O)CCCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000859189622 621258956 /nfs/dbraw/zinc/25/89/56/621258956.db2.gz AGJBYRRATSYKQN-UHFFFAOYSA-N 0 3 317.385 3.331 20 10 DGCDHN CO[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753545586 621447578 /nfs/dbraw/zinc/44/75/78/621447578.db2.gz FXFQGZVVHGMING-SFHVURJKSA-N 0 3 313.397 3.192 20 10 DGCDHN CO[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753545586 621447579 /nfs/dbraw/zinc/44/75/79/621447579.db2.gz FXFQGZVVHGMING-SFHVURJKSA-N 0 3 313.397 3.192 20 10 DGCDHN CN(C)c1cc(F)c(CN2CCC[C@@H]3COCC[C@H]32)cc1F ZINC000862252417 621568229 /nfs/dbraw/zinc/56/82/29/621568229.db2.gz TWJVLSKDOZJSIH-MLGOLLRUSA-N 0 3 310.388 3.032 20 10 DGCDHN CN1CCCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000862483862 621594325 /nfs/dbraw/zinc/59/43/25/621594325.db2.gz ZQRIMQVMVWJUNF-NSHDSACASA-N 0 3 300.805 3.006 20 10 DGCDHN CCC(O)(CC)CN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862538682 621598299 /nfs/dbraw/zinc/59/82/99/621598299.db2.gz CNCWCDIRAGBPGQ-UHFFFAOYSA-N 0 3 300.393 3.014 20 10 DGCDHN COc1ncccc1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756394779 621635062 /nfs/dbraw/zinc/63/50/62/621635062.db2.gz YEUODJXHRMOPIF-GWCFXTLKSA-N 0 3 302.349 3.273 20 10 DGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N(C)C)c2c1c(F)ccc2[O-] ZINC000756411429 621636504 /nfs/dbraw/zinc/63/65/04/621636504.db2.gz PWYABHGDRARBPF-SMDDNHRTSA-N 0 3 315.392 3.330 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756414866 621636930 /nfs/dbraw/zinc/63/69/30/621636930.db2.gz JFBOKUICXUDPBP-UMVBOHGHSA-N 0 3 306.425 3.401 20 10 DGCDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CN1CCCCC1 ZINC000756435031 621638262 /nfs/dbraw/zinc/63/82/62/621638262.db2.gz SXCLZDLLVZQCQL-OLZOCXBDSA-N 0 3 312.404 3.443 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000756457848 621639417 /nfs/dbraw/zinc/63/94/17/621639417.db2.gz RRSMEYXDMPCEFP-QWHCGFSZSA-N 0 3 301.361 3.433 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)c2c1c(F)ccc2[O-] ZINC000756461087 621640178 /nfs/dbraw/zinc/64/01/78/621640178.db2.gz VBKBWIPSKXSEFO-WJQJUCBESA-N 0 3 313.372 3.328 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)c2c1c(F)ccc2[O-] ZINC000756553599 621647793 /nfs/dbraw/zinc/64/77/93/621647793.db2.gz GYFSNNDIUQZLOE-TZMCWYRMSA-N 0 3 320.408 3.072 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756584849 621651317 /nfs/dbraw/zinc/65/13/17/621651317.db2.gz HDTJTWQPBFDWFW-BYCMXARLSA-N 0 3 301.361 3.403 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000756607147 621652698 /nfs/dbraw/zinc/65/26/98/621652698.db2.gz ZJDNFGTUBQUOTL-UMVBOHGHSA-N 0 3 323.408 3.112 20 10 DGCDHN C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000756741844 621661911 /nfs/dbraw/zinc/66/19/11/621661911.db2.gz XQDLROJHZYSICU-BJOHPYRUSA-N 0 3 311.303 3.194 20 10 DGCDHN C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1[O-] ZINC000756763279 621662678 /nfs/dbraw/zinc/66/26/78/621662678.db2.gz WRSKDWFKQCFSLS-LRDDRELGSA-N 0 3 320.408 3.116 20 10 DGCDHN COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])C2 ZINC000756776237 621663742 /nfs/dbraw/zinc/66/37/42/621663742.db2.gz XISLTPULYXWZOF-UKRRQHHQSA-N 0 3 313.397 3.364 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c2c1c(F)ccc2[O-] ZINC000756783446 621664269 /nfs/dbraw/zinc/66/42/69/621664269.db2.gz YWNAAJKEUBBBMM-QDTBLXIISA-N 0 3 321.392 3.007 20 10 DGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCCC3)O2)c2c1c(F)ccc2[O-] ZINC000756785953 621664379 /nfs/dbraw/zinc/66/43/79/621664379.db2.gz HCVLLGGNJFRMRW-DYEKYZERSA-N 0 3 321.392 3.355 20 10 DGCDHN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cccc(C(F)(F)F)c1[O-] ZINC000863544763 621682296 /nfs/dbraw/zinc/68/22/96/621682296.db2.gz ANFSPTLHSJOGBE-GMTAPVOTSA-N 0 3 302.340 3.202 20 10 DGCDHN C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000863544763 621682298 /nfs/dbraw/zinc/68/22/98/621682298.db2.gz ANFSPTLHSJOGBE-GMTAPVOTSA-N 0 3 302.340 3.202 20 10 DGCDHN CC[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccccc1[O-] ZINC000839541001 621693113 /nfs/dbraw/zinc/69/31/13/621693113.db2.gz QDILYQPEJPKNPS-WBVHZDCISA-N 0 3 310.397 3.386 20 10 DGCDHN [NH3+]C[C@H]1CN(Cc2c([O-])cccc2Cl)CC[C@H]1C(F)(F)F ZINC000863646291 621693287 /nfs/dbraw/zinc/69/32/87/621693287.db2.gz ISGYFGSFMYOJON-GXSJLCMTSA-N 0 3 322.758 3.005 20 10 DGCDHN [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC[C@H]1C(F)(F)F ZINC000863646021 621693461 /nfs/dbraw/zinc/69/34/61/621693461.db2.gz FTUBLRIYCZKJLP-ZYHUDNBSSA-N 0 3 322.758 3.005 20 10 DGCDHN CC(C)[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])[C@H](O)C(F)(F)F ZINC000866464887 622122893 /nfs/dbraw/zinc/12/28/93/622122893.db2.gz ZNXUCUVPNTXGDC-JCOFBHIZSA-N 0 3 309.303 3.130 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cn(C)c3ncccc23)c([O-])c1 ZINC000866574521 622141322 /nfs/dbraw/zinc/14/13/22/622141322.db2.gz WNBCURCTAXHYFN-CQSZACIVSA-N 0 3 309.413 3.481 20 10 DGCDHN Cc1cc(Cl)cc(C[N@H+](C)CCCNC(=O)C2CCC2)c1[O-] ZINC000763628283 622155863 /nfs/dbraw/zinc/15/58/63/622155863.db2.gz VMVUZGPYQRHKHU-UHFFFAOYSA-N 0 3 324.852 3.092 20 10 DGCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c1[O-] ZINC000763628283 622155864 /nfs/dbraw/zinc/15/58/64/622155864.db2.gz VMVUZGPYQRHKHU-UHFFFAOYSA-N 0 3 324.852 3.092 20 10 DGCDHN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000765359773 622260946 /nfs/dbraw/zinc/26/09/46/622260946.db2.gz YLHPMEQQQWLXMV-DOTOQJQBSA-N 0 3 323.440 3.209 20 10 DGCDHN CCn1nc(C)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000765658678 622280467 /nfs/dbraw/zinc/28/04/67/622280467.db2.gz IXBPONCOMXBHGY-ZDUSSCGKSA-N 0 3 300.450 3.437 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000766090536 622305283 /nfs/dbraw/zinc/30/52/83/622305283.db2.gz VIMNBYAPDZRDIG-IAGOWNOFSA-N 0 3 307.434 3.473 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c([O-])c1 ZINC000767728796 622419151 /nfs/dbraw/zinc/41/91/51/622419151.db2.gz SGSBIBNVAYHVFJ-MRXNPFEDSA-N 0 3 313.397 3.144 20 10 DGCDHN [O-]c1cc2c(cc1C[N@H+](Cc1cccs1)C1CC1)[C@@H](O)CO2 ZINC000768441228 622456221 /nfs/dbraw/zinc/45/62/21/622456221.db2.gz IMLUWCGVJIRMLC-INIZCTEOSA-N 0 3 317.410 3.044 20 10 DGCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1cccs1)C1CC1)[C@@H](O)CO2 ZINC000768441228 622456223 /nfs/dbraw/zinc/45/62/23/622456223.db2.gz IMLUWCGVJIRMLC-INIZCTEOSA-N 0 3 317.410 3.044 20 10 DGCDHN CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768446235 622456804 /nfs/dbraw/zinc/45/68/04/622456804.db2.gz LROPACMFOGHOBO-PBHICJAKSA-N 0 3 319.445 3.466 20 10 DGCDHN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768446235 622456808 /nfs/dbraw/zinc/45/68/08/622456808.db2.gz LROPACMFOGHOBO-PBHICJAKSA-N 0 3 319.445 3.466 20 10 DGCDHN COCc1ccc([C@@H]2CCCN2Cc2c(O)cccc2OC)o1 ZINC000768541300 622463417 /nfs/dbraw/zinc/46/34/17/622463417.db2.gz MSGHTUORWVEXII-HNNXBMFYSA-N 0 3 317.385 3.477 20 10 DGCDHN COc1cc2c(cc1CN(C)Cc1ccccc1O)O[C@H](C)C2 ZINC000768872049 622482174 /nfs/dbraw/zinc/48/21/74/622482174.db2.gz AOFQYXKJPLXNTR-CYBMUJFWSA-N 0 3 313.397 3.356 20 10 DGCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c([O-])c1 ZINC000768892085 622483737 /nfs/dbraw/zinc/48/37/37/622483737.db2.gz FZELGONQDGOAGT-HNNXBMFYSA-N 0 3 315.413 3.174 20 10 DGCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c([O-])c1 ZINC000768892085 622483738 /nfs/dbraw/zinc/48/37/38/622483738.db2.gz FZELGONQDGOAGT-HNNXBMFYSA-N 0 3 315.413 3.174 20 10 DGCDHN CCOc1ccc(C[NH+]2CCC(OCC(C)C)CC2)c([O-])c1 ZINC000768937885 622486521 /nfs/dbraw/zinc/48/65/21/622486521.db2.gz FJFTUOBTQYHZKP-UHFFFAOYSA-N 0 3 307.434 3.428 20 10 DGCDHN C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769513594 622536563 /nfs/dbraw/zinc/53/65/63/622536563.db2.gz CHKFYKNUQXBQAW-CQSZACIVSA-N 0 3 308.853 3.209 20 10 DGCDHN C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769513594 622536565 /nfs/dbraw/zinc/53/65/65/622536565.db2.gz CHKFYKNUQXBQAW-CQSZACIVSA-N 0 3 308.853 3.209 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c([O-])c1 ZINC000769519592 622537568 /nfs/dbraw/zinc/53/75/68/622537568.db2.gz TVFQIQODXAGOLX-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c([O-])c1 ZINC000769519592 622537569 /nfs/dbraw/zinc/53/75/69/622537569.db2.gz TVFQIQODXAGOLX-HNNXBMFYSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC000770374371 622625587 /nfs/dbraw/zinc/62/55/87/622625587.db2.gz MXFJSPUFQPRGLD-GOEBONIOSA-N 0 3 305.418 3.039 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([O-])c1 ZINC000770374371 622625589 /nfs/dbraw/zinc/62/55/89/622625589.db2.gz MXFJSPUFQPRGLD-GOEBONIOSA-N 0 3 305.418 3.039 20 10 DGCDHN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000770374308 622625608 /nfs/dbraw/zinc/62/56/08/622625608.db2.gz LDASYKSYUJFNBL-CXAGYDPISA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000770374308 622625609 /nfs/dbraw/zinc/62/56/09/622625609.db2.gz LDASYKSYUJFNBL-CXAGYDPISA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000770374309 622626336 /nfs/dbraw/zinc/62/63/36/622626336.db2.gz LDASYKSYUJFNBL-DYVFJYSZSA-N 0 3 320.864 3.494 20 10 DGCDHN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000770374309 622626339 /nfs/dbraw/zinc/62/63/39/622626339.db2.gz LDASYKSYUJFNBL-DYVFJYSZSA-N 0 3 320.864 3.494 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1[O-] ZINC000872111281 622813948 /nfs/dbraw/zinc/81/39/48/622813948.db2.gz CAXZNUJAUDJVSI-VXGBXAGGSA-N 0 3 311.809 3.348 20 10 DGCDHN Oc1cc2c(cc1CN1CCO[C@@H](C(F)F)CC1)CCCC2 ZINC000872681833 622952755 /nfs/dbraw/zinc/95/27/55/622952755.db2.gz UVEXNSKQWXYIRF-MRXNPFEDSA-N 0 3 311.372 3.127 20 10 DGCDHN CCN(C)c1ccc(CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000773810631 623074269 /nfs/dbraw/zinc/07/42/69/623074269.db2.gz VMHZHQCAZUCQEZ-FQEVSTJZSA-N 0 3 310.441 3.066 20 10 DGCDHN C[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000774486726 623152247 /nfs/dbraw/zinc/15/22/47/623152247.db2.gz XMDRHKHZNRUSFV-CVEARBPZSA-N 0 3 317.477 3.194 20 10 DGCDHN C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1[O-] ZINC000775136631 623234963 /nfs/dbraw/zinc/23/49/63/623234963.db2.gz MJSKRSOGEJGZQB-HNNXBMFYSA-N 0 3 324.424 3.479 20 10 DGCDHN C[C@H](NCc1cc(-c2cccnc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000775361699 623259908 /nfs/dbraw/zinc/25/99/08/623259908.db2.gz DQNYTEKXBKLJCC-AWEZNQCLSA-N 0 3 321.428 3.389 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CCSC3)c2c1 ZINC000124967812 623264569 /nfs/dbraw/zinc/26/45/69/623264569.db2.gz HVLWKJYMAZIIDM-ZDUSSCGKSA-N 0 3 303.427 3.491 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CCSC3)c2c1 ZINC000124967812 623264574 /nfs/dbraw/zinc/26/45/74/623264574.db2.gz HVLWKJYMAZIIDM-ZDUSSCGKSA-N 0 3 303.427 3.491 20 10 DGCDHN CC[C@@H]([NH2+]CC(=O)N(CC)c1ccccc1)c1ccccc1[O-] ZINC000775412782 623272108 /nfs/dbraw/zinc/27/21/08/623272108.db2.gz QIRZLYGOIKCNEL-QGZVFWFLSA-N 0 3 312.413 3.486 20 10 DGCDHN C[C@H](NCC(=O)Nc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000775832068 623338238 /nfs/dbraw/zinc/33/82/38/623338238.db2.gz WYWODTPVPYUFQN-ZDUSSCGKSA-N 0 3 315.392 3.181 20 10 DGCDHN CCCCC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830418 623338273 /nfs/dbraw/zinc/33/82/73/623338273.db2.gz IEVYQERJSDSZFT-CVEARBPZSA-N 0 3 319.493 3.488 20 10 DGCDHN C[C@H](NCC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775829943 623338518 /nfs/dbraw/zinc/33/85/18/623338518.db2.gz BEMNUBYAXSGBMQ-OAGGEKHMSA-N 0 3 317.477 3.193 20 10 DGCDHN C[C@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775834715 623339195 /nfs/dbraw/zinc/33/91/95/623339195.db2.gz PIDMRCQTIPDWMY-RLFYNMQTSA-N 0 3 317.477 3.098 20 10 DGCDHN C[C@H](NCC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775834714 623339437 /nfs/dbraw/zinc/33/94/37/623339437.db2.gz PIDMRCQTIPDWMY-MPGHIAIKSA-N 0 3 317.477 3.098 20 10 DGCDHN CC(C)C[C@@H](C)N(C)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775837453 623339920 /nfs/dbraw/zinc/33/99/20/623339920.db2.gz SRCBKJJVHOJDGK-HZPDHXFCSA-N 0 3 319.493 3.296 20 10 DGCDHN Cc1cc(O)c(CNC2(C(=O)Nc3ccccc3)CC2)cc1C ZINC000778218144 623627094 /nfs/dbraw/zinc/62/70/94/623627094.db2.gz PASSEVCOGNYXJK-UHFFFAOYSA-N 0 3 310.397 3.270 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000876550279 623641458 /nfs/dbraw/zinc/64/14/58/623641458.db2.gz WSKZPDCENUCBKT-UHFFFAOYSA-N 0 3 322.412 3.123 20 10 DGCDHN Cc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)c(O)c1 ZINC000876700759 623686204 /nfs/dbraw/zinc/68/62/04/623686204.db2.gz XGRMTHQALYGFLS-UHFFFAOYSA-N 0 3 323.396 3.164 20 10 DGCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000876807471 623710925 /nfs/dbraw/zinc/71/09/25/623710925.db2.gz FASODUOLSUIYHP-YOEHRIQHSA-N 0 3 301.386 3.382 20 10 DGCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000876807471 623710930 /nfs/dbraw/zinc/71/09/30/623710930.db2.gz FASODUOLSUIYHP-YOEHRIQHSA-N 0 3 301.386 3.382 20 10 DGCDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000779000409 623719192 /nfs/dbraw/zinc/71/91/92/623719192.db2.gz VIIZHNZFPLBWCK-CPUCHLNUSA-N 0 3 306.425 3.369 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000779010373 623720830 /nfs/dbraw/zinc/72/08/30/623720830.db2.gz UMENILRBOMCGAG-GOSISDBHSA-N 0 3 301.361 3.495 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000779010373 623720836 /nfs/dbraw/zinc/72/08/36/623720836.db2.gz UMENILRBOMCGAG-GOSISDBHSA-N 0 3 301.361 3.495 20 10 DGCDHN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cc(F)ccc1O ZINC000779018334 623721518 /nfs/dbraw/zinc/72/15/18/623721518.db2.gz LBIWOXQXMBRWTI-OAHLLOKOSA-N 0 3 314.404 3.238 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000877075930 623785331 /nfs/dbraw/zinc/78/53/31/623785331.db2.gz SXGDEBXNEADKBK-UHFFFAOYSA-N 0 3 308.422 3.094 20 10 DGCDHN Cc1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000877131356 623799808 /nfs/dbraw/zinc/79/98/08/623799808.db2.gz YKAJIXZEQDZFMH-ACJLOTCBSA-N 0 3 303.377 3.442 20 10 DGCDHN CO[C@]1(C(F)(F)F)CCCN(Cc2ccc(C)cc2O)C1 ZINC000877460747 623892872 /nfs/dbraw/zinc/89/28/72/623892872.db2.gz UKQQVOHCBRQPHU-CQSZACIVSA-N 0 3 303.324 3.244 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000877476484 623900751 /nfs/dbraw/zinc/90/07/51/623900751.db2.gz FZIXITUIGSEABM-MJGOQNOKSA-N 0 3 315.388 3.096 20 10 DGCDHN COc1cc(CNCc2cccc(OC)c2O)c(Cl)cc1O ZINC000877526936 623924501 /nfs/dbraw/zinc/92/45/01/623924501.db2.gz WJUVOCRTUWUGHI-UHFFFAOYSA-N 0 3 323.776 3.058 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000877542548 623934920 /nfs/dbraw/zinc/93/49/20/623934920.db2.gz TVZGTEALHSMEOK-HNNXBMFYSA-N 0 3 314.404 3.456 20 10 DGCDHN C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790748149 625691919 /nfs/dbraw/zinc/69/19/19/625691919.db2.gz JYSZRUBCQCMNDN-ZDUSSCGKSA-N 0 3 321.421 3.073 20 10 DGCDHN Cc1cccc([O-])c1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000877548688 623937109 /nfs/dbraw/zinc/93/71/09/623937109.db2.gz QZOAZVCHTJCOQP-UHFFFAOYSA-N 0 3 311.425 3.227 20 10 DGCDHN O=C1C[C@]2(CCN(Cc3ccccc3O)C2)Oc2ccccc21 ZINC000877590025 623953739 /nfs/dbraw/zinc/95/37/39/623953739.db2.gz WHGMTVMYCQCOJU-IBGZPJMESA-N 0 3 309.365 3.002 20 10 DGCDHN O=C1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)Oc2ccccc21 ZINC000877590025 623953745 /nfs/dbraw/zinc/95/37/45/623953745.db2.gz WHGMTVMYCQCOJU-IBGZPJMESA-N 0 3 309.365 3.002 20 10 DGCDHN O=C1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)Oc2ccccc21 ZINC000877590025 623953748 /nfs/dbraw/zinc/95/37/48/623953748.db2.gz WHGMTVMYCQCOJU-IBGZPJMESA-N 0 3 309.365 3.002 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000877593611 623955837 /nfs/dbraw/zinc/95/58/37/623955837.db2.gz WYAOAXWBKIRSGP-MRXNPFEDSA-N 0 3 300.377 3.208 20 10 DGCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000877602947 623959261 /nfs/dbraw/zinc/95/92/61/623959261.db2.gz AJSYMOAWVCFUGJ-UONOGXRCSA-N 0 3 322.449 3.482 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780788942 623985819 /nfs/dbraw/zinc/98/58/19/623985819.db2.gz DWHROFUTAQMBTE-HNNXBMFYSA-N 0 3 313.397 3.302 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780788942 623985822 /nfs/dbraw/zinc/98/58/22/623985822.db2.gz DWHROFUTAQMBTE-HNNXBMFYSA-N 0 3 313.397 3.302 20 10 DGCDHN CCN(CC)c1ccc(CN2CCC[C@H]([C@H](C)O)C2)cc1F ZINC000780892554 623994218 /nfs/dbraw/zinc/99/42/18/623994218.db2.gz LIIIWFFRTVURPZ-HOCLYGCPSA-N 0 3 308.441 3.265 20 10 DGCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000790737618 625691283 /nfs/dbraw/zinc/69/12/83/625691283.db2.gz NTIHRCKCZCIVIQ-OCCSQVGLSA-N 0 3 321.367 3.172 20 10 DGCDHN COc1cc(OC)c(CN[C@H](C)c2ccccc2O)cc1F ZINC000877755663 624022025 /nfs/dbraw/zinc/02/20/25/624022025.db2.gz KRZJHZLDBCEICV-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN CCOC(=O)N1CCC(C)(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000877758426 624024263 /nfs/dbraw/zinc/02/42/63/624024263.db2.gz ZXHFJMDDMCTEKP-AWEZNQCLSA-N 0 3 320.433 3.301 20 10 DGCDHN CC1([NH+]2CCCCC2)CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000877794644 624036601 /nfs/dbraw/zinc/03/66/01/624036601.db2.gz OEISENVKZUQDPM-UHFFFAOYSA-N 0 3 306.425 3.372 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CC2(OC(C)C)CCC2)c1[O-] ZINC000877806981 624040350 /nfs/dbraw/zinc/04/03/50/624040350.db2.gz MQEGSPXUGLSFLJ-UHFFFAOYSA-N 0 3 313.825 3.492 20 10 DGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000877814140 624046346 /nfs/dbraw/zinc/04/63/46/624046346.db2.gz UGTFSTGNEYOTTC-LBPRGKRZSA-N 0 3 304.415 3.155 20 10 DGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000877814140 624046348 /nfs/dbraw/zinc/04/63/48/624046348.db2.gz UGTFSTGNEYOTTC-LBPRGKRZSA-N 0 3 304.415 3.155 20 10 DGCDHN CN(C)c1ccc(CN(C)[C@@H](CCO)c2ccccc2)cc1F ZINC000126885422 624162927 /nfs/dbraw/zinc/16/29/27/624162927.db2.gz GIWALDPTQJMAKO-SFHVURJKSA-N 0 3 316.420 3.447 20 10 DGCDHN [O-]c1ccccc1C[N@H+](CC[C@@H]1CCOC1)Cc1ccco1 ZINC000783498971 624358999 /nfs/dbraw/zinc/35/89/99/624358999.db2.gz YNXBWPZGMIFVMI-OAHLLOKOSA-N 0 3 301.386 3.414 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](CC[C@@H]1CCOC1)Cc1ccco1 ZINC000783498971 624359002 /nfs/dbraw/zinc/35/90/02/624359002.db2.gz YNXBWPZGMIFVMI-OAHLLOKOSA-N 0 3 301.386 3.414 20 10 DGCDHN C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1[O-] ZINC000783503113 624359374 /nfs/dbraw/zinc/35/93/74/624359374.db2.gz GQNWHHZELUSXGM-YOEHRIQHSA-N 0 3 312.413 3.262 20 10 DGCDHN COc1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])c(OC)c1 ZINC000783508464 624360169 /nfs/dbraw/zinc/36/01/69/624360169.db2.gz KTVRFFIADDDSFE-CYBMUJFWSA-N 0 3 301.386 3.303 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c([O-])c1 ZINC000783597384 624373179 /nfs/dbraw/zinc/37/31/79/624373179.db2.gz MOXKDEHUHGHHKC-INIZCTEOSA-N 0 3 312.413 3.251 20 10 DGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c([O-])c1 ZINC000783597384 624373181 /nfs/dbraw/zinc/37/31/81/624373181.db2.gz MOXKDEHUHGHHKC-INIZCTEOSA-N 0 3 312.413 3.251 20 10 DGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC=CO2)c1[O-] ZINC000783704879 624385404 /nfs/dbraw/zinc/38/54/04/624385404.db2.gz JETLCAADTOVAHI-ZDUSSCGKSA-N 0 3 312.207 3.245 20 10 DGCDHN CCN(CC)c1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1F ZINC000783727816 624388292 /nfs/dbraw/zinc/38/82/92/624388292.db2.gz FOKGCJVENIDUKS-QGZVFWFLSA-N 0 3 308.441 3.265 20 10 DGCDHN C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1[O-] ZINC000879648289 624621034 /nfs/dbraw/zinc/62/10/34/624621034.db2.gz IQRJSHRORDPNBH-HIFRSBDPSA-N 0 3 312.369 3.068 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879648511 624621174 /nfs/dbraw/zinc/62/11/74/624621174.db2.gz RRZVNLWXYBDNPS-FMKPAKJESA-N 0 3 304.434 3.080 20 10 DGCDHN C[C@@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1[O-] ZINC000879648119 624621199 /nfs/dbraw/zinc/62/11/99/624621199.db2.gz ZAFJIQYJEYZTQL-BFYDXBDKSA-N 0 3 316.445 3.224 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1ccccc1[O-] ZINC000879650066 624622609 /nfs/dbraw/zinc/62/26/09/624622609.db2.gz ZMQJLCVOWTUUQA-CABCVRRESA-N 0 3 324.424 3.016 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccccc1[O-] ZINC000879649361 624622764 /nfs/dbraw/zinc/62/27/64/624622764.db2.gz RCRHSFVUAYXCAR-OLZOCXBDSA-N 0 3 321.804 3.136 20 10 DGCDHN C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccccc1[O-] ZINC000879648809 624622895 /nfs/dbraw/zinc/62/28/95/624622895.db2.gz AMGVNSHJOWKALF-SECBINFHSA-N 0 3 313.266 3.257 20 10 DGCDHN C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000879650027 624622944 /nfs/dbraw/zinc/62/29/44/624622944.db2.gz YCXMKQYROMGCIL-CHWSQXEVSA-N 0 3 316.376 3.059 20 10 DGCDHN C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000879650086 624623140 /nfs/dbraw/zinc/62/31/40/624623140.db2.gz ZZKLODPQNGQYRZ-GFCCVEGCSA-N 0 3 302.330 3.030 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879651810 624624804 /nfs/dbraw/zinc/62/48/04/624624804.db2.gz LHVKVBWBSJJRPJ-KSSFIOAISA-N 0 3 324.424 3.237 20 10 DGCDHN C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1[O-] ZINC000879653960 624626797 /nfs/dbraw/zinc/62/67/97/624626797.db2.gz ZAFJIQYJEYZTQL-ZOBUZTSGSA-N 0 3 316.445 3.224 20 10 DGCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000796481519 626054752 /nfs/dbraw/zinc/05/47/52/626054752.db2.gz IAAFTRJZQYVTDW-IFXJQAMLSA-N 0 3 315.413 3.311 20 10 DGCDHN C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccccc1[O-] ZINC000797132151 626116810 /nfs/dbraw/zinc/11/68/10/626116810.db2.gz KQPPVOSFQDDIGI-ASSNKEHSSA-N 0 3 303.427 3.122 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@H](CO)CC2CCCC2)c([O-])c1 ZINC000798503029 626221698 /nfs/dbraw/zinc/22/16/98/626221698.db2.gz BGRCJZRZKWOHDK-OAHLLOKOSA-N 0 3 307.434 3.069 20 10 DGCDHN Cn1nccc1[C@H]1CCCCN1Cc1cc2c(cc1O)CCC2 ZINC000799151090 626275869 /nfs/dbraw/zinc/27/58/69/626275869.db2.gz TVPONLHHTHVPOK-GOSISDBHSA-N 0 3 311.429 3.342 20 10 DGCDHN Cc1cc(C)c(O)c(CN2CCN(c3cnccc3C)CC2)c1 ZINC000799155624 626276258 /nfs/dbraw/zinc/27/62/58/626276258.db2.gz XWXOHOXGNSPVDU-UHFFFAOYSA-N 0 3 311.429 3.035 20 10 DGCDHN CCCN(CCC)c1ccc(CN(CC)[C@@H]2CCNC2=O)cc1 ZINC000799737895 626326436 /nfs/dbraw/zinc/32/64/36/626326436.db2.gz QBSWSLHNWREMKC-GOSISDBHSA-N 0 3 317.477 3.023 20 10 DGCDHN COc1cccc(CN2CCc3cc(F)cc(C)c3C2)c1O ZINC000800535478 626366767 /nfs/dbraw/zinc/36/67/67/626366767.db2.gz CPPVZRVENJEIDI-UHFFFAOYSA-N 0 3 301.361 3.407 20 10 DGCDHN C[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)OCCc2ccccc21 ZINC000883341690 626653852 /nfs/dbraw/zinc/65/38/52/626653852.db2.gz XRMBXODZHOHENJ-FXAWDEMLSA-N 0 3 309.409 3.457 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](OC)[C@@H](C)C3)c2c1 ZINC000840127672 626790279 /nfs/dbraw/zinc/79/02/79/626790279.db2.gz TXNRUTFDYMFGIM-ORAYPTAESA-N 0 3 315.413 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](OC)[C@@H](C)C3)c2c1 ZINC000840127672 626790283 /nfs/dbraw/zinc/79/02/83/626790283.db2.gz TXNRUTFDYMFGIM-ORAYPTAESA-N 0 3 315.413 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2c1 ZINC000840127670 626790310 /nfs/dbraw/zinc/79/03/10/626790310.db2.gz TXNRUTFDYMFGIM-DJJJIMSYSA-N 0 3 315.413 3.411 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)c2c1 ZINC000840127670 626790313 /nfs/dbraw/zinc/79/03/13/626790313.db2.gz TXNRUTFDYMFGIM-DJJJIMSYSA-N 0 3 315.413 3.411 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1[O-] ZINC000808679315 626848677 /nfs/dbraw/zinc/84/86/77/626848677.db2.gz KSFNYWHHWBNIRS-NWDGAFQWSA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000808684428 626849255 /nfs/dbraw/zinc/84/92/55/626849255.db2.gz NVOXLMUEQPEZSH-MNOVXSKESA-N 0 3 312.841 3.308 20 10 DGCDHN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808702203 626851220 /nfs/dbraw/zinc/85/12/20/626851220.db2.gz CPPIMRDUHSCWAZ-WCQYABFASA-N 0 3 310.825 3.016 20 10 DGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1[O-] ZINC000808706552 626851605 /nfs/dbraw/zinc/85/16/05/626851605.db2.gz MRSOKLBOHNJPGW-GVAXYQGFSA-N 0 3 322.836 3.014 20 10 DGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1[O-] ZINC000808707528 626851878 /nfs/dbraw/zinc/85/18/78/626851878.db2.gz RHGMIQDQNVIJDE-YPMHNXCESA-N 0 3 310.825 3.014 20 10 DGCDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808714000 626853256 /nfs/dbraw/zinc/85/32/56/626853256.db2.gz LHXRQHLHHWJTNS-KCPJHIHWSA-N 0 3 313.825 3.199 20 10 DGCDHN Cc1ccc(O)c(CN(CC(=O)N2CCCCCC2)C(C)C)c1 ZINC000809715143 626940717 /nfs/dbraw/zinc/94/07/17/626940717.db2.gz ZFEYAECBKVECJT-UHFFFAOYSA-N 0 3 318.461 3.314 20 10 DGCDHN CO[C@@H](C)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809718794 626940939 /nfs/dbraw/zinc/94/09/39/626940939.db2.gz YPFNVMSXBYRJHA-AWEZNQCLSA-N 0 3 321.421 3.052 20 10 DGCDHN COC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000809730600 626942517 /nfs/dbraw/zinc/94/25/17/626942517.db2.gz UUDCWWWCZFNDTM-UHFFFAOYSA-N 0 3 319.788 3.430 20 10 DGCDHN COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000809732787 626943267 /nfs/dbraw/zinc/94/32/67/626943267.db2.gz KAEBAKGTDPIJLP-UHFFFAOYSA-N 0 3 319.788 3.430 20 10 DGCDHN CC(C)N1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809735665 626943408 /nfs/dbraw/zinc/94/34/08/626943408.db2.gz NXBAMZVBVXGOFB-NSHDSACASA-N 0 3 300.805 3.005 20 10 DGCDHN CC(C)[N@@H+]1CC[C@@H](CNCc2cc(Cl)cc(F)c2[O-])C1 ZINC000809735665 626943413 /nfs/dbraw/zinc/94/34/13/626943413.db2.gz NXBAMZVBVXGOFB-NSHDSACASA-N 0 3 300.805 3.005 20 10 DGCDHN CC(C)[N@H+]1CC[C@@H](CNCc2cc(Cl)cc(F)c2[O-])C1 ZINC000809735665 626943415 /nfs/dbraw/zinc/94/34/15/626943415.db2.gz NXBAMZVBVXGOFB-NSHDSACASA-N 0 3 300.805 3.005 20 10 DGCDHN CC(C)N1CC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809735664 626943624 /nfs/dbraw/zinc/94/36/24/626943624.db2.gz NXBAMZVBVXGOFB-LLVKDONJSA-N 0 3 300.805 3.005 20 10 DGCDHN CC(C)[N@@H+]1CC[C@H](CNCc2cc(Cl)cc(F)c2[O-])C1 ZINC000809735664 626943626 /nfs/dbraw/zinc/94/36/26/626943626.db2.gz NXBAMZVBVXGOFB-LLVKDONJSA-N 0 3 300.805 3.005 20 10 DGCDHN CC(C)[N@H+]1CC[C@H](CNCc2cc(Cl)cc(F)c2[O-])C1 ZINC000809735664 626943627 /nfs/dbraw/zinc/94/36/27/626943627.db2.gz NXBAMZVBVXGOFB-LLVKDONJSA-N 0 3 300.805 3.005 20 10 DGCDHN CN(C)CC[N@H+](CCCc1ccccc1)Cc1ccccc1[O-] ZINC000809737262 626943679 /nfs/dbraw/zinc/94/36/79/626943679.db2.gz SSDYCXBKJOVBHY-UHFFFAOYSA-N 0 3 312.457 3.389 20 10 DGCDHN CN(C)CC[N@@H+](CCCc1ccccc1)Cc1ccccc1[O-] ZINC000809737262 626943681 /nfs/dbraw/zinc/94/36/81/626943681.db2.gz SSDYCXBKJOVBHY-UHFFFAOYSA-N 0 3 312.457 3.389 20 10 DGCDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809767492 626948963 /nfs/dbraw/zinc/94/89/63/626948963.db2.gz MTDJHSJZKAGEMF-SMDDNHRTSA-N 0 3 312.816 3.101 20 10 DGCDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809767492 626948966 /nfs/dbraw/zinc/94/89/66/626948966.db2.gz MTDJHSJZKAGEMF-SMDDNHRTSA-N 0 3 312.816 3.101 20 10 DGCDHN CC(C)[C@H](NCc1ccc(N(C)C)c(F)c1)c1cnn(C)c1 ZINC000886518619 627155498 /nfs/dbraw/zinc/15/54/98/627155498.db2.gz AKLLQXYDCIDSNU-KRWDZBQOSA-N 0 3 304.413 3.112 20 10 DGCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1c([O-])cccc1F ZINC000886548266 627160810 /nfs/dbraw/zinc/16/08/10/627160810.db2.gz ZTWKNQGPTHKFPL-KFWWJZLASA-N 0 3 324.440 3.071 20 10 DGCDHN CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000886788447 627204522 /nfs/dbraw/zinc/20/45/22/627204522.db2.gz BXNUJJSKMFJGCF-PVAVHDDUSA-N 0 3 307.434 3.183 20 10 DGCDHN CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000886788448 627204606 /nfs/dbraw/zinc/20/46/06/627204606.db2.gz BXNUJJSKMFJGCF-XIRDDKMYSA-N 0 3 307.434 3.183 20 10 DGCDHN CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000886788446 627204613 /nfs/dbraw/zinc/20/46/13/627204613.db2.gz BXNUJJSKMFJGCF-HYVNUMGLSA-N 0 3 307.434 3.183 20 10 DGCDHN Cc1nccnc1CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000815651064 627694782 /nfs/dbraw/zinc/69/47/82/627694782.db2.gz JCAPRSXHFWRGGE-QMTHXVAHSA-N 0 3 301.365 3.010 20 10 DGCDHN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(F)cc1[O-] ZINC000816520544 627801410 /nfs/dbraw/zinc/80/14/10/627801410.db2.gz RQZCGUDNMYJZGG-OLZOCXBDSA-N 0 3 312.816 3.243 20 10 DGCDHN CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(F)cc1[O-] ZINC000816520544 627801412 /nfs/dbraw/zinc/80/14/12/627801412.db2.gz RQZCGUDNMYJZGG-OLZOCXBDSA-N 0 3 312.816 3.243 20 10 DGCDHN CCOc1ccc(CN2CCN(C)Cc3ccccc32)c(O)c1 ZINC000816618462 627815207 /nfs/dbraw/zinc/81/52/07/627815207.db2.gz YKEXIVBQHRKJFY-UHFFFAOYSA-N 0 3 312.413 3.243 20 10 DGCDHN CCOCC(C)(C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000816639359 627818346 /nfs/dbraw/zinc/81/83/46/627818346.db2.gz PJOIUADHFHYDTE-UHFFFAOYSA-N 0 3 316.239 3.368 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@H]3CCCN3C)c2c1 ZINC000817372902 627891089 /nfs/dbraw/zinc/89/10/89/627891089.db2.gz LHCKPRVVICDODD-OAHLLOKOSA-N 0 3 314.429 3.080 20 10 DGCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@H]3CCCN3C)c2c1 ZINC000817372902 627891092 /nfs/dbraw/zinc/89/10/92/627891092.db2.gz LHCKPRVVICDODD-OAHLLOKOSA-N 0 3 314.429 3.080 20 10 DGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1[O-] ZINC000817418645 627897813 /nfs/dbraw/zinc/89/78/13/627897813.db2.gz AQGAEDGLVCKFIY-GFCCVEGCSA-N 0 3 313.825 3.039 20 10 DGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCO)CC2)c1[O-] ZINC000817418645 627897816 /nfs/dbraw/zinc/89/78/16/627897816.db2.gz AQGAEDGLVCKFIY-GFCCVEGCSA-N 0 3 313.825 3.039 20 10 DGCDHN CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1[O-] ZINC000817880391 627952628 /nfs/dbraw/zinc/95/26/28/627952628.db2.gz RNAHNRIXWXZKJN-GYSYKLTISA-N 0 3 324.852 3.053 20 10 DGCDHN C[C@H]([NH2+]CC1(N)CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817943156 627969349 /nfs/dbraw/zinc/96/93/49/627969349.db2.gz JOMUZDMXWBWWPV-LBPRGKRZSA-N 0 3 307.394 3.003 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)CC2 ZINC000926904085 627975153 /nfs/dbraw/zinc/97/51/53/627975153.db2.gz DODWSEYZSMIHAV-OUCADQQQSA-N 0 3 315.335 3.469 20 10 DGCDHN C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817971803 627980070 /nfs/dbraw/zinc/98/00/70/627980070.db2.gz QDQJFYTXGFMRHY-BBBLOLIVSA-N 0 3 303.233 3.490 20 10 DGCDHN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1[O-] ZINC000927017072 627998096 /nfs/dbraw/zinc/99/80/96/627998096.db2.gz VQGHJCUBEKIFAK-WBVHZDCISA-N 0 3 319.445 3.470 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1[O-] ZINC000927017066 627998181 /nfs/dbraw/zinc/99/81/81/627998181.db2.gz VQGHJCUBEKIFAK-DOTOQJQBSA-N 0 3 319.445 3.470 20 10 DGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c2c1c(F)ccc2[O-] ZINC000927059555 628005032 /nfs/dbraw/zinc/00/50/32/628005032.db2.gz DIBFOXNHKSHOQJ-KVOBGNBSSA-N 0 3 321.392 3.352 20 10 DGCDHN C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(F)ccc1[O-] ZINC000927139964 628024800 /nfs/dbraw/zinc/02/48/00/628024800.db2.gz PGTDINPANLASTM-AFBMGJRZSA-N 0 3 301.361 3.230 20 10 DGCDHN Cc1cc(O)c(C[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822210776 628429925 /nfs/dbraw/zinc/42/99/25/628429925.db2.gz QQUUQBOETKRETG-CYBMUJFWSA-N 0 3 323.400 3.040 20 10 DGCDHN Cc1cc(O)c(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822210776 628429927 /nfs/dbraw/zinc/42/99/27/628429927.db2.gz QQUUQBOETKRETG-CYBMUJFWSA-N 0 3 323.400 3.040 20 10 DGCDHN CC[C@](C)(C(=O)OC)N(Cc1cccc(C)c1O)CC1CC1 ZINC000822504329 628458111 /nfs/dbraw/zinc/45/81/11/628458111.db2.gz RZBQRXNIVNQNLB-GOSISDBHSA-N 0 3 305.418 3.254 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529821 628462085 /nfs/dbraw/zinc/46/20/85/628462085.db2.gz JTJTTZLJUSHRGD-KRWDZBQOSA-N 0 3 305.393 3.312 20 10 DGCDHN [O-]c1ccc(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529821 628462087 /nfs/dbraw/zinc/46/20/87/628462087.db2.gz JTJTTZLJUSHRGD-KRWDZBQOSA-N 0 3 305.393 3.312 20 10 DGCDHN Cc1cc([O-])c(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000824597657 628675795 /nfs/dbraw/zinc/67/57/95/628675795.db2.gz UBLOOAQFWKPONC-HNNXBMFYSA-N 0 3 308.853 3.414 20 10 DGCDHN C[C@H]1CN(Cc2ccccc2)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000824976529 628712461 /nfs/dbraw/zinc/71/24/61/628712461.db2.gz BVQQDCLIJLVWDL-KRWDZBQOSA-N 0 3 310.441 3.346 20 10 DGCDHN C[C@H]1CN(Cc2ccccc2)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000824976529 628712462 /nfs/dbraw/zinc/71/24/62/628712462.db2.gz BVQQDCLIJLVWDL-KRWDZBQOSA-N 0 3 310.441 3.346 20 10 DGCDHN COc1cccc([C@H]2C[C@H]([NH2+]Cc3c([O-])cccc3OC)C2)c1 ZINC000825090747 628726113 /nfs/dbraw/zinc/72/61/13/628726113.db2.gz GNFDBDAXKGLMFD-SHTZXODSSA-N 0 3 313.397 3.445 20 10 DGCDHN CCOc1ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC000825104177 628727848 /nfs/dbraw/zinc/72/78/48/628727848.db2.gz QEQXVQFTPDDVNC-DLBZAZTESA-N 0 3 305.418 3.180 20 10 DGCDHN CCOc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC000825104177 628727851 /nfs/dbraw/zinc/72/78/51/628727851.db2.gz QEQXVQFTPDDVNC-DLBZAZTESA-N 0 3 305.418 3.180 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000825197167 628737162 /nfs/dbraw/zinc/73/71/62/628737162.db2.gz UAOWQKDQCAFTFO-UHFFFAOYSA-N 0 3 315.388 3.413 20 10 DGCDHN CC[C@@H](COC)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000825297532 628747240 /nfs/dbraw/zinc/74/72/40/628747240.db2.gz HPTDVZNBVSBMDN-KRWDZBQOSA-N 0 3 315.413 3.486 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccccc1[O-] ZINC000825328135 628750300 /nfs/dbraw/zinc/75/03/00/628750300.db2.gz YMYXRSXRPADSSO-UKPHBRMFSA-N 0 3 315.417 3.087 20 10 DGCDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1ccccc1[O-] ZINC000825328130 628750437 /nfs/dbraw/zinc/75/04/37/628750437.db2.gz YMYXRSXRPADSSO-JLJPHGGASA-N 0 3 315.417 3.087 20 10 DGCDHN COc1cc(Cl)cc(CN[C@H]2C[C@H](O)c3ccccc32)c1O ZINC000827179387 628932721 /nfs/dbraw/zinc/93/27/21/628932721.db2.gz WLPYBWTVORZCEQ-GJZGRUSLSA-N 0 3 319.788 3.322 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c1[O-] ZINC000827179387 628932727 /nfs/dbraw/zinc/93/27/27/628932727.db2.gz WLPYBWTVORZCEQ-GJZGRUSLSA-N 0 3 319.788 3.322 20 10 DGCDHN CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000827750526 628988174 /nfs/dbraw/zinc/98/81/74/628988174.db2.gz IPDSLTVUSLSLKQ-AEFFLSMTSA-N 0 3 321.417 3.002 20 10 DGCDHN CC(C)(C)OC(=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000827757803 628988933 /nfs/dbraw/zinc/98/89/33/628988933.db2.gz NGDWDBVZQNKTMM-UHFFFAOYSA-N 0 3 309.381 3.133 20 10 DGCDHN CCOc1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([O-])c1 ZINC000827851251 628997080 /nfs/dbraw/zinc/99/70/80/628997080.db2.gz RVNOSCQQYCTCGJ-KDURUIRLSA-N 0 3 317.429 3.184 20 10 DGCDHN CCOc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([O-])c1 ZINC000827851251 628997083 /nfs/dbraw/zinc/99/70/83/628997083.db2.gz RVNOSCQQYCTCGJ-KDURUIRLSA-N 0 3 317.429 3.184 20 10 DGCDHN CCOc1ccc(CN2Cc3c[nH]nc3CC(C)(C)C2)c(O)c1 ZINC000828013377 629013879 /nfs/dbraw/zinc/01/38/79/629013879.db2.gz BWNQXNSSYZLMRA-UHFFFAOYSA-N 0 3 315.417 3.099 20 10 DGCDHN CCOC(=O)N[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CC(C)C ZINC000834502001 629718302 /nfs/dbraw/zinc/71/83/02/629718302.db2.gz LRVDSDWYFJKDIA-LSDHHAIUSA-N 0 3 320.433 3.130 20 10 DGCDHN CN(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834527093 629721045 /nfs/dbraw/zinc/72/10/45/629721045.db2.gz VEGFWCBHRTYRSW-ZWKOTPCHSA-N 0 3 310.441 3.142 20 10 DGCDHN COc1ccccc1OCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834566749 629729461 /nfs/dbraw/zinc/72/94/61/629729461.db2.gz RNVXRWLXIZPMNO-OAHLLOKOSA-N 0 3 313.397 3.447 20 10 DGCDHN COc1cccc(O[C@H](C)C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834602815 629739159 /nfs/dbraw/zinc/73/91/59/629739159.db2.gz VDAVMMYTIMYCQM-DYVFJYSZSA-N 0 3 313.397 3.445 20 10 DGCDHN Cc1cccn2cc(CC[NH2+][C@@H]3CCc4cccc([O-])c43)nc12 ZINC000834612491 629739639 /nfs/dbraw/zinc/73/96/39/629739639.db2.gz UJHZBYXJKOAZQB-MRXNPFEDSA-N 0 3 307.397 3.168 20 10 DGCDHN Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2=O)cc1 ZINC000834668242 629752583 /nfs/dbraw/zinc/75/25/83/629752583.db2.gz IXTNSKFOMBTWNA-IRXDYDNUSA-N 0 3 322.408 3.083 20 10 DGCDHN CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(C)C ZINC000834880246 629796011 /nfs/dbraw/zinc/79/60/11/629796011.db2.gz QDGFFTQOHKMATA-PPHDSNJXSA-N 0 3 322.424 3.172 20 10 DGCDHN CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(C)C ZINC000834880247 629796468 /nfs/dbraw/zinc/79/64/68/629796468.db2.gz QDGFFTQOHKMATA-ZUCKAHLUSA-N 0 3 322.424 3.172 20 10 DGCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@H](c3ccncc3)C1)CC2 ZINC000834895081 629800472 /nfs/dbraw/zinc/80/04/72/629800472.db2.gz XDLXYAVFJGGSSX-NUJGCVRESA-N 0 3 310.397 3.284 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCCc3c2cnn3C)cc1 ZINC000835036381 629830445 /nfs/dbraw/zinc/83/04/45/629830445.db2.gz PBGNKMOZLPTHEP-OOFWQKGWSA-N 0 3 310.445 3.167 20 10 DGCDHN CN(C)c1ccc(/C=C/CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000835038623 629831554 /nfs/dbraw/zinc/83/15/54/629831554.db2.gz BZTQTIZFAVOTBC-PXPVJAHISA-N 0 3 314.404 3.228 20 10 DGCDHN CN(C)c1ccc(/C=C/CNCc2cccc(N(C)C)n2)cc1 ZINC000835040502 629832165 /nfs/dbraw/zinc/83/21/65/629832165.db2.gz DKHWCTGUWPOWEJ-VOTSOKGWSA-N 0 3 310.445 3.017 20 10 DGCDHN CN(C)c1ccc(/C=C\CN2CC(C3CCOCC3)C2)cc1 ZINC000835049063 629835396 /nfs/dbraw/zinc/83/53/96/629835396.db2.gz FCNVJOBEEYSLMX-ARJAWSKDSA-N 0 3 300.446 3.124 20 10 DGCDHN CC(C)CN(Cc1cnn(C)c1)Cc1ccc(N(C)C)c(F)c1 ZINC000835076359 629845009 /nfs/dbraw/zinc/84/50/09/629845009.db2.gz HWMFAASUSXHFEI-UHFFFAOYSA-N 0 3 318.440 3.283 20 10 DGCDHN C[C@H](NCCCSc1nccs1)c1cc2n(n1)CCC2 ZINC000840722719 630352319 /nfs/dbraw/zinc/35/23/19/630352319.db2.gz KHQOQGAHSIGKGP-NSHDSACASA-N 0 3 308.476 3.119 20 10 DGCDHN CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1F ZINC000840958224 630384862 /nfs/dbraw/zinc/38/48/62/630384862.db2.gz OAZWMDABKJDGAZ-APWZRJJASA-N 0 3 314.404 3.200 20 10 DGCDHN CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000840974725 630389626 /nfs/dbraw/zinc/38/96/26/630389626.db2.gz NPASRXNIHKVXJF-CQSZACIVSA-N 0 3 312.413 3.062 20 10 DGCDHN CCOc1cccc(CN[C@H](CCO)c2ccccc2F)c1O ZINC000842762098 630573040 /nfs/dbraw/zinc/57/30/40/630573040.db2.gz ATIFEWZBJPDIJB-MRXNPFEDSA-N 0 3 319.376 3.143 20 10 DGCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCO[C@@H](c3cccnc3)C1)CC2 ZINC000842914351 630593096 /nfs/dbraw/zinc/59/30/96/630593096.db2.gz CUFVPPSNNNXLJO-SOLBZPMBSA-N 0 3 310.397 3.284 20 10 DGCDHN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000842929685 630594846 /nfs/dbraw/zinc/59/48/46/630594846.db2.gz RATPUXZZPKSVER-HZSPNIEDSA-N 0 3 324.852 3.005 20 10 DGCDHN [O-]c1ccc(Cl)c(F)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843046655 630608516 /nfs/dbraw/zinc/60/85/16/630608516.db2.gz YAUCBILNYDGJSE-CQSZACIVSA-N 0 3 312.816 3.149 20 10 DGCDHN CC[NH2+]CC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000843352576 630648890 /nfs/dbraw/zinc/64/88/90/630648890.db2.gz NVRPGNDOJWAQQV-UHFFFAOYSA-N 0 3 324.852 3.070 20 10 DGCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000843414538 630653552 /nfs/dbraw/zinc/65/35/52/630653552.db2.gz HXFCHFJBMMHOAT-ZFWWWQNUSA-N 0 3 305.418 3.192 20 10 DGCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000843414538 630653556 /nfs/dbraw/zinc/65/35/56/630653556.db2.gz HXFCHFJBMMHOAT-ZFWWWQNUSA-N 0 3 305.418 3.192 20 10 DGCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000843417079 630654248 /nfs/dbraw/zinc/65/42/48/630654248.db2.gz OWYDAMCQMQWXSM-NVXWUHKLSA-N 0 3 305.418 3.182 20 10 DGCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000843417079 630654250 /nfs/dbraw/zinc/65/42/50/630654250.db2.gz OWYDAMCQMQWXSM-NVXWUHKLSA-N 0 3 305.418 3.182 20 10 DGCDHN CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000843436237 630658911 /nfs/dbraw/zinc/65/89/11/630658911.db2.gz GGXAISQYSSYVTK-RISCZKNCSA-N 0 3 309.381 3.131 20 10 DGCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000844312065 630718187 /nfs/dbraw/zinc/71/81/87/630718187.db2.gz CDVJBKZDACZTJG-YJBOKZPZSA-N 0 3 324.424 3.234 20 10 DGCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000844312065 630718189 /nfs/dbraw/zinc/71/81/89/630718189.db2.gz CDVJBKZDACZTJG-YJBOKZPZSA-N 0 3 324.424 3.234 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000844911976 630977796 /nfs/dbraw/zinc/97/77/96/630977796.db2.gz QMFXELWNVAOWAU-INIZCTEOSA-N 0 3 300.377 3.438 20 10 DGCDHN COc1cccc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1O ZINC000846016631 631206217 /nfs/dbraw/zinc/20/62/17/631206217.db2.gz ZCFRTYMHQCWTNO-UHFFFAOYSA-N 0 3 319.298 3.267 20 10 DGCDHN CCOc1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)c([O-])c1 ZINC000846042691 631207745 /nfs/dbraw/zinc/20/77/45/631207745.db2.gz NPKRUABXOSDDFC-GOSISDBHSA-N 0 3 305.418 3.086 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1[O-] ZINC000848526955 631678071 /nfs/dbraw/zinc/67/80/71/631678071.db2.gz MXEVIKPKYFJZPP-KXUCPTDWSA-N 0 3 314.223 3.470 20 10 DGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC23CC3)c1[O-] ZINC000848553931 631690981 /nfs/dbraw/zinc/69/09/81/631690981.db2.gz RNBQOBXQODYQCL-QPUJVOFHSA-N 0 3 312.207 3.366 20 10 DGCDHN COc1ccc(CN[C@@H]2CCc3ccccc3NC2=O)cc1C ZINC000848561577 631693637 /nfs/dbraw/zinc/69/36/37/631693637.db2.gz ZIMNIBGXOSDSEO-QGZVFWFLSA-N 0 3 310.397 3.047 20 10 DGCDHN CCc1cccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000848916526 631784951 /nfs/dbraw/zinc/78/49/51/631784951.db2.gz WIFWFXLGNZRWHT-UHFFFAOYSA-N 0 3 324.424 3.218 20 10 DGCDHN CCc1cccc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c1[O-] ZINC000848919456 631786313 /nfs/dbraw/zinc/78/63/13/631786313.db2.gz LKUVVYFOLFYVAV-SFHVURJKSA-N 0 3 303.446 3.398 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1[O-] ZINC000848927800 631790669 /nfs/dbraw/zinc/79/06/69/631790669.db2.gz NUFZOEKVJKYSIN-LSDHHAIUSA-N 0 3 324.852 3.161 20 10 DGCDHN COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000848927451 631791451 /nfs/dbraw/zinc/79/14/51/631791451.db2.gz FOSKOKFTQDTGTD-AWEZNQCLSA-N 0 3 303.333 3.153 20 10 DGCDHN Cc1cc(O)c(CNc2ccc([C@H]3CNCCO3)cc2)cc1C ZINC000849352536 631901496 /nfs/dbraw/zinc/90/14/96/631901496.db2.gz NVWKJFQJNIRPAB-LJQANCHMSA-N 0 3 312.413 3.282 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(N)ccc32)c1[O-] ZINC000849352901 631901571 /nfs/dbraw/zinc/90/15/71/631901571.db2.gz SBLLAVCPRHNXOT-HNNXBMFYSA-N 0 3 318.804 3.414 20 10 DGCDHN Cc1cc(N(C)C)ccc1CNCc1c(C2CCC2)cnn1C ZINC000850138106 632063835 /nfs/dbraw/zinc/06/38/35/632063835.db2.gz AAZSGVGXPCVTPN-UHFFFAOYSA-N 0 3 312.461 3.352 20 10 DGCDHN CCOc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000850411587 632144452 /nfs/dbraw/zinc/14/44/52/632144452.db2.gz GCBXEDXFDFINGF-IFXJQAMLSA-N 0 3 315.413 3.045 20 10 DGCDHN Cc1ccc([C@@H](C)NCc2cnc(C(F)(F)F)nc2)c(O)c1 ZINC000850486313 632167825 /nfs/dbraw/zinc/16/78/25/632167825.db2.gz RXCOCJBYQVMRQA-SNVBAGLBSA-N 0 3 311.307 3.360 20 10 DGCDHN Cc1ccc([C@H](C)NCc2cnc(C(F)(F)F)nc2)c(O)c1 ZINC000850486311 632167967 /nfs/dbraw/zinc/16/79/67/632167967.db2.gz RXCOCJBYQVMRQA-JTQLQIEISA-N 0 3 311.307 3.360 20 10 DGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000850541155 632186977 /nfs/dbraw/zinc/18/69/77/632186977.db2.gz SMIQWOOIPHODIF-ZVZYQTTQSA-N 0 3 313.445 3.496 20 10 DGCDHN COc1cccc([C@H](C)NCc2c(C3CCC3)cnn2C)c1O ZINC000850552424 632190147 /nfs/dbraw/zinc/19/01/47/632190147.db2.gz WTHOJPAKRGQDBY-LBPRGKRZSA-N 0 3 315.417 3.253 20 10 DGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](OC)[C@@H]1CCOC1 ZINC000852017972 632540647 /nfs/dbraw/zinc/54/06/47/632540647.db2.gz IGAGRPNJRWPKLW-SJLPKXTDSA-N 0 3 307.434 3.046 20 10 DGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](OC)[C@@H]1CCOC1 ZINC000852017972 632540648 /nfs/dbraw/zinc/54/06/48/632540648.db2.gz IGAGRPNJRWPKLW-SJLPKXTDSA-N 0 3 307.434 3.046 20 10 DGCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000184912723 660194305 /nfs/dbraw/zinc/19/43/05/660194305.db2.gz WPFRTMZGJNHFHX-OAGGEKHMSA-N 0 3 320.477 3.239 20 10 DGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](O)Cc1ccccc1 ZINC000186148140 660270178 /nfs/dbraw/zinc/27/01/78/660270178.db2.gz ZRVABIVGMVORPY-VEVIJQCQSA-N 0 3 303.377 3.174 20 10 DGCDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000701914410 660691641 /nfs/dbraw/zinc/69/16/41/660691641.db2.gz FPVZLLLBCOQPSA-JSGCOSHPSA-N 0 3 320.433 3.225 20 10 DGCDHN COc1cc(Cl)cc(C[NH2+]CCc2cccc(C)n2)c1[O-] ZINC000793203713 661012652 /nfs/dbraw/zinc/01/26/52/661012652.db2.gz XSQZCXOPJIYAMQ-UHFFFAOYSA-N 0 3 306.793 3.090 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cc(C)c(OC)c(C)c2)c([O-])c1 ZINC000793389053 661029125 /nfs/dbraw/zinc/02/91/25/661029125.db2.gz UNTDMOZBNGQMLB-UHFFFAOYSA-N 0 3 301.386 3.316 20 10 DGCDHN COc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)c([O-])c1 ZINC000793387472 661029311 /nfs/dbraw/zinc/02/93/11/661029311.db2.gz FESYJLUMSGCBRQ-UHFFFAOYSA-N 0 3 306.431 3.445 20 10 DGCDHN C[C@H]1C[C@H]([NH2+]Cc2cnc3n2CCCC3)c2c1c(F)ccc2[O-] ZINC000793566234 661046271 /nfs/dbraw/zinc/04/62/71/661046271.db2.gz SPQDRZPCXPHACJ-FZMZJTMJSA-N 0 3 315.392 3.402 20 10 DGCDHN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000793610339 661049705 /nfs/dbraw/zinc/04/97/05/661049705.db2.gz UIFQCZDTRNGWHF-UHFFFAOYSA-N 0 3 319.767 3.393 20 10 DGCDHN COc1cc(C)cc(CN2Cc3ccccc3O[C@@H](C)C2)c1O ZINC000793778175 661056926 /nfs/dbraw/zinc/05/69/26/661056926.db2.gz BEUNDUWFNMQVLO-AWEZNQCLSA-N 0 3 313.397 3.492 20 10 DGCDHN CC[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccc(C)cc1[O-] ZINC000794796032 661105766 /nfs/dbraw/zinc/10/57/66/661105766.db2.gz RHAHTJVVFPOKFH-OAHLLOKOSA-N 0 3 310.401 3.027 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000794802340 661105977 /nfs/dbraw/zinc/10/59/77/661105977.db2.gz DZWTXDVAJCKNRY-OCCSQVGLSA-N 0 3 316.367 3.378 20 10 DGCDHN CC[C@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794804001 661106090 /nfs/dbraw/zinc/10/60/90/661106090.db2.gz LIEKDDAXPFMKFO-KRWDZBQOSA-N 0 3 312.413 3.058 20 10 DGCDHN CC[C@@H](N[C@@H](CO)c1ccccc1OC)c1ccc(C)cc1O ZINC000794812508 661106542 /nfs/dbraw/zinc/10/65/42/661106542.db2.gz WSDYQUULWQFEKZ-SJORKVTESA-N 0 3 315.413 3.484 20 10 DGCDHN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794810552 661106571 /nfs/dbraw/zinc/10/65/71/661106571.db2.gz LUVWSAZWJZNEKO-WMLDXEAASA-N 0 3 303.402 3.186 20 10 DGCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000794817807 661107004 /nfs/dbraw/zinc/10/70/04/661107004.db2.gz RATNKTMYFSUKPP-HIFRSBDPSA-N 0 3 304.434 3.141 20 10 DGCDHN COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000176981141 655970803 /nfs/dbraw/zinc/97/08/03/655970803.db2.gz BIJCVLASEBSJIZ-LLVKDONJSA-N 0 3 305.349 3.399 20 10 DGCDHN Cc1ccc([C@@H](C)[NH2+]CCCOCC2CCOCC2)c([O-])c1 ZINC000185520392 656127335 /nfs/dbraw/zinc/12/73/35/656127335.db2.gz GHFRAPKNTMBLIC-OAHLLOKOSA-N 0 3 307.434 3.185 20 10 DGCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccccc1OC(F)F ZINC000188989526 656150309 /nfs/dbraw/zinc/15/03/09/656150309.db2.gz YJTYRYDPEITLJU-UHFFFAOYSA-N 0 3 311.303 3.465 20 10 DGCDHN Cc1cncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000181827757 656385377 /nfs/dbraw/zinc/38/53/77/656385377.db2.gz XHUUFXCZXHKAEO-INIZCTEOSA-N 0 3 311.429 3.077 20 10 DGCDHN C[C@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000724925209 656530441 /nfs/dbraw/zinc/53/04/41/656530441.db2.gz JUODFVNZULHSHF-AAEUAGOBSA-N 0 3 324.396 3.191 20 10 DGCDHN C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000228792505 656857631 /nfs/dbraw/zinc/85/76/31/656857631.db2.gz MTXOBJCILKRUEW-ZDUSSCGKSA-N 0 3 320.433 3.442 20 10 DGCDHN Cc1cscc1CNCc1ccc(N2CCOCC2)cc1 ZINC000094878258 656912218 /nfs/dbraw/zinc/91/22/18/656912218.db2.gz BSJKMBJCFDRYOI-UHFFFAOYSA-N 0 3 302.443 3.183 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(C#N)cc1 ZINC000305056790 657670108 /nfs/dbraw/zinc/67/01/08/657670108.db2.gz CUMYGJFMKFCUIZ-LJQANCHMSA-N 0 3 310.397 3.209 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(C#N)cc1 ZINC000305056790 657670112 /nfs/dbraw/zinc/67/01/12/657670112.db2.gz CUMYGJFMKFCUIZ-LJQANCHMSA-N 0 3 310.397 3.209 20 10 DGCDHN Nc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000323776930 658882537 /nfs/dbraw/zinc/88/25/37/658882537.db2.gz BVOYVBLDOQNOLL-UHFFFAOYSA-N 0 3 324.428 3.009 20 10 DGCDHN C[C@H](c1ccncc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000173479550 659388083 /nfs/dbraw/zinc/38/80/83/659388083.db2.gz LRBGLUOBMIZUPY-MRXNPFEDSA-N 0 3 311.429 3.111 20 10 DGCDHN CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000187685768 661902521 /nfs/dbraw/zinc/90/25/21/661902521.db2.gz LINNNGUVMCMTSS-UONOGXRCSA-N 0 3 320.433 3.300 20 10 DGCDHN CC[C@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000189999047 662001142 /nfs/dbraw/zinc/00/11/42/662001142.db2.gz SHTGTISOAGFANH-JSGCOSHPSA-N 0 3 308.422 3.346 20 10 DGCDHN C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000192691152 662108293 /nfs/dbraw/zinc/10/82/93/662108293.db2.gz NZWSQZBVPWHDDZ-WDEREUQCSA-N 0 3 312.385 3.095 20 10 DGCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC=CO1 ZINC000248741483 662358127 /nfs/dbraw/zinc/35/81/27/662358127.db2.gz AENZKKSRNXWOJH-IAGOWNOFSA-N 0 3 303.402 3.066 20 10 DGCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC=CO1 ZINC000248741483 662358130 /nfs/dbraw/zinc/35/81/30/662358130.db2.gz AENZKKSRNXWOJH-IAGOWNOFSA-N 0 3 303.402 3.066 20 10 DGCDHN CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]Cc1ccccc1[O-] ZINC000380928649 685153627 /nfs/dbraw/zinc/15/36/27/685153627.db2.gz DRXNMXJQIMKEDC-UHFFFAOYSA-N 0 3 308.422 3.175 20 10 DGCDHN CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000391724911 685211620 /nfs/dbraw/zinc/21/16/20/685211620.db2.gz GCVGCMXWSRLAQY-HNNXBMFYSA-N 0 3 316.445 3.006 20 10 DGCDHN CCN(C)C(=O)[C@@H](NCc1c(C)c2ccccc2n1C)C(C)C ZINC001620944400 1192640451 /nfs/dbraw/zinc/64/04/51/1192640451.db2.gz PBKXSXJBCWYZGQ-SFHVURJKSA-N 0 3 315.461 3.079 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001665312957 1197121070 /nfs/dbraw/zinc/12/10/70/1197121070.db2.gz SFXORUWOONJQQG-ZDUSSCGKSA-N 0 3 308.422 3.046 20 10 DGCDHN CCN(Cc1ccc(N)cc1)Cc1ccc(OC)cc1OC ZINC001334774781 1178794980 /nfs/dbraw/zinc/79/49/80/1178794980.db2.gz NUYJIECKPSIPST-UHFFFAOYSA-N 0 3 300.402 3.308 20 10 DGCDHN COc1ccc(CN[C@@H](C)c2cnc(C)s2)c(O)c1OC ZINC001335549883 1178929218 /nfs/dbraw/zinc/92/92/18/1178929218.db2.gz HCZJGPDWEFTCDB-VIFPVBQESA-N 0 3 308.403 3.025 20 10 DGCDHN COc1cccc([O-])c1C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001341539757 1179024513 /nfs/dbraw/zinc/02/45/13/1179024513.db2.gz LMQOGVRQRKHGHE-UHFFFAOYSA-N 0 3 312.413 3.477 20 10 DGCDHN CCC(=O)Nc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC001461056453 1182762808 /nfs/dbraw/zinc/76/28/08/1182762808.db2.gz CMTWGPZKIFNRLY-UHFFFAOYSA-N 0 3 310.397 3.260 20 10 DGCDHN CC(C)c1ccc(O)c(CN2C[C@@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC001462179273 1182918757 /nfs/dbraw/zinc/91/87/57/1182918757.db2.gz NACHXLOEFQMLTE-ZRGWGRIASA-N 0 3 319.445 3.284 20 10 DGCDHN CC(C)c1ccc(O)c(CN2C[C@@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC001462179259 1182919241 /nfs/dbraw/zinc/91/92/41/1182919241.db2.gz NACHXLOEFQMLTE-CLCXKQKWSA-N 0 3 319.445 3.284 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC001462252386 1182929013 /nfs/dbraw/zinc/92/90/13/1182929013.db2.gz VGNKDRVEIKTTEE-IRXDYDNUSA-N 0 3 305.418 3.099 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC001462252386 1182929014 /nfs/dbraw/zinc/92/90/14/1182929014.db2.gz VGNKDRVEIKTTEE-IRXDYDNUSA-N 0 3 305.418 3.099 20 10 DGCDHN C[NH+](C)[C@H]1CCc2ccccc2N(Cc2cccc(F)c2[O-])C1 ZINC001462425360 1182950360 /nfs/dbraw/zinc/95/03/60/1182950360.db2.gz JGTBFOPDCORZFX-INIZCTEOSA-N 0 3 314.404 3.414 20 10 DGCDHN C[C@@H](NCc1cc(-c2ccccn2)n[nH]1)c1ccc(N(C)C)cc1 ZINC001474116685 1183870418 /nfs/dbraw/zinc/87/04/18/1183870418.db2.gz CDGSXYXPAJOJOF-CQSZACIVSA-N 0 3 321.428 3.389 20 10 DGCDHN CO[C@@H](C)CN(Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001474316950 1183903954 /nfs/dbraw/zinc/90/39/54/1183903954.db2.gz GWYMCRUDRXZCJW-LBPRGKRZSA-N 0 3 300.393 3.276 20 10 DGCDHN COc1cc(C)c(C[N@H+](C)[C@H](CCO)c2ccccc2)c([O-])c1 ZINC001474326050 1183905025 /nfs/dbraw/zinc/90/50/25/1183905025.db2.gz SZKCYMCESWTWPZ-GOSISDBHSA-N 0 3 315.413 3.265 20 10 DGCDHN COc1cc(C)c(C[N@@H+](C)[C@H](CCO)c2ccccc2)c([O-])c1 ZINC001474326050 1183905027 /nfs/dbraw/zinc/90/50/27/1183905027.db2.gz SZKCYMCESWTWPZ-GOSISDBHSA-N 0 3 315.413 3.265 20 10 DGCDHN CC(C)c1ccc(O)c(CN2CCN(c3ccccn3)CC2)c1 ZINC001474404984 1183915731 /nfs/dbraw/zinc/91/57/31/1183915731.db2.gz XZDVPKPFJQTVHY-UHFFFAOYSA-N 0 3 311.429 3.233 20 10 DGCDHN Cc1ccc(NC(=O)C[NH2+]Cc2cc(F)ccc2[O-])c(Cl)c1 ZINC001474590476 1183945917 /nfs/dbraw/zinc/94/59/17/1183945917.db2.gz AYKCCQHWFBTMHT-UHFFFAOYSA-N 0 3 322.767 3.221 20 10 DGCDHN COc1cc(C)c(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c([O-])c1 ZINC001474640906 1183954516 /nfs/dbraw/zinc/95/45/16/1183954516.db2.gz GRERQAHOCKUBOF-SNVBAGLBSA-N 0 3 304.217 3.383 20 10 DGCDHN CCC[C@@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539235058 1188183456 /nfs/dbraw/zinc/18/34/56/1188183456.db2.gz JXWCPMSPSRYDJQ-QAPCUYQASA-N 0 3 319.493 3.298 20 10 DGCDHN CCC[C@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001539707380 1188200347 /nfs/dbraw/zinc/20/03/47/1188200347.db2.gz RCXHWQOUAIWBBG-MAUKXSAKSA-N 0 3 319.493 3.298 20 10 DGCDHN Cc1ccsc1[C@@H](CO)NCc1ccc(N2CCCC2)cc1 ZINC001560364851 1189319726 /nfs/dbraw/zinc/31/97/26/1189319726.db2.gz AAESJBRPKQMIQI-QGZVFWFLSA-N 0 3 316.470 3.480 20 10 DGCDHN [O-]c1cc(Cl)ccc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC001560645998 1189354059 /nfs/dbraw/zinc/35/40/59/1189354059.db2.gz LXZAOPUHPJYVPY-INIZCTEOSA-N 0 3 308.853 3.496 20 10 DGCDHN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001560679238 1189359522 /nfs/dbraw/zinc/35/95/22/1189359522.db2.gz GYLQPKSCKBTJSQ-WBVHZDCISA-N 0 3 318.461 3.217 20 10 DGCDHN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001560679238 1189359525 /nfs/dbraw/zinc/35/95/25/1189359525.db2.gz GYLQPKSCKBTJSQ-WBVHZDCISA-N 0 3 318.461 3.217 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)c([O-])c1 ZINC001560710708 1189365163 /nfs/dbraw/zinc/36/51/63/1189365163.db2.gz SHJPHMIZDYJKTK-MNQCNDSGSA-N 0 3 305.418 3.112 20 10 DGCDHN Cc1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c([O-])c1 ZINC001560710532 1189365962 /nfs/dbraw/zinc/36/59/62/1189365962.db2.gz NURCVCVCUFVBKU-INIZCTEOSA-N 0 3 305.418 3.256 20 10 DGCDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001560890703 1189401062 /nfs/dbraw/zinc/40/10/62/1189401062.db2.gz ONENTSLGQRSSKN-TZMCWYRMSA-N 0 3 323.408 3.331 20 10 DGCDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001560890703 1189401064 /nfs/dbraw/zinc/40/10/64/1189401064.db2.gz ONENTSLGQRSSKN-TZMCWYRMSA-N 0 3 323.408 3.331 20 10 DGCDHN COc1cc(C)c(C[NH2+]Cc2c(C)cc(CO)cc2C)c([O-])c1 ZINC001561015212 1189420558 /nfs/dbraw/zinc/42/05/58/1189420558.db2.gz OCASIBUPDZFOQK-UHFFFAOYSA-N 0 3 315.413 3.108 20 10 DGCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001621257288 1193823684 /nfs/dbraw/zinc/82/36/84/1193823684.db2.gz IXQQKOQORQLIKL-OAHLLOKOSA-N 0 3 320.433 3.190 20 10 DGCDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001621399757 1193837676 /nfs/dbraw/zinc/83/76/76/1193837676.db2.gz OWXUNHSKEKHGET-OLZOCXBDSA-N 0 3 323.408 3.474 20 10 DGCDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC001621399757 1193837678 /nfs/dbraw/zinc/83/76/78/1193837678.db2.gz OWXUNHSKEKHGET-OLZOCXBDSA-N 0 3 323.408 3.474 20 10 DGCDHN Cc1ccc(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001621451607 1193844323 /nfs/dbraw/zinc/84/43/23/1193844323.db2.gz YWEFCJDZVAUBED-GOSISDBHSA-N 0 3 320.433 3.190 20 10 DGCDHN CCCC[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001627464619 1194130389 /nfs/dbraw/zinc/13/03/89/1194130389.db2.gz PCVZWPLLLMKOJS-YJBOKZPZSA-N 0 3 319.493 3.298 20 10 DGCDHN CCCCN(Cc1ccccc1O)C(=O)CN(C)CC(C)(C)C ZINC001639522910 1194769787 /nfs/dbraw/zinc/76/97/87/1194769787.db2.gz ZTRCOLNVXIGJGH-UHFFFAOYSA-N 0 3 320.477 3.499 20 10 DGCDHN CN(C)c1ccc(/C=C\CN[C@H]2CCCCC23OCCO3)cc1 ZINC001653246669 1195703131 /nfs/dbraw/zinc/70/31/31/1195703131.db2.gz WFDYNENSTHWBKM-XFHJGTJQSA-N 0 3 316.445 3.041 20 10 DGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@](O)(CC)C(F)(F)F ZINC001653476046 1195726619 /nfs/dbraw/zinc/72/66/19/1195726619.db2.gz NNHMNQAFZUQPQZ-CQSZACIVSA-N 0 3 305.340 3.308 20 10 DGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@](O)(CC)C(F)(F)F ZINC001653476046 1195726621 /nfs/dbraw/zinc/72/66/21/1195726621.db2.gz NNHMNQAFZUQPQZ-CQSZACIVSA-N 0 3 305.340 3.308 20 10 DGCDHN COc1ccc(N2CCN(CCCC3CCC3)CC2)c(OC)c1 ZINC001655378900 1195909959 /nfs/dbraw/zinc/90/99/59/1195909959.db2.gz RSMBQYRBNVXEBI-UHFFFAOYSA-N 0 3 318.461 3.406 20 10 DGCDHN CCCn1cc(CNCc2ccc3c(c2)CCCN3C)c(C)n1 ZINC001655446150 1195917991 /nfs/dbraw/zinc/91/79/91/1195917991.db2.gz PAZLMIVQGAWGKR-UHFFFAOYSA-N 0 3 312.461 3.274 20 10 DGCDHN Fc1ccccc1-c1n[nH]cc1CNCc1ccc2c(c1)CCO2 ZINC001655477089 1195922397 /nfs/dbraw/zinc/92/23/97/1195922397.db2.gz ZLBQGVFOPSHDEB-UHFFFAOYSA-N 0 3 323.371 3.441 20 10 DGCDHN Cc1cn(C)nc1CNCCc1cc(C)n(-c2ccccc2)c1C ZINC001656734945 1196066599 /nfs/dbraw/zinc/06/65/99/1196066599.db2.gz BPUXYDNQLMYSMV-UHFFFAOYSA-N 0 3 322.456 3.468 20 10 DGCDHN CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC001659077457 1196341754 /nfs/dbraw/zinc/34/17/54/1196341754.db2.gz WYYYWBWSKMCWMG-CQSZACIVSA-N 0 3 322.449 3.436 20 10 DGCDHN Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c([O-])c1 ZINC001659952183 1196431524 /nfs/dbraw/zinc/43/15/24/1196431524.db2.gz LAZMITWHJACKPF-APWZRJJASA-N 0 3 310.441 3.453 20 10 DGCDHN C[NH+](C)CC[C@@H](NCc1ccc(Cl)cc1[O-])c1cccnc1 ZINC001660741970 1196517887 /nfs/dbraw/zinc/51/78/87/1196517887.db2.gz FXSSQZKJUKDCTO-MRXNPFEDSA-N 0 3 319.836 3.223 20 10 DGCDHN CN(Cc1cc(Cl)cc(F)c1[O-])CC(C)(C)C[NH+](C)C ZINC001660849858 1196534848 /nfs/dbraw/zinc/53/48/48/1196534848.db2.gz DQKBNEZGTIMUPH-UHFFFAOYSA-N 0 3 302.821 3.204 20 10 DGCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1-n1cncn1 ZINC001663184532 1196807803 /nfs/dbraw/zinc/80/78/03/1196807803.db2.gz KDUKQFYWTIOMPR-AWEZNQCLSA-N 0 3 308.385 3.132 20 10 DGCDHN CC(C)c1ccc(O)c(CN2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC001664305868 1196988662 /nfs/dbraw/zinc/98/86/62/1196988662.db2.gz ROUKEHOVVUXBDC-AWEZNQCLSA-N 0 3 303.324 3.015 20 10 DGCDHN CCCC[C@H](CC)COC[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000318300619 1199830144 /nfs/dbraw/zinc/83/01/44/1199830144.db2.gz NOUPBPAQTZNHIC-RDJZCZTQSA-N 0 3 309.450 3.076 20 10 DGCDHN CCOc1ccc2c(c1)CN(Cc1cc(OC)ccc1O)CC2 ZINC000179911805 1204324188 /nfs/dbraw/zinc/32/41/88/1204324188.db2.gz FDYLXNAJVOQODS-UHFFFAOYSA-N 0 3 313.397 3.358 20 10 DGCDHN