smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)c(CN2CCOC[C@@](O)(C(F)(F)F)C2)c1O ZINC001140178826 776880478 /nfs/dbraw/zinc/88/04/78/776880478.db2.gz ZBRYJCXITMFLMV-CQSZACIVSA-N 0 1 319.323 2.135 20 10 DECDMN C[C@H](CC[S@@](C)=O)[NH2+]Cc1c([O-])cccc1Br ZINC000706834268 778030729 /nfs/dbraw/zinc/03/07/29/778030729.db2.gz RAOKJOOSGUUXAJ-VVVCHXIZSA-N 0 1 320.252 2.401 20 10 DECDMN NCc1ncc(NCc2cc(Br)ccc2O)cn1 ZINC001171177868 790896260 /nfs/dbraw/zinc/89/62/60/790896260.db2.gz LHRMHQDOOICRHU-UHFFFAOYSA-N 0 1 309.167 2.016 20 10 DECDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000691417244 784585303 /nfs/dbraw/zinc/58/53/03/784585303.db2.gz UZBWCJDKCVYDCB-JOYOIKCWSA-N 0 1 300.196 2.405 20 10 DECDMN C[C@](O)(C[NH2+]Cc1ccc(Br)cc1[O-])C1CC1 ZINC000691417688 784585920 /nfs/dbraw/zinc/58/59/20/784585920.db2.gz WNPBLAPFCFMZSC-ZDUSSCGKSA-N 0 1 300.196 2.405 20 10 DECDMN Oc1ccc(CNc2cc(O[C@@H]3CCOC3)ccn2)cc1O ZINC001169996638 785836340 /nfs/dbraw/zinc/83/63/40/785836340.db2.gz DQDDJBSKRCGNEB-CYBMUJFWSA-N 0 1 302.330 2.273 20 10 DECDMN CC[C@@H]([NH2+]Cc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1O ZINC001118933905 795240211 /nfs/dbraw/zinc/24/02/11/795240211.db2.gz VPJFKVHSVLKFDK-CYBMUJFWSA-N 0 1 315.373 2.201 20 10 DECDMN COC1(C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C(=O)[O-])CCC1 ZINC001119612246 795329910 /nfs/dbraw/zinc/32/99/10/795329910.db2.gz YIHZNONCBCRLGU-LBPRGKRZSA-N 0 1 315.316 2.172 20 10 DECDMN [O-]c1c(C[NH2+]C2CN(c3ccncn3)C2)ccc2ccccc21 ZINC001183441919 795874986 /nfs/dbraw/zinc/87/49/86/795874986.db2.gz BIZKPPOCWRDMGZ-UHFFFAOYSA-N 0 1 306.369 2.314 20 10 DECDMN Cc1ccnc(O[C@H]2CC[N@@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC001138130890 796167209 /nfs/dbraw/zinc/16/72/09/796167209.db2.gz KJRBWUBWJBWOSF-ZDUSSCGKSA-N 0 1 303.337 2.283 20 10 DECDMN CC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC001138499641 796228075 /nfs/dbraw/zinc/22/80/75/796228075.db2.gz XBWZERFGWPFION-SFHVURJKSA-N 0 1 302.418 2.467 20 10 DECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001139126771 796328218 /nfs/dbraw/zinc/32/82/18/796328218.db2.gz PTMZGFKENHJGBM-DZGCQCFKSA-N 0 1 321.348 2.102 20 10 DECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001139127426 796329315 /nfs/dbraw/zinc/32/93/15/796329315.db2.gz VZZDYQRJRSUALK-TXEJJXNPSA-N 0 1 301.342 2.170 20 10 DECDMN CC[C@@H]1COCC[N@H+]1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139132096 796331096 /nfs/dbraw/zinc/33/10/96/796331096.db2.gz TVXOFRQXDIPLDB-GFCCVEGCSA-N 0 1 303.358 2.418 20 10 DECDMN C[C@H]1C[C@@H](CO)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001140098735 796477293 /nfs/dbraw/zinc/47/72/93/796477293.db2.gz KULCGCWSEJBMEO-UWVGGRQHSA-N 0 1 300.196 2.357 20 10 DECDMN C[C@H]1C[C@@H](CO)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001140098735 796477295 /nfs/dbraw/zinc/47/72/95/796477295.db2.gz KULCGCWSEJBMEO-UWVGGRQHSA-N 0 1 300.196 2.357 20 10 DECDMN CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cc(F)cc1F ZINC001140581690 796541057 /nfs/dbraw/zinc/54/10/57/796541057.db2.gz XPVUMLIFAKGNKK-INIZCTEOSA-N 0 1 310.344 2.257 20 10 DECDMN CCOC(=O)[C@H]1CSCCN1Cc1c(O)cc(F)cc1F ZINC001140584026 796541902 /nfs/dbraw/zinc/54/19/02/796541902.db2.gz CYHWAEIAABXFMD-GFCCVEGCSA-N 0 1 317.357 2.151 20 10 DECDMN CCOCc1nnn2c1C[N@@H+](Cc1cc(C)ccc1O)CCC2 ZINC001140620109 796546435 /nfs/dbraw/zinc/54/64/35/796546435.db2.gz CLCVHNOGVFRRST-UHFFFAOYSA-N 0 1 316.405 2.235 20 10 DECDMN CCOCc1nnn2c1CN(Cc1cc(C)ccc1O)CCC2 ZINC001140620109 796546441 /nfs/dbraw/zinc/54/64/41/796546441.db2.gz CLCVHNOGVFRRST-UHFFFAOYSA-N 0 1 316.405 2.235 20 10 DECDMN CO[C@@H](C)C1CN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140667062 796553446 /nfs/dbraw/zinc/55/34/46/796553446.db2.gz HGKOHMRFPNOAKC-ZDUSSCGKSA-N 0 1 308.397 2.129 20 10 DECDMN CCN(CC)c1ccc(CN2CCC[C@@H]2C(=O)OC)c(O)c1 ZINC001140850226 796582893 /nfs/dbraw/zinc/58/28/93/796582893.db2.gz HCEGQLKOTJPULF-OAHLLOKOSA-N 0 1 306.406 2.376 20 10 DECDMN Cc1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)c(O)c1 ZINC001140958161 796607068 /nfs/dbraw/zinc/60/70/68/796607068.db2.gz SWDURUMIMCSBDH-UHFFFAOYSA-N 0 1 318.808 2.466 20 10 DECDMN CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(O)ccc1O ZINC001141161749 796643043 /nfs/dbraw/zinc/64/30/43/796643043.db2.gz WTQJTEKRJURZLC-PJODQICGSA-N 0 1 305.374 2.261 20 10 DECDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2c[nH]nn2)c1 ZINC001154600699 797571857 /nfs/dbraw/zinc/57/18/57/797571857.db2.gz JLGYVFPYNQPMRT-UHFFFAOYSA-N 0 1 309.329 2.277 20 10 DECDMN O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(O)c(O)c(Cl)c1 ZINC001193625972 797595144 /nfs/dbraw/zinc/59/51/44/797595144.db2.gz QGYPWJVHAKBCJK-NSHDSACASA-N 0 1 319.744 2.485 20 10 DECDMN CC1(C)CN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@](C)(CO)C1 ZINC001193605763 797601951 /nfs/dbraw/zinc/60/19/51/797601951.db2.gz KHKICKSIERQGGA-OAHLLOKOSA-N 0 1 313.781 2.374 20 10 DECDMN Oc1cc(O)c(CCNc2nc3[nH]cnc3cc2Cl)cc1O ZINC001157246138 798170267 /nfs/dbraw/zinc/17/02/67/798170267.db2.gz QWROSVFGSKKJKO-UHFFFAOYSA-N 0 1 320.736 2.383 20 10 DECDMN COc1ccc(O)c(C[N@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c1 ZINC001203681084 800105119 /nfs/dbraw/zinc/10/51/19/800105119.db2.gz OOGVUWXEBIPJCO-AWEZNQCLSA-N 0 1 321.421 2.073 20 10 DECDMN CC(C)C(=O)N1CC[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203876336 800138493 /nfs/dbraw/zinc/13/84/93/800138493.db2.gz AIAOGYDFZGFHKR-CABCVRRESA-N 0 1 318.417 2.177 20 10 DECDMN CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203878047 800138683 /nfs/dbraw/zinc/13/86/83/800138683.db2.gz PAKJOUJEAGDEES-JYAVWHMHSA-N 0 1 320.389 2.053 20 10 DECDMN CCOC(=O)N1CCC([N@@H+](C)Cc2ccc(O)cc2O)CC1 ZINC001204278774 800200882 /nfs/dbraw/zinc/20/08/82/800200882.db2.gz JVMDKJOQLMQVLG-UHFFFAOYSA-N 0 1 308.378 2.151 20 10 DECDMN CCOC(=O)N1CCC([N@H+](C)Cc2ccc(O)cc2[O-])CC1 ZINC001204278774 800200886 /nfs/dbraw/zinc/20/08/86/800200886.db2.gz JVMDKJOQLMQVLG-UHFFFAOYSA-N 0 1 308.378 2.151 20 10 DECDMN CCOC(=O)N1CCC([N@@H+](C)Cc2ccc(O)cc2[O-])CC1 ZINC001204278774 800200890 /nfs/dbraw/zinc/20/08/90/800200890.db2.gz JVMDKJOQLMQVLG-UHFFFAOYSA-N 0 1 308.378 2.151 20 10 DECDMN OC[C@@H]1C[C@@H]2OCCN(Cc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC001204323851 800204310 /nfs/dbraw/zinc/20/43/10/800204310.db2.gz JHRBBNBPWHLNFB-WDSOQIARSA-N 0 1 316.445 2.259 20 10 DECDMN c1cc(N2CCCC2)ccc1CN1CCO[C@@]2(CCOC2)C1 ZINC001204323325 800204491 /nfs/dbraw/zinc/20/44/91/800204491.db2.gz GYQDMUUDGTXVFN-SFHVURJKSA-N 0 1 302.418 2.278 20 10 DECDMN OC[C@@H]1C[C@H]2OCCN(Cc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC001204323855 800204525 /nfs/dbraw/zinc/20/45/25/800204525.db2.gz JHRBBNBPWHLNFB-YTQUADARSA-N 0 1 316.445 2.259 20 10 DECDMN COC1(C)CN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337821 800862218 /nfs/dbraw/zinc/86/22/18/800862218.db2.gz CUYWPWZDKMFVPB-UHFFFAOYSA-N 0 1 302.418 2.312 20 10 DECDMN COc1ccc(N2CCN(Cc3cnccc3N)CC2)c(C)c1 ZINC001209733430 801268125 /nfs/dbraw/zinc/26/81/25/801268125.db2.gz WZIYIMJHQIHXHL-UHFFFAOYSA-N 0 1 312.417 2.133 20 10 DECDMN C[N@@H+](C1CC1)C1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566274 801688427 /nfs/dbraw/zinc/68/84/27/801688427.db2.gz WANUCFVZJAPLEY-UHFFFAOYSA-N 0 1 304.390 2.149 20 10 DECDMN Cc1cc(C)c(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001231841932 801735579 /nfs/dbraw/zinc/73/55/79/801735579.db2.gz HKJABAOHABAJCC-CQSZACIVSA-N 0 1 319.323 2.135 20 10 DECDMN Cc1cc(C)c(CN2CCOC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001231841932 801735586 /nfs/dbraw/zinc/73/55/86/801735586.db2.gz HKJABAOHABAJCC-CQSZACIVSA-N 0 1 319.323 2.135 20 10 DECDMN COC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCCO1 ZINC001231883565 801743767 /nfs/dbraw/zinc/74/37/67/801743767.db2.gz PPHSVUMVELISGU-INIZCTEOSA-N 0 1 315.369 2.309 20 10 DECDMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCCO1 ZINC001231883565 801743774 /nfs/dbraw/zinc/74/37/74/801743774.db2.gz PPHSVUMVELISGU-INIZCTEOSA-N 0 1 315.369 2.309 20 10 DECDMN O=C1OCCC12CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232263573 801832552 /nfs/dbraw/zinc/83/25/52/801832552.db2.gz RWSYNKQGNIMNTC-UHFFFAOYSA-N 0 1 311.765 2.280 20 10 DECDMN COc1cc([O-])c(C[NH+]2CCC3(CCC(=O)N3)CC2)cc1Cl ZINC001232271162 801835868 /nfs/dbraw/zinc/83/58/68/801835868.db2.gz OKYQBUHCONQVKY-UHFFFAOYSA-N 0 1 324.808 2.299 20 10 DECDMN C[NH+](C)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCO1 ZINC001233416300 802111700 /nfs/dbraw/zinc/11/17/00/802111700.db2.gz CREHPPIWQUSNOY-LBPRGKRZSA-N 0 1 318.339 2.173 20 10 DECDMN COc1ccc2ccc(O)c(CN3CC(N(C)C(C)=O)C3)c2c1 ZINC001234552675 802412487 /nfs/dbraw/zinc/41/24/87/802412487.db2.gz FOKHRSWEVRHBPG-UHFFFAOYSA-N 0 1 314.385 2.217 20 10 DECDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CN)o1 ZINC000316512249 802513623 /nfs/dbraw/zinc/51/36/23/802513623.db2.gz XCULFPQNOLHBEL-UHFFFAOYSA-N 0 1 301.390 2.467 20 10 DECDMN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(N(C)C)cc3)C[C@H]1[N@H+]2C ZINC001227939337 803297751 /nfs/dbraw/zinc/29/77/51/803297751.db2.gz SKJKKSXCNSMPAO-OWLYRPNTSA-N 0 1 318.417 2.298 20 10 DECDMN CO[C@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC001331502944 1149488018 /nfs/dbraw/zinc/48/80/18/1149488018.db2.gz WPHOAMHZJONSJW-CYBMUJFWSA-N 0 1 319.279 2.274 20 10 DECDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)ccc1O ZINC000235604017 960466261 /nfs/dbraw/zinc/46/62/61/960466261.db2.gz ARXJNGVEDIMIQO-KWQFWETISA-N 0 1 314.179 2.450 20 10 DECDMN O=C([O-])[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CC1 ZINC000715762393 977781380 /nfs/dbraw/zinc/78/13/80/977781380.db2.gz KDHMWRFDWRZNHR-SNVBAGLBSA-N 0 1 318.142 2.247 20 10 DECDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)CC2(C)COC2)c1C(=O)[O-] ZINC001598506201 992506560 /nfs/dbraw/zinc/50/65/60/992506560.db2.gz YTPUTXJTDSTFPT-UHFFFAOYSA-N 0 1 320.364 2.484 20 10 DECDMN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC001599193178 997163483 /nfs/dbraw/zinc/16/34/83/997163483.db2.gz ZJWIASDSGGGZHG-OAHLLOKOSA-N 0 1 313.781 2.420 20 10 DECDMN CO[C@@H]1CCC[C@@H]([C@@H]([NH2+]Cc2cccc(F)c2O)C(=O)[O-])C1 ZINC001599109382 997539872 /nfs/dbraw/zinc/53/98/72/997539872.db2.gz PWIWRZMONDJYJC-MPKXVKKWSA-N 0 1 311.353 2.279 20 10 DECDMN CN(C)CC[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001606026085 1071024204 /nfs/dbraw/zinc/02/42/04/1071024204.db2.gz IODPEIKEONRCBL-UHFFFAOYSA-N 0 1 307.369 2.009 20 10 DECDMN CN(C)CC[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001606026085 1071024214 /nfs/dbraw/zinc/02/42/14/1071024214.db2.gz IODPEIKEONRCBL-UHFFFAOYSA-N 0 1 307.369 2.009 20 10 DECDMN COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001606601024 1071171734 /nfs/dbraw/zinc/17/17/34/1071171734.db2.gz BBLGDHVBVWIPLY-FOGDFJRCSA-N 0 1 307.346 2.083 20 10 DECDMN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](O)c2cnc[nH]2)cc1 ZINC001455744006 1057764603 /nfs/dbraw/zinc/76/46/03/1057764603.db2.gz DXCZXEKJRJMBMM-QGZVFWFLSA-N 0 1 324.384 2.281 20 10 DECDMN Cn1c(NC(=O)c2c(F)ccc(O)c2O)nc2ccccc21 ZINC001457985361 1058039842 /nfs/dbraw/zinc/03/98/42/1058039842.db2.gz ROCIAZACIAZBIZ-UHFFFAOYSA-N 0 1 301.277 2.376 20 10 DECDMN CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(O)c2O)n[nH]1 ZINC001469327486 1059936377 /nfs/dbraw/zinc/93/63/77/1059936377.db2.gz YJNQZKWPSWNSNE-UHFFFAOYSA-N 0 1 319.317 2.029 20 10 DECDMN O=C(NCc1cccc(O)c1O)c1ccc(CN2CCCC2)o1 ZINC001471642166 1060257682 /nfs/dbraw/zinc/25/76/82/1060257682.db2.gz MILAFVWKFSJDTK-UHFFFAOYSA-N 0 1 316.357 2.217 20 10 DECDMN Cc1ccc2[nH]cc(C(=O)NCc3ccccc3O)c(=O)c2c1 ZINC001472498986 1060523815 /nfs/dbraw/zinc/52/38/15/1060523815.db2.gz VGLRVXKJWSKPQM-UHFFFAOYSA-N 0 1 308.337 2.472 20 10 DECDMN CCC[N@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC001474470187 1060874643 /nfs/dbraw/zinc/87/46/43/1060874643.db2.gz BHOQTFLUDBTMLL-GFCCVEGCSA-N 0 1 310.781 2.015 20 10 DECDMN CCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC001474470187 1060874653 /nfs/dbraw/zinc/87/46/53/1060874653.db2.gz BHOQTFLUDBTMLL-GFCCVEGCSA-N 0 1 310.781 2.015 20 10 DECDMN O=C(NCc1ccc2cccnc2c1O)c1[nH]nc2c1CCC2 ZINC001570531320 1067990017 /nfs/dbraw/zinc/99/00/17/1067990017.db2.gz COOJRHTVEKUXJG-UHFFFAOYSA-N 0 1 308.341 2.082 20 10 DECDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1O ZINC001643745365 1078811868 /nfs/dbraw/zinc/81/18/68/1078811868.db2.gz MLWXXHVYLJRPLK-VIFPVBQESA-N 0 1 302.286 2.497 20 10 DECDMN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001235300264 1079011886 /nfs/dbraw/zinc/01/18/86/1079011886.db2.gz WISKFLKGPFXFHM-MNOVXSKESA-N 0 1 322.149 2.199 20 10 DECDMN [O-]c1c(Br)cc(F)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001235300264 1079011895 /nfs/dbraw/zinc/01/18/95/1079011895.db2.gz WISKFLKGPFXFHM-MNOVXSKESA-N 0 1 322.149 2.199 20 10 DECDMN CS(=O)(=O)C1(C[NH2+]Cc2ccc(Cl)cc2[O-])CCC1 ZINC001560797641 1075145965 /nfs/dbraw/zinc/14/59/65/1075145965.db2.gz KHNOPQFAOPWJIX-UHFFFAOYSA-N 0 1 303.811 2.103 20 10 DECDMN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(n1)CNCC2 ZINC001580708672 1075980018 /nfs/dbraw/zinc/98/00/18/1075980018.db2.gz XXRFRUHYSJFCTQ-UHFFFAOYSA-N 0 1 317.776 2.016 20 10 DECDMN Cc1cc(O)c(C[N@H+]2CCOC[C@H]2CC(=O)[O-])cc1C(C)C ZINC001610476157 1078026975 /nfs/dbraw/zinc/02/69/75/1078026975.db2.gz 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CN(C)CC[N@@H+](C)Cc1cc(F)cc(Br)c1[O-] ZINC001235297563 1084376030 /nfs/dbraw/zinc/37/60/30/1084376030.db2.gz NKDNOHLYPUAFDD-UHFFFAOYSA-N 0 1 305.191 2.287 20 10 DECDMN CCCNC(=O)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701116625 1086352961 /nfs/dbraw/zinc/35/29/61/1086352961.db2.gz HOBVSTPZHUMXGC-UHFFFAOYSA-N 0 1 315.211 2.161 20 10 DECDMN CON1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706842133 1086653433 /nfs/dbraw/zinc/65/34/33/1086653433.db2.gz NZHSUHCEHALMEW-UHFFFAOYSA-N 0 1 315.211 2.270 20 10 DECDMN C[N@@H+](CCC(N)=O)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708212705 1086677313 /nfs/dbraw/zinc/67/73/13/1086677313.db2.gz WYGKEOPLBYPHHM-UHFFFAOYSA-N 0 1 321.602 2.115 20 10 DECDMN CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001276358840 1089238941 /nfs/dbraw/zinc/23/89/41/1089238941.db2.gz BSXGDJYCOFAKET-SWLSCSKDSA-N 0 1 321.396 2.155 20 10 DECDMN O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000822187415 1090624079 /nfs/dbraw/zinc/62/40/79/1090624079.db2.gz AVBJDJXEISGAFL-LBPRGKRZSA-N 0 1 303.811 2.103 20 10 DECDMN CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1O ZINC001275913823 1092300397 /nfs/dbraw/zinc/30/03/97/1092300397.db2.gz RHWMDWCNJZNSCX-GASCZTMLSA-N 0 1 321.396 2.298 20 10 DECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)cc1Cl ZINC001274216373 1093855315 /nfs/dbraw/zinc/85/53/15/1093855315.db2.gz BUALZZGCHONMIN-INIZCTEOSA-N 0 1 308.809 2.408 20 10 DECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)cc1Cl ZINC001274216373 1093855323 /nfs/dbraw/zinc/85/53/23/1093855323.db2.gz BUALZZGCHONMIN-INIZCTEOSA-N 0 1 308.809 2.408 20 10 DECDMN COc1ccc(CN2CCc3ncncc3C2)c(O)c1Cl ZINC001236812262 1138436609 /nfs/dbraw/zinc/43/66/09/1138436609.db2.gz UJYGRKQBDSJLHZ-UHFFFAOYSA-N 0 1 305.765 2.403 20 10 DECDMN OC[C@@H]1C[C@@H](F)CN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237053193 1138491369 /nfs/dbraw/zinc/49/13/69/1138491369.db2.gz HSCLHMJFCDVWOO-MNOVXSKESA-N 0 1 323.286 2.238 20 10 DECDMN Oc1cccc(OC(F)(F)F)c1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001237124522 1138508909 /nfs/dbraw/zinc/50/89/09/1138508909.db2.gz CETLOIRLYYJRKO-SNVBAGLBSA-N 0 1 302.296 2.181 20 10 DECDMN [O-]c1c(I)cccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001237778670 1138786530 /nfs/dbraw/zinc/78/65/30/1138786530.db2.gz ZEICSHDYVSTYOO-AOOOYVTPSA-N 0 1 315.154 2.449 20 10 DECDMN CC(C)N1CCN(Cc2cc(F)cc(Cl)c2O)CC1=O ZINC001237804535 1138793890 /nfs/dbraw/zinc/79/38/90/1138793890.db2.gz DTTVSUVUCARKEK-UHFFFAOYSA-N 0 1 300.761 2.237 20 10 DECDMN COC(=O)Cc1ccc(CN2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001249178449 1141857136 /nfs/dbraw/zinc/85/71/36/1141857136.db2.gz RQTXQGNXTUOXTG-GDBMZVCRSA-N 0 1 313.344 2.380 20 10 DECDMN COc1ccccc1S(=O)(=O)Nc1ccc(O)c(C(C)=O)c1 ZINC001259300507 1144086218 /nfs/dbraw/zinc/08/62/18/1144086218.db2.gz LQDUMORNCZJWDZ-UHFFFAOYSA-N 0 1 321.354 2.404 20 10 DECDMN O=S(=O)(CCNCc1ccc(N2CCCC2)cc1)CC1CC1 ZINC001308308120 1147466074 /nfs/dbraw/zinc/46/60/74/1147466074.db2.gz CTTXDQUKWLNVQL-UHFFFAOYSA-N 0 1 322.474 2.201 20 10 DECDMN COc1cc(C)cc(CN[C@@H](C(N)=O)c2ccccc2)c1O ZINC001308731097 1147484113 /nfs/dbraw/zinc/48/41/13/1147484113.db2.gz GNLGEYTZLCHCNL-OAHLLOKOSA-N 0 1 300.358 2.025 20 10 DECDMN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091985667 193135736 /nfs/dbraw/zinc/13/57/36/193135736.db2.gz XVUUYFKBBMQBFR-MRVPVSSYSA-N 0 1 316.741 2.195 20 10 DECDMN COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000091985019 193136014 /nfs/dbraw/zinc/13/60/14/193136014.db2.gz JSAKRTHVYRIBPN-VIFPVBQESA-N 0 1 316.195 2.396 20 10 DECDMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000091985019 193136015 /nfs/dbraw/zinc/13/60/15/193136015.db2.gz JSAKRTHVYRIBPN-VIFPVBQESA-N 0 1 316.195 2.396 20 10 DECDMN CC(=O)N1CCC([N@H+](C)Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232267704 781984568 /nfs/dbraw/zinc/98/45/68/781984568.db2.gz KKWQOKGUBUHUAG-UHFFFAOYSA-N 0 1 312.797 2.194 20 10 DECDMN CC(=O)N1CCC([N@@H+](C)Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232267704 781984577 /nfs/dbraw/zinc/98/45/77/781984577.db2.gz KKWQOKGUBUHUAG-UHFFFAOYSA-N 0 1 312.797 2.194 20 10 DECDMN CCCC[N@@H+](CC(N)=O)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091950322 401999578 /nfs/dbraw/zinc/99/95/78/401999578.db2.gz OUYYSKFYOPWEHV-UHFFFAOYSA-N 0 1 315.757 2.041 20 10 DECDMN COC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000186202276 402409465 /nfs/dbraw/zinc/40/94/65/402409465.db2.gz NTQVXCVLFHXJMG-MWLCHTKSSA-N 0 1 318.211 2.203 20 10 DECDMN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@@H]1CCCO1 ZINC000278323466 402863032 /nfs/dbraw/zinc/86/30/32/402863032.db2.gz YJHSPUDHDZDCLA-LBPRGKRZSA-N 0 1 310.350 2.310 20 10 DECDMN COC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000279141215 402908532 /nfs/dbraw/zinc/90/85/32/402908532.db2.gz XKZRKKULJXHNRV-LSDHHAIUSA-N 0 1 311.353 2.018 20 10 DECDMN CN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000271204240 403278338 /nfs/dbraw/zinc/27/83/38/403278338.db2.gz QVWGZWNMRGGBJK-LLVKDONJSA-N 0 1 303.189 2.362 20 10 DECDMN CC(=O)N1CCN(Cc2cc(Cl)c(F)cc2O)[C@@H](C)C1 ZINC000295066884 403749661 /nfs/dbraw/zinc/74/96/61/403749661.db2.gz AMDPUXCYXLPOOG-VIFPVBQESA-N 0 1 300.761 2.237 20 10 DECDMN CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000290334157 404128894 /nfs/dbraw/zinc/12/88/94/404128894.db2.gz DYORSNYOYAUZET-CQSZACIVSA-N 0 1 318.417 2.235 20 10 DECDMN COCCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000297317211 404551771 /nfs/dbraw/zinc/55/17/71/404551771.db2.gz CUYNGMFOXCSWQC-UHFFFAOYSA-N 0 1 310.350 2.167 20 10 DECDMN CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc(C(F)(F)F)cc1[O-] ZINC000530220042 405776922 /nfs/dbraw/zinc/77/69/22/405776922.db2.gz BDPWGIBUEHXQOZ-DGCLKSJQSA-N 0 1 318.339 2.440 20 10 DECDMN COC[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])OC ZINC000273432466 293106976 /nfs/dbraw/zinc/10/69/76/293106976.db2.gz LFVJQXLABKPKHJ-ONGXEEELSA-N 0 1 318.211 2.467 20 10 DECDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000177364147 333127936 /nfs/dbraw/zinc/12/79/36/333127936.db2.gz RQYKMTNUAXEMTP-LLVKDONJSA-N 0 1 324.808 2.336 20 10 DECDMN CCCN1CCCN(Cc2cccc(OCC)c2O)CC1=O ZINC000189216207 519852373 /nfs/dbraw/zinc/85/23/73/519852373.db2.gz JRFLDDQAGJEACM-UHFFFAOYSA-N 0 1 306.406 2.235 20 10 DECDMN CCOCCNC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000267921095 519939053 /nfs/dbraw/zinc/93/90/53/519939053.db2.gz QMTKAUKYDUCZKQ-UHFFFAOYSA-N 0 1 321.465 2.116 20 10 DECDMN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nnc[nH]2)cc1 ZINC000182413425 520901170 /nfs/dbraw/zinc/90/11/70/520901170.db2.gz KNWLOIQJXSRUAH-GFCCVEGCSA-N 0 1 316.409 2.211 20 10 DECDMN Cc1cccc(CN2CCN(C3=NC[C@H](C)S3)CC2)c1O ZINC000180447909 524399531 /nfs/dbraw/zinc/39/95/31/524399531.db2.gz YVWHQINMGRSRQC-ZDUSSCGKSA-N 0 1 305.447 2.310 20 10 DECDMN Cc1cc(Br)cc(CN(CC(N)=O)C(C)C)c1O ZINC000124514294 526156482 /nfs/dbraw/zinc/15/64/82/526156482.db2.gz KNXSASOQIHETPE-UHFFFAOYSA-N 0 1 315.211 2.159 20 10 DECDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188819097 526341500 /nfs/dbraw/zinc/34/15/00/526341500.db2.gz VMAXPJIGWVKWBM-CABZTGNLSA-N 0 1 300.196 2.405 20 10 DECDMN CCN(CC)c1ccc(CN2CCN3CCOC[C@@H]3C2)cc1 ZINC000375235717 528299500 /nfs/dbraw/zinc/29/95/00/528299500.db2.gz BVCMWFYNAPNFRO-SFHVURJKSA-N 0 1 303.450 2.049 20 10 DECDMN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1O ZINC000820954049 598182575 /nfs/dbraw/zinc/18/25/75/598182575.db2.gz LIETWSBLFQJYJL-SECBINFHSA-N 0 1 314.179 2.370 20 10 DECDMN Cc1cc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000738233144 599956961 /nfs/dbraw/zinc/95/69/61/599956961.db2.gz LZMSJLBELOTHCD-CQSZACIVSA-N 0 1 307.390 2.284 20 10 DECDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CNC(=O)[O-])c1O ZINC000823628903 603751788 /nfs/dbraw/zinc/75/17/88/603751788.db2.gz YOPCIKGGTOCMQA-QMMMGPOBSA-N 0 1 314.769 2.336 20 10 DECDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)CNC(=O)[O-])c1O ZINC000823628903 603751792 /nfs/dbraw/zinc/75/17/92/603751792.db2.gz YOPCIKGGTOCMQA-QMMMGPOBSA-N 0 1 314.769 2.336 20 10 DECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)[O-])c1O ZINC000823628297 604227118 /nfs/dbraw/zinc/22/71/18/604227118.db2.gz OQRJURATZWVPTM-CYBMUJFWSA-N 0 1 324.352 2.308 20 10 DECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)[O-])c1O ZINC000823628297 604227119 /nfs/dbraw/zinc/22/71/19/604227119.db2.gz OQRJURATZWVPTM-CYBMUJFWSA-N 0 1 324.352 2.308 20 10 DECDMN CCNC(=O)N1CC[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840909351 625563799 /nfs/dbraw/zinc/56/37/99/625563799.db2.gz QPNOYAMNOJLBAQ-NSHDSACASA-N 0 1 311.813 2.247 20 10 DECDMN O=C(NCc1cccc(Cl)c1O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000893103984 625117685 /nfs/dbraw/zinc/11/76/85/625117685.db2.gz WWVYNBGQEWWDCT-ZDUSSCGKSA-N 0 1 323.824 2.329 20 10 DECDMN O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000893103984 625117686 /nfs/dbraw/zinc/11/76/86/625117686.db2.gz WWVYNBGQEWWDCT-ZDUSSCGKSA-N 0 1 323.824 2.329 20 10 DECDMN O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000893103984 625117689 /nfs/dbraw/zinc/11/76/89/625117689.db2.gz WWVYNBGQEWWDCT-ZDUSSCGKSA-N 0 1 323.824 2.329 20 10 DECDMN CO[C@H](C)c1noc(CN(C)Cc2cc(F)cc(F)c2O)n1 ZINC000894083172 636104609 /nfs/dbraw/zinc/10/46/09/636104609.db2.gz BLIIAIDIZLGQJJ-MRVPVSSYSA-N 0 1 313.304 2.393 20 10 DECDMN COc1cc(C)cc(CN(CCO)Cc2cccnc2)c1O ZINC000894002024 636087697 /nfs/dbraw/zinc/08/76/97/636087697.db2.gz LGAROJSVPGASPC-UHFFFAOYSA-N 0 1 302.374 2.099 20 10 DECDMN COC(=O)c1ccc(CNCc2cc(C)cc(OC)c2O)o1 ZINC000894770994 637199494 /nfs/dbraw/zinc/19/94/94/637199494.db2.gz VFYRELFMYQWCTH-UHFFFAOYSA-N 0 1 305.330 2.379 20 10 DECDMN CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894878231 637283613 /nfs/dbraw/zinc/28/36/13/637283613.db2.gz VFBHKCDIGNLKJD-GFCCVEGCSA-N 0 1 314.332 2.333 20 10 DECDMN Cc1noc(C2C[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000839131355 637800936 /nfs/dbraw/zinc/80/09/36/637800936.db2.gz SPVVFYUIGDHPHK-UHFFFAOYSA-N 0 1 324.724 2.245 20 10 DECDMN COc1ccc(N2CCN([C@H](C)c3n[nH]c(C)n3)CC2)cc1F ZINC000839504395 637898388 /nfs/dbraw/zinc/89/83/88/637898388.db2.gz ZHZORDOHVNFAQI-LLVKDONJSA-N 0 1 319.384 2.144 20 10 DECDMN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000740900223 637915498 /nfs/dbraw/zinc/91/54/98/637915498.db2.gz MYCAVBSQSDEHHZ-GHMZBOCLSA-N 0 1 317.838 2.491 20 10 DECDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCCS2(=O)=O)c(Cl)c1 ZINC000840936208 650388979 /nfs/dbraw/zinc/38/89/79/650388979.db2.gz HCHOOOAIJUYFFZ-LLVKDONJSA-N 0 1 317.838 2.411 20 10 DECDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c(Cl)c1 ZINC000840948392 650393375 /nfs/dbraw/zinc/39/33/75/650393375.db2.gz DTKDSYOYFZPTNY-HOCLYGCPSA-N 0 1 310.825 2.259 20 10 DECDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c(Cl)c1 ZINC000840948392 650393379 /nfs/dbraw/zinc/39/33/79/650393379.db2.gz DTKDSYOYFZPTNY-HOCLYGCPSA-N 0 1 310.825 2.259 20 10 DECDMN COc1ccc(O)c(CNCc2nc(CN(C)C)cs2)c1 ZINC000896313665 638465118 /nfs/dbraw/zinc/46/51/18/638465118.db2.gz CSMLXDFXOFJJQA-UHFFFAOYSA-N 0 1 307.419 2.209 20 10 DECDMN Oc1c(F)cc(Br)cc1CN1CC[C@H](O)[C@H](F)C1 ZINC000898183752 641053172 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C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691468074 785911802 /nfs/dbraw/zinc/91/18/02/785911802.db2.gz SKICFOXUIYJPKI-BCTVWOGZSA-N 0 1 306.225 2.011 20 10 DECDMN COC(=O)[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001204328264 795633981 /nfs/dbraw/zinc/63/39/81/795633981.db2.gz FIFVRJREIMDTBU-KRWDZBQOSA-N 0 1 318.417 2.051 20 10 DECDMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccccc1O ZINC001138926934 796303329 /nfs/dbraw/zinc/30/33/29/796303329.db2.gz VUGICFZFQQGCLT-UHFFFAOYSA-N 0 1 301.342 2.488 20 10 DECDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCC(=O)[C@@H](C)C1 ZINC001139126818 796327492 /nfs/dbraw/zinc/32/74/92/796327492.db2.gz QWZBMDTXFNUJBM-NSHDSACASA-N 0 1 301.342 2.218 20 10 DECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@H](C)[C@H](O)CC1 ZINC001139126847 796328200 /nfs/dbraw/zinc/32/82/00/796328200.db2.gz RZUFBDWNTLCWMH-IAQYHMDHSA-N 0 1 317.385 2.400 20 10 DECDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCn2cncc2C1 ZINC001139132067 796331201 /nfs/dbraw/zinc/33/12/01/796331201.db2.gz SXPKBDPQLBUZPT-UHFFFAOYSA-N 0 1 311.341 2.019 20 10 DECDMN Cc1cc(CN2Cc3ccnn3CC[C@H]2CO)ccc1N(C)C ZINC001139674352 796409156 /nfs/dbraw/zinc/40/91/56/796409156.db2.gz VVPUKYTVTQNKSA-KRWDZBQOSA-N 0 1 314.433 2.024 20 10 DECDMN CN(C)C(=O)CC[N@H+](C)Cc1c([O-])cccc1Br ZINC001140101084 796477439 /nfs/dbraw/zinc/47/74/39/796477439.db2.gz JMYHDYSXLROZCM-UHFFFAOYSA-N 0 1 315.211 2.065 20 10 DECDMN CN(C)C(=O)CC[N@@H+](C)Cc1c([O-])cccc1Br ZINC001140101084 796477442 /nfs/dbraw/zinc/47/74/42/796477442.db2.gz JMYHDYSXLROZCM-UHFFFAOYSA-N 0 1 315.211 2.065 20 10 DECDMN COc1ncnc2c1CC[N@@H+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581077 796540554 /nfs/dbraw/zinc/54/05/54/796540554.db2.gz POAVDYQHKZXTDQ-UHFFFAOYSA-N 0 1 321.327 2.070 20 10 DECDMN C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)[C@H]1CO ZINC001140660540 796552184 /nfs/dbraw/zinc/55/21/84/796552184.db2.gz VMRCTPFMJBHTSB-KDOFPFPSSA-N 0 1 322.424 2.255 20 10 DECDMN Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001140660675 796552214 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ZINC001203593650 800087071 /nfs/dbraw/zinc/08/70/71/800087071.db2.gz PBZAFUBCBYEHPE-UHFFFAOYSA-N 0 1 311.353 2.268 20 10 DECDMN Oc1ccc(CN2CC3(CN(Cc4ccccc4)C3)C2)cc1O ZINC001203881020 800139192 /nfs/dbraw/zinc/13/91/92/800139192.db2.gz CYDJBDUAAAHTMC-UHFFFAOYSA-N 0 1 310.397 2.416 20 10 DECDMN Cc1nc2c(s1)C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231452243 801668294 /nfs/dbraw/zinc/66/82/94/801668294.db2.gz IGIIAONMSDTRHE-UHFFFAOYSA-N 0 1 304.371 2.414 20 10 DECDMN CCOC(=O)[C@H]1[C@@H]2CN(Cc3ccc(N(C)C)cc3OC)C[C@@H]21 ZINC001231854718 801739142 /nfs/dbraw/zinc/73/91/42/801739142.db2.gz LFQCKVZIWWKPQP-QLPKVWCKSA-N 0 1 318.417 2.002 20 10 DECDMN Clc1cc(CN2CC(C3COC3)C2)ccc1N1CCOCC1 ZINC001232198633 801814418 /nfs/dbraw/zinc/81/44/18/801814418.db2.gz YRHIMXDGXRPUCK-UHFFFAOYSA-N 0 1 322.836 2.255 20 10 DECDMN CN(CCF)Cc1ccc(I)cc1O ZINC001232980886 801994813 /nfs/dbraw/zinc/99/48/13/801994813.db2.gz SCTKGYVEVMAHCG-UHFFFAOYSA-N 0 1 309.122 2.398 20 10 DECDMN CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419092 802112918 /nfs/dbraw/zinc/11/29/18/802112918.db2.gz JCJRDDROUDGNQC-NSHDSACASA-N 0 1 302.296 2.121 20 10 DECDMN Oc1c(CN2CCC3(C2)OCCO3)cccc1OC(F)(F)F ZINC001233754845 802197006 /nfs/dbraw/zinc/19/70/06/802197006.db2.gz MWLVKKCBJCHIJE-UHFFFAOYSA-N 0 1 319.279 2.240 20 10 DECDMN CN(C)c1ccc(CN[C@]2(C)CCNC2=O)c(C(F)(F)F)c1 ZINC001335132390 1150378264 /nfs/dbraw/zinc/37/82/64/1150378264.db2.gz NUQLBSAOEUPWIR-CQSZACIVSA-N 0 1 315.339 2.140 20 10 DECDMN C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CC[C@@H]1C(=O)[O-] ZINC001589399069 954396125 /nfs/dbraw/zinc/39/61/25/954396125.db2.gz MJDHOGJEGUQWGI-AAEUAGOBSA-N 0 1 300.358 2.483 20 10 DECDMN COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c(O)c1OC ZINC001594092983 958369439 /nfs/dbraw/zinc/36/94/39/958369439.db2.gz PAYSKVKRRHGFOR-GWCFXTLKSA-N 0 1 309.362 2.095 20 10 DECDMN CC(C)c1ccc(O)c(C[NH2+][C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC001588968916 962661831 /nfs/dbraw/zinc/66/18/31/962661831.db2.gz UPKLFNPAPVTIBX-OAHLLOKOSA-N 0 1 303.362 2.165 20 10 DECDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1c(O)cccc1Br ZINC000706626091 977357351 /nfs/dbraw/zinc/35/73/51/977357351.db2.gz AOPANWDFKAOCJZ-BDAKNGLRSA-N 0 1 314.179 2.450 20 10 DECDMN C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(C(=O)[O-])co1 ZINC001593245884 994442206 /nfs/dbraw/zinc/44/22/06/994442206.db2.gz DLKOCBPPJGNXBM-NHYWBVRUSA-N 0 1 317.389 2.394 20 10 DECDMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC001599079203 996955634 /nfs/dbraw/zinc/95/56/34/996955634.db2.gz QMPKVDFQWNABSN-QGZVFWFLSA-N 0 1 307.390 2.500 20 10 DECDMN CCCc1[nH]ncc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001328563935 1148810888 /nfs/dbraw/zinc/81/08/88/1148810888.db2.gz WGIYTHPERTWANK-UHFFFAOYSA-N 0 1 314.389 2.467 20 10 DECDMN C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001604713919 1070476034 /nfs/dbraw/zinc/47/60/34/1070476034.db2.gz SXGHYSBRWRHRHO-ISWURRPUSA-N 0 1 318.417 2.348 20 10 DECDMN COc1c(O)c(C[NH2+]CC2(C(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC001607048827 1071284670 /nfs/dbraw/zinc/28/46/70/1071284670.db2.gz CCJULOFULWMLMG-UHFFFAOYSA-N 0 1 324.333 2.044 20 10 DECDMN CN1CCCc2cc(CNC(=O)CCN3CC[C@@H](F)C3)ccc21 ZINC001464522944 1059148679 /nfs/dbraw/zinc/14/86/79/1059148679.db2.gz XKQMLNOBRNPSEI-MRXNPFEDSA-N 0 1 319.424 2.119 20 10 DECDMN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(F)c1O ZINC001466791770 1059539135 /nfs/dbraw/zinc/53/91/35/1059539135.db2.gz ZIBOQBLRLDKCLY-SECBINFHSA-N 0 1 305.305 2.304 20 10 DECDMN CN(C(=O)C1=CC(=O)CS1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001570180889 1065958558 /nfs/dbraw/zinc/95/85/58/1065958558.db2.gz XXNSHAZCKBITNW-CYBMUJFWSA-N 0 1 314.370 2.433 20 10 DECDMN Cc1ccc2[nH]cc(C(=O)NCc3ccc(N)cc3)c(=O)c2c1 ZINC001579742907 1067415304 /nfs/dbraw/zinc/41/53/04/1067415304.db2.gz ZPROOXGMSUVFDE-UHFFFAOYSA-N 0 1 307.353 2.349 20 10 DECDMN NC1(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CCC1 ZINC001580152903 1067510962 /nfs/dbraw/zinc/51/09/62/1067510962.db2.gz 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O=C(N1CCCC1)C12CC(C1)C[N@H+]2Cc1ccc(F)c(F)c1[O-] ZINC001233074766 802020477 /nfs/dbraw/zinc/02/04/77/802020477.db2.gz MEHYIZMSIXDHBO-UHFFFAOYSA-N 0 1 322.355 2.257 20 10 DECDMN O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1ccc(F)c(F)c1[O-] ZINC001233074766 802020480 /nfs/dbraw/zinc/02/04/80/802020480.db2.gz MEHYIZMSIXDHBO-UHFFFAOYSA-N 0 1 322.355 2.257 20 10 DECDMN Cc1cnc(O[C@H]2CC[N@@H+](Cc3c([O-])ccc(F)c3F)C2)nc1 ZINC001233336161 802079096 /nfs/dbraw/zinc/07/90/96/802079096.db2.gz ARXXKWGZRMBMEX-NSHDSACASA-N 0 1 321.327 2.422 20 10 DECDMN C[NH+](C)C[C@@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419263 802113196 /nfs/dbraw/zinc/11/31/96/802113196.db2.gz QMXDTYXYDRFZCB-GFCCVEGCSA-N 0 1 318.339 2.173 20 10 DECDMN CC(=O)N1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]1C ZINC001233455105 802121034 /nfs/dbraw/zinc/12/10/34/802121034.db2.gz WRGWHVRRRUDYKM-SNVBAGLBSA-N 0 1 316.323 2.464 20 10 DECDMN CC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2O)C[C@H]1C ZINC001233455105 802121037 /nfs/dbraw/zinc/12/10/37/802121037.db2.gz 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C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(C(=O)[O-])ccc1O ZINC001609778169 1077921378 /nfs/dbraw/zinc/92/13/78/1077921378.db2.gz NFDJYZQCONYIPM-BXKDBHETSA-N 0 1 301.346 2.022 20 10 DECDMN CN(C)c1ccc(CNCC(=O)NCc2ccccc2)cc1F ZINC001656037031 1080031882 /nfs/dbraw/zinc/03/18/82/1080031882.db2.gz IHXHCCOOZOWFEM-UHFFFAOYSA-N 0 1 315.392 2.298 20 10 DECDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001663536867 1080770036 /nfs/dbraw/zinc/77/00/36/1080770036.db2.gz LOACVYHPUSPTGK-LLVKDONJSA-N 0 1 312.360 2.409 20 10 DECDMN COc1cc(C)c(CN2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC001665773185 1081080406 /nfs/dbraw/zinc/08/04/06/1081080406.db2.gz DHUXUCVUFNGADE-QGZVFWFLSA-N 0 1 317.389 2.016 20 10 DECDMN C[C@@H](C[S@](C)=O)[NH2+]Cc1c([O-])cccc1Br ZINC000706883264 1082292163 /nfs/dbraw/zinc/29/21/63/1082292163.db2.gz LCKBAWXBCARSNV-PWJLMRLQSA-N 0 1 306.225 2.011 20 10 DECDMN [O-]c1c(F)cccc1CN1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001276537035 1083484261 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ZINC000287385899 131278348 /nfs/dbraw/zinc/27/83/48/131278348.db2.gz PTMXZGVYKGGTOW-MRVPVSSYSA-N 0 1 311.183 2.134 20 10 DECDMN Cc1cc(CN2CCN(c3cccnn3)CC2)ccc1N(C)C ZINC000293059055 131704634 /nfs/dbraw/zinc/70/46/34/131704634.db2.gz KYBFLYPNMUFLLN-UHFFFAOYSA-N 0 1 311.433 2.173 20 10 DECDMN COc1cc(Cl)cc(CN2CCC[C@@H](n3cncn3)C2)c1O ZINC000184689200 402291908 /nfs/dbraw/zinc/29/19/08/402291908.db2.gz COEXIQDULCHHJD-CYBMUJFWSA-N 0 1 322.796 2.483 20 10 DECDMN Cn1cncc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000177064755 402366205 /nfs/dbraw/zinc/36/62/05/402366205.db2.gz LGIQFLLYWXKDFA-MRXNPFEDSA-N 0 1 301.390 2.307 20 10 DECDMN CCOc1ccc(O)c(CN2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000179490481 402592330 /nfs/dbraw/zinc/59/23/30/402592330.db2.gz XFKOLMNHXCXUQY-HNNXBMFYSA-N 0 1 304.390 2.034 20 10 DECDMN Cc1cccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180433575 402616940 /nfs/dbraw/zinc/61/69/40/402616940.db2.gz NDEAECYYMBDQFX-CABCVRRESA-N 0 1 311.447 2.488 20 10 DECDMN Cc1cccc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180433575 402616941 /nfs/dbraw/zinc/61/69/41/402616941.db2.gz NDEAECYYMBDQFX-CABCVRRESA-N 0 1 311.447 2.488 20 10 DECDMN Cc1n[nH]c(CCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000264375169 402872433 /nfs/dbraw/zinc/87/24/33/402872433.db2.gz VVHMYRFVQWCPEK-UHFFFAOYSA-N 0 1 323.400 2.493 20 10 DECDMN CCN(C)c1ccc([C@H](C)N[C@H](CO)c2cnn(C)c2)cc1 ZINC000271582315 402881335 /nfs/dbraw/zinc/88/13/35/402881335.db2.gz XBTBMRQICZAPSS-SUMWQHHRSA-N 0 1 302.422 2.260 20 10 DECDMN Cc1cc(Br)cc(CN2CCC[C@H](O)C2)c1O ZINC000271787227 402884457 /nfs/dbraw/zinc/88/44/57/402884457.db2.gz IBHIPSRIYRUGBK-LBPRGKRZSA-N 0 1 300.196 2.420 20 10 DECDMN CCOC(=O)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000270860794 403232226 /nfs/dbraw/zinc/23/22/26/403232226.db2.gz NCBATITUHAPCGL-UHFFFAOYSA-N 0 1 323.389 2.185 20 10 DECDMN CC(C)(C)CC[NH+]1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276639084 403192005 /nfs/dbraw/zinc/19/20/05/403192005.db2.gz XJIZEXZENZMSTC-UHFFFAOYSA-N 0 1 324.396 2.431 20 10 DECDMN CCOc1ccc(O)c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289947974 404011756 /nfs/dbraw/zinc/01/17/56/404011756.db2.gz YPWOCJLUALZNGV-GDBMZVCRSA-N 0 1 320.433 2.086 20 10 DECDMN Oc1ccc(Br)cc1CN1CC[C@H](n2cncn2)C1 ZINC000364518920 404430826 /nfs/dbraw/zinc/43/08/26/404430826.db2.gz KAOZIEBNSDYSRR-LBPRGKRZSA-N 0 1 323.194 2.193 20 10 DECDMN CCOC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000529667545 405763110 /nfs/dbraw/zinc/76/31/10/405763110.db2.gz YKBYSDPRKTYSMJ-NSHDSACASA-N 0 1 303.761 2.422 20 10 DECDMN CCOC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000529667544 405763227 /nfs/dbraw/zinc/76/32/27/405763227.db2.gz YKBYSDPRKTYSMJ-LLVKDONJSA-N 0 1 303.761 2.422 20 10 DECDMN CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(=O)NC ZINC000834913983 649859646 /nfs/dbraw/zinc/85/96/46/649859646.db2.gz RTIGMVQGDOUDPU-KWQFWETISA-N 0 1 315.211 2.330 20 10 DECDMN CC[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc(C(F)(F)F)cc1[O-] ZINC000530220044 340782912 /nfs/dbraw/zinc/78/29/12/340782912.db2.gz BDPWGIBUEHXQOZ-YPMHNXCESA-N 0 1 318.339 2.440 20 10 DECDMN CNC(=O)[C@@H]1CCCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025945 649868169 /nfs/dbraw/zinc/86/81/69/649868169.db2.gz OPWDDOWJAMKPAJ-TUYSUELWSA-N 0 1 301.434 2.366 20 10 DECDMN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000130973907 524657539 /nfs/dbraw/zinc/65/75/39/524657539.db2.gz CWQCAYLWSGVUKQ-SQFXPLBJSA-N 0 1 320.798 2.153 20 10 DECDMN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n[nH]1 ZINC000264691739 526232350 /nfs/dbraw/zinc/23/23/50/526232350.db2.gz MJOOHQPIYFNLNA-AWEZNQCLSA-N 0 1 315.373 2.245 20 10 DECDMN C[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@H](C(N)=O)C1 ZINC000835047079 649871555 /nfs/dbraw/zinc/87/15/55/649871555.db2.gz XLKWZVNVMLOEML-ROHVMALMSA-N 0 1 301.434 2.352 20 10 DECDMN C/C(=C/C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(=O)[O-] ZINC000825730402 601165304 /nfs/dbraw/zinc/16/53/04/601165304.db2.gz WILKIVZGSZDRJC-JEMSNHSXSA-N 0 1 305.374 2.404 20 10 DECDMN C[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000820569029 604539603 /nfs/dbraw/zinc/53/96/03/604539603.db2.gz JDKYBPMNAJBMFH-UHFFFAOYSA-N 0 1 307.350 2.102 20 10 DECDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCOC1 ZINC000833249227 604789501 /nfs/dbraw/zinc/78/95/01/604789501.db2.gz MOCMKRDGLGPQHK-NSHDSACASA-N 0 1 313.781 2.359 20 10 DECDMN CN1CCN(c2ccc(CNC(=O)CC(C)(C)C)cc2)CC1 ZINC000049740682 623198611 /nfs/dbraw/zinc/19/86/11/623198611.db2.gz CMWKCROGMVNWDC-UHFFFAOYSA-N 0 1 303.450 2.491 20 10 DECDMN O=C([O-])[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000236454629 625128691 /nfs/dbraw/zinc/12/86/91/625128691.db2.gz WEWASYLSPSCZMO-VIFPVBQESA-N 0 1 314.179 2.451 20 10 DECDMN COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2O)cn1 ZINC000893555409 634648800 /nfs/dbraw/zinc/64/88/00/634648800.db2.gz CNROEORWRHROHC-UHFFFAOYSA-N 0 1 318.373 2.445 20 10 DECDMN COc1ccc(CN(C)Cc2ccc(OC)c(OC)c2O)cn1 ZINC000893555409 634648803 /nfs/dbraw/zinc/64/88/03/634648803.db2.gz CNROEORWRHROHC-UHFFFAOYSA-N 0 1 318.373 2.445 20 10 DECDMN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)C(C)(C)C ZINC000840933533 634772191 /nfs/dbraw/zinc/77/21/91/634772191.db2.gz GMVHPASLQVDAEH-UHFFFAOYSA-N 0 1 312.479 2.364 20 10 DECDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000893863292 636049678 /nfs/dbraw/zinc/04/96/78/636049678.db2.gz DMTPAVKNYZTGHY-VIFPVBQESA-N 0 1 318.186 2.498 20 10 DECDMN COc1cccc(O)c1CN[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000922859854 636448938 /nfs/dbraw/zinc/44/89/38/636448938.db2.gz ZTKZPWPAHMYMPT-LLVKDONJSA-N 0 1 324.377 2.041 20 10 DECDMN CCOCCOCC[NH2+]Cc1c([O-])cccc1Br ZINC000922945940 636878033 /nfs/dbraw/zinc/87/80/33/636878033.db2.gz XQWKKKKYFASLOT-UHFFFAOYSA-N 0 1 318.211 2.297 20 10 DECDMN C[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC[C@H]1O ZINC000894498071 637070656 /nfs/dbraw/zinc/07/06/56/637070656.db2.gz SQHZEXZKZPYROO-QPUJVOFHSA-N 0 1 318.186 2.497 20 10 DECDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC[C@@H]1O ZINC000894498069 637070795 /nfs/dbraw/zinc/07/07/95/637070795.db2.gz SQHZEXZKZPYROO-PELKAZGASA-N 0 1 318.186 2.497 20 10 DECDMN COc1cccnc1CNCc1ccc(OC)c(OC)c1O ZINC000894779384 637205782 /nfs/dbraw/zinc/20/57/82/637205782.db2.gz XPRAXBYLROQXAY-UHFFFAOYSA-N 0 1 304.346 2.103 20 10 DECDMN Oc1c(F)cc(F)cc1CN1CCO[C@@]2(CCSC2)C1 ZINC000895075752 637502289 /nfs/dbraw/zinc/50/22/89/637502289.db2.gz GRMPUUWUVPCLPR-AWEZNQCLSA-N 0 1 301.358 2.378 20 10 DECDMN CC[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])C(=O)OC ZINC000895127365 637619933 /nfs/dbraw/zinc/61/99/33/637619933.db2.gz KHXXQAIXDSUWPQ-SECBINFHSA-N 0 1 316.195 2.444 20 10 DECDMN COc1ccc(N2CCN([C@@H](C)c3n[nH]c(C)n3)CC2)cc1F ZINC000839504396 637898807 /nfs/dbraw/zinc/89/88/07/637898807.db2.gz ZHZORDOHVNFAQI-NSHDSACASA-N 0 1 319.384 2.144 20 10 DECDMN C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000895327976 637933523 /nfs/dbraw/zinc/93/35/23/637933523.db2.gz FPOLICHYRIFUNJ-ZWNOBZJWSA-N 0 1 306.189 2.017 20 10 DECDMN Cc1cc(N(C)C)ccc1CN1CCN(c2cnn(C)c2)CC1 ZINC000840914627 650379725 /nfs/dbraw/zinc/37/97/25/650379725.db2.gz FPWXXTVFFOKTBD-UHFFFAOYSA-N 0 1 313.449 2.117 20 10 DECDMN Cc1cc(N(C)C)ccc1CN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000840951250 650394177 /nfs/dbraw/zinc/39/41/77/650394177.db2.gz ZDFVFLKZSALRAR-HNNXBMFYSA-N 0 1 324.490 2.318 20 10 DECDMN O=[N+]([O-])c1cc(CN2C[C@H]3C[C@@]3(O)C2)ccc1N1CCCCC1 ZINC000895649350 638125169 /nfs/dbraw/zinc/12/51/69/638125169.db2.gz PHXUVTCPYYONTP-RHSMWYFYSA-N 0 1 317.389 2.152 20 10 DECDMN CN(C)C(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000840959260 650394850 /nfs/dbraw/zinc/39/48/50/650394850.db2.gz ZWAFZYCVMVNOTJ-VIFPVBQESA-N 0 1 300.761 2.095 20 10 DECDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895837038 638226036 /nfs/dbraw/zinc/22/60/36/638226036.db2.gz JUBIVKFRCWYMAW-GFCCVEGCSA-N 0 1 311.250 2.417 20 10 DECDMN CCOCCOCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000897203839 639240394 /nfs/dbraw/zinc/24/03/94/639240394.db2.gz FRBVGJCZHUGRBN-UHFFFAOYSA-N 0 1 318.211 2.297 20 10 DECDMN CN(C[C@@H]1CCC[N@H+]1C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000321006895 639893678 /nfs/dbraw/zinc/89/36/78/639893678.db2.gz ROIAKZFZMRBLIE-WOLRVDTOSA-N 0 1 319.361 2.223 20 10 DECDMN O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000761228979 640289002 /nfs/dbraw/zinc/28/90/02/640289002.db2.gz QARZVYNGUBNWCS-LLVKDONJSA-N 0 1 309.797 2.082 20 10 DECDMN O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000761228979 640289008 /nfs/dbraw/zinc/28/90/08/640289008.db2.gz QARZVYNGUBNWCS-LLVKDONJSA-N 0 1 309.797 2.082 20 10 DECDMN O=C(NC1CC1)N[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000761228979 640289011 /nfs/dbraw/zinc/28/90/11/640289011.db2.gz QARZVYNGUBNWCS-LLVKDONJSA-N 0 1 309.797 2.082 20 10 DECDMN Cc1cc(O)c(CN2CCO[C@@H](c3ccnn3C)C2)cc1C ZINC000897559390 640796838 /nfs/dbraw/zinc/79/68/38/640796838.db2.gz VGMMXLWPESPGEU-QGZVFWFLSA-N 0 1 301.390 2.316 20 10 DECDMN Cc1[nH]ncc1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000768219232 641060466 /nfs/dbraw/zinc/06/04/66/641060466.db2.gz FGQWGVLPTVAUDB-UHFFFAOYSA-N 0 1 301.394 2.092 20 10 DECDMN CN(Cc1ccc(Cl)nc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440075 641080569 /nfs/dbraw/zinc/08/05/69/641080569.db2.gz CVKKTBIURSPSIT-AWEZNQCLSA-N 0 1 320.776 2.498 20 10 DECDMN CC(C)C[C@H]1COCCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445735 641082750 /nfs/dbraw/zinc/08/27/50/641082750.db2.gz HEVCGGIEGIEUIC-BBRMVZONSA-N 0 1 307.390 2.065 20 10 DECDMN C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000323360095 641392619 /nfs/dbraw/zinc/39/26/19/641392619.db2.gz BPTMWPKMWWYJOY-KRYZUYOTSA-N 0 1 319.361 2.221 20 10 DECDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ncn1 ZINC000773108388 641730540 /nfs/dbraw/zinc/73/05/40/641730540.db2.gz XJKYUTURILDPEK-HNNXBMFYSA-N 0 1 312.417 2.472 20 10 DECDMN O=C(Nc1cnn([C@@H]2CCCCO2)c1)c1c(F)ccc(O)c1O ZINC000899330995 642037810 /nfs/dbraw/zinc/03/78/10/642037810.db2.gz FCKWDRSRVHVIBK-LBPRGKRZSA-N 0 1 321.308 2.385 20 10 DECDMN C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000775987287 642120458 /nfs/dbraw/zinc/12/04/58/642120458.db2.gz VIYGLMNLMSZLSJ-VHSXEESVSA-N 0 1 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C[C@H]([NH2+]Cc1cnnn1C)c1ccc(Br)cc1[O-] ZINC000287385904 131278202 /nfs/dbraw/zinc/27/82/02/131278202.db2.gz PTMXZGVYKGGTOW-QMMMGPOBSA-N 0 1 311.183 2.134 20 10 DECDMN Cn1cc(C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000119684094 401963494 /nfs/dbraw/zinc/96/34/94/401963494.db2.gz RWDWVZPQWAEIOK-UHFFFAOYSA-N 0 1 310.741 2.319 20 10 DECDMN Cn1cc(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000119684094 401963495 /nfs/dbraw/zinc/96/34/95/401963495.db2.gz RWDWVZPQWAEIOK-UHFFFAOYSA-N 0 1 310.741 2.319 20 10 DECDMN COc1c([O-])c(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000290510724 286186710 /nfs/dbraw/zinc/18/67/10/286186710.db2.gz POEOHDFYNMTHIU-WCQYABFASA-N 0 1 323.393 2.081 20 10 DECDMN CCCCN(CC(N)=O)Cc1cc(Cl)cc(OC)c1O ZINC000184681791 402291297 /nfs/dbraw/zinc/29/12/97/402291297.db2.gz BJBSBVGAKYHQDW-UHFFFAOYSA-N 0 1 300.786 2.142 20 10 DECDMN CN(C)[C@@H](CNC(=O)c1cccc(O)c1O)c1cccs1 ZINC000186766106 402462581 /nfs/dbraw/zinc/46/25/81/402462581.db2.gz ZRGRLLUAHILZPF-NSHDSACASA-N 0 1 306.387 2.192 20 10 DECDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179562416 402594520 /nfs/dbraw/zinc/59/45/20/402594520.db2.gz LHQRUKCLNNSPIW-LLVKDONJSA-N 0 1 303.811 2.055 20 10 DECDMN CN(C)c1ccc(CNC(=O)[C@](C)(N)c2ccccc2)cc1F ZINC000192524577 402734460 /nfs/dbraw/zinc/73/44/60/402734460.db2.gz SUSKXCMQWLVVJX-GOSISDBHSA-N 0 1 315.392 2.382 20 10 DECDMN CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1O ZINC000174840298 402759476 /nfs/dbraw/zinc/75/94/76/402759476.db2.gz WWSFIIMQZFKCLM-UHFFFAOYSA-N 0 1 304.350 2.409 20 10 DECDMN COc1c([O-])c(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000280427868 402998719 /nfs/dbraw/zinc/99/87/19/402998719.db2.gz JFJFCNZJSVTBGJ-YPMHNXCESA-N 0 1 324.377 2.434 20 10 DECDMN CCOCC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000277623618 403237995 /nfs/dbraw/zinc/23/79/95/403237995.db2.gz GLOUSMQICBSXRL-SJORKVTESA-N 0 1 323.433 2.161 20 10 DECDMN CC1CC[NH+](CCCCNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276622364 403191729 /nfs/dbraw/zinc/19/17/29/403191729.db2.gz RDALOTHHVGHPCI-UHFFFAOYSA-N 0 1 324.396 2.479 20 10 DECDMN CN(C)c1ccc(CNC(=O)CN2CCC(CF)CC2)cc1 ZINC000295070545 403750928 /nfs/dbraw/zinc/75/09/28/403750928.db2.gz CXHGKSUGLKLPQJ-UHFFFAOYSA-N 0 1 307.413 2.050 20 10 DECDMN COc1cc(Cl)cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000368962879 403916428 /nfs/dbraw/zinc/91/64/28/403916428.db2.gz FICCDEFMJCYFMU-WFBYXXMGSA-N 0 1 324.808 2.140 20 10 DECDMN CN(CC[N@@H+](C)C1CC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290496738 404192710 /nfs/dbraw/zinc/19/27/10/404192710.db2.gz OWPNVZRKDSJDIY-UHFFFAOYSA-N 0 1 313.785 2.480 20 10 DECDMN CN(CC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000290496738 404192726 /nfs/dbraw/zinc/19/27/26/404192726.db2.gz OWPNVZRKDSJDIY-UHFFFAOYSA-N 0 1 313.785 2.480 20 10 DECDMN CC[C@H](C)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000296342285 404204864 /nfs/dbraw/zinc/20/48/64/404204864.db2.gz NFILPJYQZHOOOC-HNNXBMFYSA-N 0 1 318.465 2.378 20 10 DECDMN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000296452755 404254200 /nfs/dbraw/zinc/25/42/00/404254200.db2.gz MUQLIFJFOZFDJF-ONGXEEELSA-N 0 1 320.842 2.024 20 10 DECDMN CCOCCN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835025614 649867889 /nfs/dbraw/zinc/86/78/89/649867889.db2.gz LLODVQUOGJEODB-AATRIKPKSA-N 0 1 317.477 2.420 20 10 DECDMN COc1cc(Cl)cc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000187826867 533953007 /nfs/dbraw/zinc/95/30/07/533953007.db2.gz SOFMUMHKMZHYBG-UGZDLDLSSA-N 0 1 305.827 2.253 20 10 DECDMN CC(=O)N1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191199092 526561460 /nfs/dbraw/zinc/56/14/60/526561460.db2.gz QQLMZKNWHSADHE-UHFFFAOYSA-N 0 1 300.761 2.239 20 10 DECDMN OCc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000266191988 527633118 /nfs/dbraw/zinc/63/31/18/527633118.db2.gz IXXKHCSRCKTDGE-UHFFFAOYSA-N 0 1 320.364 2.037 20 10 DECDMN COCCN(Cc1c(C)nn(C)c1C)Cc1ccccc1O ZINC000835074679 649875805 /nfs/dbraw/zinc/87/58/05/649875805.db2.gz LMFQVOFSUUMHIM-UHFFFAOYSA-N 0 1 303.406 2.391 20 10 DECDMN CC(C)C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000756336790 598208743 /nfs/dbraw/zinc/20/87/43/598208743.db2.gz OXTAZWVHCINCIK-KRWDZBQOSA-N 0 1 319.449 2.027 20 10 DECDMN CC(=O)c1cc(F)cc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1O ZINC000825946835 601194824 /nfs/dbraw/zinc/19/48/24/601194824.db2.gz SGXPGFGYSLOMMI-SECBINFHSA-N 0 1 309.337 2.419 20 10 DECDMN C[C@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@H]1C(=O)[O-] ZINC000833630274 604669115 /nfs/dbraw/zinc/66/91/15/604669115.db2.gz QYVSCQKOMVLHCD-WCBMZHEXSA-N 0 1 314.179 2.307 20 10 DECDMN C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1C(=O)[O-] ZINC000833630274 604669116 /nfs/dbraw/zinc/66/91/16/604669116.db2.gz QYVSCQKOMVLHCD-WCBMZHEXSA-N 0 1 314.179 2.307 20 10 DECDMN C[C@@H]1[C@H](C)N(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000833587707 604836861 /nfs/dbraw/zinc/83/68/61/604836861.db2.gz MEQUTAHIMXWWAX-BAEOLTKYSA-N 0 1 319.361 2.221 20 10 DECDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000833828818 605956450 /nfs/dbraw/zinc/95/64/50/605956450.db2.gz DZMYUBBSHCJDRU-RYUDHWBXSA-N 0 1 315.373 2.418 20 10 DECDMN CN(C)c1ccc(CN2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC000933671262 624594625 /nfs/dbraw/zinc/59/46/25/624594625.db2.gz XDTMPXKHQGZQCB-AEFFLSMTSA-N 0 1 304.434 2.380 20 10 DECDMN COc1cccc(O)c1CNCC(=O)Nc1cccc(F)c1 ZINC000725850228 625132377 /nfs/dbraw/zinc/13/23/77/625132377.db2.gz RXZAYHYGAPIRDQ-UHFFFAOYSA-N 0 1 304.321 2.268 20 10 DECDMN COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000188645894 633787282 /nfs/dbraw/zinc/78/72/82/633787282.db2.gz VMEIXNOQPZTFFV-LLVKDONJSA-N 0 1 310.369 2.488 20 10 DECDMN C[C@H](CS(C)(=O)=O)N(Cc1cc(F)cc(F)c1O)C1CC1 ZINC000894028215 636096050 /nfs/dbraw/zinc/09/60/50/636096050.db2.gz YBALPMZQYIXPGH-SECBINFHSA-N 0 1 319.373 2.068 20 10 DECDMN CCOC(=O)[C@@H](F)C1CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000894857363 637262951 /nfs/dbraw/zinc/26/29/51/637262951.db2.gz GKQQQEJZQORHTB-AWEZNQCLSA-N 0 1 311.353 2.042 20 10 DECDMN CC(C)[C@H]1CCCC[N@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737613252 637356779 /nfs/dbraw/zinc/35/67/79/637356779.db2.gz PZWJRAJAVVIENQ-CYBMUJFWSA-N 0 1 318.377 2.144 20 10 DECDMN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1cc(Cl)cc(F)c1O ZINC000895118381 637590146 /nfs/dbraw/zinc/59/01/46/637590146.db2.gz HNYQYRLVTSPPLL-YIZRAAEISA-N 0 1 300.761 2.282 20 10 DECDMN Fc1cc(CNCc2cccnc2)cc(F)c1N1CCOCC1 ZINC000839146882 637789064 /nfs/dbraw/zinc/78/90/64/637789064.db2.gz YVUTYZAANDNUEQ-UHFFFAOYSA-N 0 1 319.355 2.486 20 10 DECDMN Cc1cc([O-])c(C[NH2+]CCN2CCSCC2)c(Cl)c1 ZINC000840896753 650372750 /nfs/dbraw/zinc/37/27/50/650372750.db2.gz NCBBISPWNWDZDR-UHFFFAOYSA-N 0 1 300.855 2.492 20 10 DECDMN O=C1N(CC[NH2+]Cc2c([O-])cccc2Cl)C[C@H]2CCCCN12 ZINC000895344667 637951297 /nfs/dbraw/zinc/95/12/97/637951297.db2.gz VRJJETMWUFMQAF-GFCCVEGCSA-N 0 1 323.824 2.425 20 10 DECDMN Cc1cc(O)c(CN2CCc3n[nH]c(=O)cc3C2)c(Cl)c1 ZINC000840936682 650389190 /nfs/dbraw/zinc/38/91/90/650389190.db2.gz BWXLEBMCLGJUTJ-UHFFFAOYSA-N 0 1 305.765 2.408 20 10 DECDMN Cc1cc(N(C)C)ccc1CN1CCC[C@H](S(C)(=O)=O)CC1 ZINC000840943060 650391837 /nfs/dbraw/zinc/39/18/37/650391837.db2.gz QRBXGEOWMUYSPO-KRWDZBQOSA-N 0 1 324.490 2.460 20 10 DECDMN O=C1CC2(CCC2)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CCN1 ZINC000895926743 638269855 /nfs/dbraw/zinc/26/98/55/638269855.db2.gz DORFJACWUVZBPV-UHFFFAOYSA-N 0 1 312.772 2.429 20 10 DECDMN CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756355056 639652903 /nfs/dbraw/zinc/65/29/03/639652903.db2.gz GUIMGQIZORFVBB-BDAKNGLRSA-N 0 1 315.211 2.330 20 10 DECDMN C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Br)cc1[O-] ZINC000756434366 639661766 /nfs/dbraw/zinc/66/17/66/639661766.db2.gz MCPRNOIWNSLZTJ-GXSJLCMTSA-N 0 1 316.195 2.221 20 10 DECDMN CN(C[C@H]1CCC[N@H+]1C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000321006894 639894205 /nfs/dbraw/zinc/89/42/05/639894205.db2.gz ROIAKZFZMRBLIE-STMXVASLSA-N 0 1 319.361 2.223 20 10 DECDMN COc1ccc(CN(C)Cc2cc3c(cc2O)OCO3)cn1 ZINC000757918206 639895105 /nfs/dbraw/zinc/89/51/05/639895105.db2.gz XVFKQADUCFEOEW-UHFFFAOYSA-N 0 1 302.330 2.157 20 10 DECDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897822934 640945305 /nfs/dbraw/zinc/94/53/05/640945305.db2.gz NZXCIPBZOWIZHE-QXJJFIIZSA-N 0 1 310.191 2.420 20 10 DECDMN Oc1c(F)cc(Br)cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898183754 641053427 /nfs/dbraw/zinc/05/34/27/641053427.db2.gz MPPLUWFOJXNZAW-WDEREUQCSA-N 0 1 322.149 2.199 20 10 DECDMN CCOc1ccc(O)c(CN2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000768191423 641058483 /nfs/dbraw/zinc/05/84/83/641058483.db2.gz HHUTUKNHMIVKHH-KRWDZBQOSA-N 0 1 320.433 2.088 20 10 DECDMN COC1CCC([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768446605 641082466 /nfs/dbraw/zinc/08/24/66/641082466.db2.gz LKDJWLUTLAHHLO-SEEARECTSA-N 0 1 307.390 2.207 20 10 DECDMN COC1CCC([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768446605 641082470 /nfs/dbraw/zinc/08/24/70/641082470.db2.gz LKDJWLUTLAHHLO-SEEARECTSA-N 0 1 307.390 2.207 20 10 DECDMN CCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774815938 641969821 /nfs/dbraw/zinc/96/98/21/641969821.db2.gz VZWIRHXKENTWRE-LBPRGKRZSA-N 0 1 310.350 2.310 20 10 DECDMN CCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774815938 641969825 /nfs/dbraw/zinc/96/98/25/641969825.db2.gz VZWIRHXKENTWRE-LBPRGKRZSA-N 0 1 310.350 2.310 20 10 DECDMN COc1cc(O)c(CN(C)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000777220387 642247208 /nfs/dbraw/zinc/24/72/08/642247208.db2.gz QITVACHCXIBLIB-LLVKDONJSA-N 0 1 324.421 2.144 20 10 DECDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CCO)c1[O-] ZINC000779203114 642471584 /nfs/dbraw/zinc/47/15/84/642471584.db2.gz ZIXFUFXVBOSVCG-LLVKDONJSA-N 0 1 300.742 2.301 20 10 DECDMN CCc1cc(O)ccc1NS(=O)(=O)c1cnc2n1CCCC2 ZINC000901916015 642822441 /nfs/dbraw/zinc/82/24/41/642822441.db2.gz HDVUTBCFGXKWAB-UHFFFAOYSA-N 0 1 321.402 2.288 20 10 DECDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1scnc1C1CC1 ZINC000782326674 642861744 /nfs/dbraw/zinc/86/17/44/642861744.db2.gz 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/nfs/dbraw/zinc/54/20/36/796542036.db2.gz IZOLORVWSWOSMV-LLVKDONJSA-N 0 1 307.300 2.114 20 10 DECDMN CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])CC[C@@H]21 ZINC001203665260 796555946 /nfs/dbraw/zinc/55/59/46/796555946.db2.gz FEUNZBNJZTVMPO-FZMZJTMJSA-N 0 1 308.809 2.488 20 10 DECDMN CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])CC[C@@H]21 ZINC001203665260 796555949 /nfs/dbraw/zinc/55/59/49/796555949.db2.gz FEUNZBNJZTVMPO-FZMZJTMJSA-N 0 1 308.809 2.488 20 10 DECDMN O=C(Nc1cnc2c(c1)COCC2)c1cc(O)c(O)c(Cl)c1 ZINC001193589741 797589309 /nfs/dbraw/zinc/58/93/09/797589309.db2.gz PCPZGKWUKYSLLY-UHFFFAOYSA-N 0 1 320.732 2.471 20 10 DECDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCc2cnccc2C1 ZINC001193589062 797589557 /nfs/dbraw/zinc/58/95/57/797589557.db2.gz AXTFPRXFJXZFSQ-UHFFFAOYSA-N 0 1 304.733 2.345 20 10 DECDMN O=C(NCc1cn(CC2CC2)cn1)c1cc(O)c(O)c(Cl)c1 ZINC001193634428 797597360 /nfs/dbraw/zinc/59/73/60/797597360.db2.gz WDIKLZYPARUAOY-UHFFFAOYSA-N 0 1 321.764 2.288 20 10 DECDMN COC1(OC)CC([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001203759683 800119579 /nfs/dbraw/zinc/11/95/79/800119579.db2.gz MZYUXJGTFLRVCN-UHFFFAOYSA-N 0 1 316.195 2.396 20 10 DECDMN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(O)cc1O ZINC001204280012 800200560 /nfs/dbraw/zinc/20/05/60/800200560.db2.gz IRUGEFRVLNFJQM-UHFFFAOYSA-N 0 1 310.394 2.444 20 10 DECDMN O=C([O-])c1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001231446957 801667005 /nfs/dbraw/zinc/66/70/05/801667005.db2.gz MPDGGQFXLUBPSJ-KGLIPLIRSA-N 0 1 303.358 2.424 20 10 DECDMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](N3CCCCC3)C2)c(O)c1 ZINC001231452728 801668348 /nfs/dbraw/zinc/66/83/48/801668348.db2.gz TXURLLKRTNASIW-HNNXBMFYSA-N 0 1 304.390 2.151 20 10 DECDMN O=C([O-])c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(O)c1 ZINC001231452728 801668351 /nfs/dbraw/zinc/66/83/51/801668351.db2.gz TXURLLKRTNASIW-HNNXBMFYSA-N 0 1 304.390 2.151 20 10 DECDMN O=C([O-])c1ccc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)c(O)c1 ZINC001231452164 801668785 /nfs/dbraw/zinc/66/87/85/801668785.db2.gz 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/nfs/dbraw/zinc/81/37/01/801813701.db2.gz DOEHFBMVQWHJDF-AWEZNQCLSA-N 0 1 310.825 2.133 20 10 DECDMN COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)cc1Cl ZINC001232267110 801833876 /nfs/dbraw/zinc/83/38/76/801833876.db2.gz WJHKIAMCQUYFGU-VXGBXAGGSA-N 0 1 303.761 2.349 20 10 DECDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)cc1Cl ZINC001232267110 801833882 /nfs/dbraw/zinc/83/38/82/801833882.db2.gz WJHKIAMCQUYFGU-VXGBXAGGSA-N 0 1 303.761 2.349 20 10 DECDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)cc1Cl ZINC001232267110 801833888 /nfs/dbraw/zinc/83/38/88/801833888.db2.gz WJHKIAMCQUYFGU-VXGBXAGGSA-N 0 1 303.761 2.349 20 10 DECDMN CC[N@@H+](CCOC)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401465 801870273 /nfs/dbraw/zinc/87/02/73/801870273.db2.gz KNYDGOGZILMQGW-UHFFFAOYSA-N 0 1 304.390 2.433 20 10 DECDMN CCN(CCOC)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401465 801870278 /nfs/dbraw/zinc/87/02/78/801870278.db2.gz KNYDGOGZILMQGW-UHFFFAOYSA-N 0 1 304.390 2.433 20 10 DECDMN COc1cc2c(cn1)CCN(Cc1ccc(N(C)C)cc1O)C2 ZINC001232841838 801970732 /nfs/dbraw/zinc/97/07/32/801970732.db2.gz UHLVQRIZMLUSHX-UHFFFAOYSA-N 0 1 313.401 2.420 20 10 DECDMN CN(CCCC(=O)c1cccnc1)Cc1cc(O)c(O)c(O)c1 ZINC001233014108 802003158 /nfs/dbraw/zinc/00/31/58/802003158.db2.gz ZKRQFKKFACHLCW-UHFFFAOYSA-N 0 1 316.357 2.293 20 10 DECDMN OC[C@]1(F)CCN(Cc2c(O)cc(Br)cc2F)C1 ZINC001233027803 802007261 /nfs/dbraw/zinc/00/72/61/802007261.db2.gz ZVXBVIOUNAISAX-LBPRGKRZSA-N 0 1 322.149 2.200 20 10 DECDMN COc1cc(O)c(CN2CCC[C@H]2CO)cc1Br ZINC001233138134 802034910 /nfs/dbraw/zinc/03/49/10/802034910.db2.gz WEKOKHQWJPIMJX-JTQLQIEISA-N 0 1 316.195 2.120 20 10 DECDMN Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233336492 802080069 /nfs/dbraw/zinc/08/00/69/802080069.db2.gz NUFAGORKFPKARD-LLVKDONJSA-N 0 1 321.327 2.422 20 10 DECDMN COc1cc(O)c(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1OC ZINC001604732350 973938464 /nfs/dbraw/zinc/93/84/64/973938464.db2.gz XJVJVSSADUKGPF-MNOVXSKESA-N 0 1 309.362 2.095 20 10 DECDMN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001590462316 990034076 /nfs/dbraw/zinc/03/40/76/990034076.db2.gz TUGSDEHCCPWISQ-IMRBUKKESA-N 0 1 305.374 2.158 20 10 DECDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(N2CCC(O)CC2)cc1 ZINC001591587131 992797006 /nfs/dbraw/zinc/79/70/06/992797006.db2.gz RXINJZSTTBIUOF-UHFFFAOYSA-N 0 1 320.433 2.333 20 10 DECDMN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCCN1CCOCC1 ZINC001461049082 1058578104 /nfs/dbraw/zinc/57/81/04/1058578104.db2.gz FKMYFMNRMHKMIW-UHFFFAOYSA-N 0 1 316.804 2.387 20 10 DECDMN CC(C)C1(O)CN(Cc2cc(Br)cc(F)c2O)C1 ZINC001621379674 1078173552 /nfs/dbraw/zinc/17/35/52/1078173552.db2.gz BTURVSMALCDETR-UHFFFAOYSA-N 0 1 318.186 2.497 20 10 DECDMN O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001621447573 1078174645 /nfs/dbraw/zinc/17/46/45/1078174645.db2.gz ZYZNFJQHEIBWDU-NSHDSACASA-N 0 1 310.344 2.115 20 10 DECDMN CN(C)c1ccc(CN(C)C(=O)c2c[nH]cc3ncnc2-3)cc1 ZINC001623386732 1078202352 /nfs/dbraw/zinc/20/23/52/1078202352.db2.gz IRHSNBOYEARJDL-UHFFFAOYSA-N 0 1 309.373 2.296 20 10 DECDMN Cn1c2ccc(F)cc2c(C[NH2+]Cc2ccon2)c1C(=O)[O-] ZINC001600902613 1077299484 /nfs/dbraw/zinc/29/94/84/1077299484.db2.gz XVPCAYKTDBYPJV-UHFFFAOYSA-N 0 1 303.293 2.293 20 10 DECDMN CCOc1cccc(C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-])c1O ZINC001610044167 1077971815 /nfs/dbraw/zinc/97/18/15/1077971815.db2.gz CZCCBUCUMVOOOA-ZDUSSCGKSA-N 0 1 311.378 2.101 20 10 DECDMN COc1ccc(N2CC[C@H](NCc3nc(CO)cs3)C2)cc1 ZINC001656609970 1080106469 /nfs/dbraw/zinc/10/64/69/1080106469.db2.gz CFOQYFPGDPUHHL-LBPRGKRZSA-N 0 1 319.430 2.013 20 10 DECDMN O=C1NCCN(Cc2cc(F)cc(F)c2O)[C@@H]1c1ccccc1 ZINC001657275033 1080169042 /nfs/dbraw/zinc/16/90/42/1080169042.db2.gz ZORVXSFADGNUTE-OAHLLOKOSA-N 0 1 318.323 2.344 20 10 DECDMN COc1cc(C)c(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(O)c1 ZINC001658638517 1080213413 /nfs/dbraw/zinc/21/34/13/1080213413.db2.gz PCTOQYBVRUXGCA-CQSZACIVSA-N 0 1 320.433 2.446 20 10 DECDMN C[C@@H](NS(=O)(=O)c1cc(O)cc(F)c1)c1ccccc1O ZINC001663669861 1080800403 /nfs/dbraw/zinc/80/04/03/1080800403.db2.gz CKXIQPINNYYGKU-SECBINFHSA-N 0 1 311.334 2.276 20 10 DECDMN [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001276538628 1083484818 /nfs/dbraw/zinc/48/48/18/1083484818.db2.gz YPENTEUSYBKSFV-GASCZTMLSA-N 0 1 316.380 2.103 20 10 DECDMN COc1ccc(O)c(CN2CC[C@@H]3C[C@@]32C(=O)NC(C)(C)C)c1 ZINC001277464488 1083985403 /nfs/dbraw/zinc/98/54/03/1083985403.db2.gz YALVWEJQKZUQHY-ACJLOTCBSA-N 0 1 318.417 2.280 20 10 DECDMN Oc1c(F)cc(Br)cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001235068553 1084295285 /nfs/dbraw/zinc/29/52/85/1084295285.db2.gz KTSVRQQFAAETDS-AOOOYVTPSA-N 0 1 302.143 2.267 20 10 DECDMN Cc1cc(Br)c([O-])c(CN2CC[C@H]3[NH2+]CC[C@H]32)c1 ZINC001235080429 1084303045 /nfs/dbraw/zinc/30/30/45/1084303045.db2.gz ZNUFBNFICCSLSD-CHWSQXEVSA-N 0 1 311.223 2.399 20 10 DECDMN OC[C@]1(F)CCN(Cc2cc(F)cc(Br)c2O)C1 ZINC001235296544 1084376966 /nfs/dbraw/zinc/37/69/66/1084376966.db2.gz KDCSNFPPIMQLJG-LBPRGKRZSA-N 0 1 322.149 2.200 20 10 DECDMN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC001235299314 1084378287 /nfs/dbraw/zinc/37/82/87/1084378287.db2.gz UCMPEFNLUCWQDW-VIFPVBQESA-N 0 1 318.186 2.498 20 10 DECDMN Oc1c(Br)cc(F)cc1CN1CC2(CCO2)C1 ZINC001235303339 1084379967 /nfs/dbraw/zinc/37/99/67/1084379967.db2.gz NBOJGUDNKAYXOK-UHFFFAOYSA-N 0 1 302.143 2.269 20 10 DECDMN CCCOc1ccc(C[NH2+][C@@H](Cc2ccn[nH]2)C(=O)[O-])cc1C ZINC001262383855 1126161853 /nfs/dbraw/zinc/16/18/53/1126161853.db2.gz MCWUEQPKYXGZTA-HNNXBMFYSA-N 0 1 317.389 2.292 20 10 DECDMN CN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C2)C1=O ZINC001274441966 1091244791 /nfs/dbraw/zinc/24/47/91/1091244791.db2.gz KEKDIZHGQOHOET-OAHLLOKOSA-N 0 1 312.772 2.239 20 10 DECDMN C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[O-])CS1(=O)=O ZINC001308854830 1092034984 /nfs/dbraw/zinc/03/49/84/1092034984.db2.gz RDVGRVLBPRTMJP-CABZTGNLSA-N 0 1 303.811 2.101 20 10 DECDMN COc1cccc(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c1O ZINC000878667594 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CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001274528414 1091287523 /nfs/dbraw/zinc/28/75/23/1091287523.db2.gz JESYNHZNXDDVRW-LLVKDONJSA-N 0 1 324.808 2.099 20 10 DECDMN O=C1NCC[C@H]2C[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]12 ZINC001236798731 1138431892 /nfs/dbraw/zinc/43/18/92/1138431892.db2.gz LLGLVOSTKSRLSS-WCBMZHEXSA-N 0 1 315.200 2.267 20 10 DECDMN COc1cc(C)c(CN2CCN(c3nccs3)CC2)c(O)c1 ZINC001236818234 1138438736 /nfs/dbraw/zinc/43/87/36/1138438736.db2.gz JQAXFJPYFOQBNV-UHFFFAOYSA-N 0 1 319.430 2.488 20 10 DECDMN CC(C)c1ccc(CN2Cc3ccnn3CC[C@H]2CO)c(O)c1 ZINC001237056273 1138492300 /nfs/dbraw/zinc/49/23/00/1138492300.db2.gz WEWGJHGFINRYQT-KRWDZBQOSA-N 0 1 315.417 2.479 20 10 DECDMN CCC(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237618315 1138718345 /nfs/dbraw/zinc/71/83/45/1138718345.db2.gz FQUIURFASPZLFJ-UHFFFAOYSA-N 0 1 300.761 2.239 20 10 DECDMN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622238 1138719233 /nfs/dbraw/zinc/71/92/33/1138719233.db2.gz PDMNCGHEUJKYDD-LBPRGKRZSA-N 0 1 300.761 2.237 20 10 DECDMN CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622238 1138719226 /nfs/dbraw/zinc/71/92/26/1138719226.db2.gz PDMNCGHEUJKYDD-LBPRGKRZSA-N 0 1 300.761 2.237 20 10 DECDMN CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803997 1138794716 /nfs/dbraw/zinc/79/47/16/1138794716.db2.gz XTWXBQPIWYZRNX-NSHDSACASA-N 0 1 315.776 2.078 20 10 DECDMN CN1CCN(C(=O)c2cccc(O)c2O)C2(CCCCC2)C1 ZINC001293999600 1139072499 /nfs/dbraw/zinc/07/24/99/1139072499.db2.gz GMWHMDXVUNWZEA-UHFFFAOYSA-N 0 1 304.390 2.188 20 10 DECDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1Cl ZINC001248880444 1141829168 /nfs/dbraw/zinc/82/91/68/1141829168.db2.gz JMOZUXCRGKNYBR-XHDPSFHLSA-N 0 1 313.825 2.128 20 10 DECDMN CC(C)(C)c1cc([O-])c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1Cl ZINC001248880444 1141829169 /nfs/dbraw/zinc/82/91/69/1141829169.db2.gz JMOZUXCRGKNYBR-XHDPSFHLSA-N 0 1 313.825 2.128 20 10 DECDMN COC(=O)Cc1ccc(C[N@H+](C(C)C)C2CCOCC2)c([O-])c1 ZINC001249217998 1141860591 /nfs/dbraw/zinc/86/05/91/1141860591.db2.gz VUPGCLZZUJYXFJ-UHFFFAOYSA-N 0 1 321.417 2.497 20 10 DECDMN COC(=O)Cc1ccc(C[N@@H+](C(C)C)C2CCOCC2)c([O-])c1 ZINC001249217998 1141860592 /nfs/dbraw/zinc/86/05/92/1141860592.db2.gz VUPGCLZZUJYXFJ-UHFFFAOYSA-N 0 1 321.417 2.497 20 10 DECDMN COc1c([O-])c(C[NH2+][C@@H](C)c2nccnc2C)ccc1[N+](=O)[O-] ZINC001308928799 1147490065 /nfs/dbraw/zinc/49/00/65/1147490065.db2.gz UEHXQRWWPDODBM-JTQLQIEISA-N 0 1 318.333 2.258 20 10 DECDMN CC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1cc(Br)ccc1[O-] ZINC000042560481 190671690 /nfs/dbraw/zinc/67/16/90/190671690.db2.gz DIVQITLQUOYELG-GZMMTYOYSA-N 0 1 315.211 2.330 20 10 DECDMN Cc1cc(O)c(CN2CCC(CS(C)(=O)=O)CC2)cc1C ZINC000292102239 131624441 /nfs/dbraw/zinc/62/44/41/131624441.db2.gz PHILBDRMESKGPM-UHFFFAOYSA-N 0 1 311.447 2.266 20 10 DECDMN CN(Cc1c(O)ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014285131 401811406 /nfs/dbraw/zinc/81/14/06/401811406.db2.gz RQFAYLLIVCIOCF-CYBMUJFWSA-N 0 1 305.399 2.164 20 10 DECDMN c1cc(N2CCOCC2)ccc1CN1CCOC2(CCC2)C1 ZINC000093640182 402017677 /nfs/dbraw/zinc/01/76/77/402017677.db2.gz NEOYJOJSGWZJRS-UHFFFAOYSA-N 0 1 302.418 2.278 20 10 DECDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)c1[O-] ZINC000177145340 402375107 /nfs/dbraw/zinc/37/51/07/402375107.db2.gz WKFSHOICEJYAGS-ZDUSSCGKSA-N 0 1 312.797 2.238 20 10 DECDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000227439447 402332436 /nfs/dbraw/zinc/33/24/36/402332436.db2.gz IZGZVTOLXUMVGH-SECBINFHSA-N 0 1 314.101 2.168 20 10 DECDMN C[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCc2ccccc2C1 ZINC000166499687 402484954 /nfs/dbraw/zinc/48/49/54/402484954.db2.gz QXIDYIVURCKNQR-OAHLLOKOSA-N 0 1 323.440 2.374 20 10 DECDMN CCOC(=O)N1CCCN(Cc2cccc(OCC)c2O)CC1 ZINC000179747329 402599729 /nfs/dbraw/zinc/59/97/29/402599729.db2.gz CGJCWHLTKXSZCU-UHFFFAOYSA-N 0 1 322.405 2.455 20 10 DECDMN Cc1ccc(C(=O)N2CCN(C)CC23CCCCC3)c(O)c1O ZINC000182534255 402697841 /nfs/dbraw/zinc/69/78/41/402697841.db2.gz HVOQUUYMQAERJE-UHFFFAOYSA-N 0 1 318.417 2.497 20 10 DECDMN CCNC(=O)[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280275786 402982926 /nfs/dbraw/zinc/98/29/26/402982926.db2.gz MGZPQDOOIFTBJC-JTQLQIEISA-N 0 1 317.355 2.386 20 10 DECDMN C[C@@H](C(=O)NCCc1ccc(N)cc1)N(C)Cc1ccccc1 ZINC000269152607 403124108 /nfs/dbraw/zinc/12/41/08/403124108.db2.gz VHAUQYAAWNUFRA-HNNXBMFYSA-N 0 1 311.429 2.448 20 10 DECDMN C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1O ZINC000282242026 403135723 /nfs/dbraw/zinc/13/57/23/403135723.db2.gz JCNWXLREPIPCSY-CYBMUJFWSA-N 0 1 309.429 2.208 20 10 DECDMN Cc1cc(CN2CCN(c3cnn(C)c3)CC2)ccc1N(C)C ZINC000292767131 403377716 /nfs/dbraw/zinc/37/77/16/403377716.db2.gz JHSPCICFBPWGSB-UHFFFAOYSA-N 0 1 313.449 2.117 20 10 DECDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H](C)S1(=O)=O ZINC000293813879 403570268 /nfs/dbraw/zinc/57/02/68/403570268.db2.gz FHJPYAMLTFADHL-RKDXNWHRSA-N 0 1 321.801 2.192 20 10 DECDMN COc1cccc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1O ZINC000293966622 403611860 /nfs/dbraw/zinc/61/18/60/403611860.db2.gz QGRIBRIGXOJJPQ-MRXNPFEDSA-N 0 1 301.386 2.436 20 10 DECDMN CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000834898949 649858681 /nfs/dbraw/zinc/85/86/81/649858681.db2.gz CPCQZACWSUFINT-RKDXNWHRSA-N 0 1 315.211 2.330 20 10 DECDMN CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C(=O)NC ZINC000834913981 649859680 /nfs/dbraw/zinc/85/96/80/649859680.db2.gz RTIGMVQGDOUDPU-KCJUWKMLSA-N 0 1 315.211 2.330 20 10 DECDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000364586606 303320481 /nfs/dbraw/zinc/32/04/81/303320481.db2.gz ZJRIHFOEHJTRCV-ITMYJUKJSA-N 0 1 312.772 2.271 20 10 DECDMN COc1c([O-])c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000364829635 521875656 /nfs/dbraw/zinc/87/56/56/521875656.db2.gz CXIOQPWTGVKIGI-BXUZGUMPSA-N 0 1 322.361 2.310 20 10 DECDMN CCc1nc(CN(C)c2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000158665070 522291094 /nfs/dbraw/zinc/29/10/94/522291094.db2.gz ULEQEILKUSPACE-UHFFFAOYSA-N 0 1 306.366 2.029 20 10 DECDMN C[C@H](CS(C)(=O)=O)[N@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000180245483 524602304 /nfs/dbraw/zinc/60/23/04/524602304.db2.gz NXKLNPMLHDYMAJ-SNVBAGLBSA-N 0 1 317.838 2.443 20 10 DECDMN C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000180245483 524602312 /nfs/dbraw/zinc/60/23/12/524602312.db2.gz NXKLNPMLHDYMAJ-SNVBAGLBSA-N 0 1 317.838 2.443 20 10 DECDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000129456239 525306227 /nfs/dbraw/zinc/30/62/27/525306227.db2.gz CUJCEHBVOVSPNJ-ZDUSSCGKSA-N 0 1 300.742 2.301 20 10 DECDMN Cc1cc(Br)c(O)c(C[N@H+](C)CCC(=O)[O-])c1 ZINC000820949335 597713529 /nfs/dbraw/zinc/71/35/29/597713529.db2.gz QIAVNNXFQUHJGO-UHFFFAOYSA-N 0 1 302.168 2.370 20 10 DECDMN Cc1cc(Br)c(O)c(C[N@@H+](C)CCC(=O)[O-])c1 ZINC000820949335 597713533 /nfs/dbraw/zinc/71/35/33/597713533.db2.gz QIAVNNXFQUHJGO-UHFFFAOYSA-N 0 1 302.168 2.370 20 10 DECDMN C[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@H]1CCOC1 ZINC000737454199 600078217 /nfs/dbraw/zinc/07/82/17/600078217.db2.gz CXGVLKFGHRIFKT-LBPRGKRZSA-N 0 1 301.342 2.464 20 10 DECDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)CNC(=O)[O-])c1O ZINC000823628902 603752159 /nfs/dbraw/zinc/75/21/59/603752159.db2.gz YOPCIKGGTOCMQA-MRVPVSSYSA-N 0 1 314.769 2.336 20 10 DECDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)CNC(=O)[O-])c1O ZINC000823628902 603752162 /nfs/dbraw/zinc/75/21/62/603752162.db2.gz YOPCIKGGTOCMQA-MRVPVSSYSA-N 0 1 314.769 2.336 20 10 DECDMN COc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(O)c1OC ZINC000891595998 624488957 /nfs/dbraw/zinc/48/89/57/624488957.db2.gz IALGLOBXOABVJA-GFCCVEGCSA-N 0 1 307.390 2.410 20 10 DECDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(Cl)c1 ZINC000840941474 634972285 /nfs/dbraw/zinc/97/22/85/634972285.db2.gz AXSAVITXRYPEPJ-ZIBATOQPSA-N 0 1 308.809 2.440 20 10 DECDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(Cl)c1 ZINC000840941474 634972286 /nfs/dbraw/zinc/97/22/86/634972286.db2.gz AXSAVITXRYPEPJ-ZIBATOQPSA-N 0 1 308.809 2.440 20 10 DECDMN CCOc1cccc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1O ZINC000840978061 636012284 /nfs/dbraw/zinc/01/22/84/636012284.db2.gz ZRYLSRHXNAHGMO-AWEZNQCLSA-N 0 1 306.406 2.280 20 10 DECDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC[C@H]1O ZINC000894498070 637070410 /nfs/dbraw/zinc/07/04/10/637070410.db2.gz SQHZEXZKZPYROO-PRHODGIISA-N 0 1 318.186 2.497 20 10 DECDMN COc1ccncc1CNCc1ccc(OC)c(OC)c1O ZINC000894600513 637119345 /nfs/dbraw/zinc/11/93/45/637119345.db2.gz BGANEHORRVVPGP-UHFFFAOYSA-N 0 1 304.346 2.103 20 10 DECDMN CN(C)c1ccc(CN2CCC(N3CN=NC3=O)CC2)cc1F ZINC000894609014 637123813 /nfs/dbraw/zinc/12/38/13/637123813.db2.gz HLRPAGXXQJEUMC-UHFFFAOYSA-N 0 1 319.384 2.026 20 10 DECDMN CN1CCN(c2ccc(CNc3cccc4nncn43)cc2)CC1 ZINC000895144203 637661891 /nfs/dbraw/zinc/66/18/91/637661891.db2.gz HFYFWTLHGZQGAU-UHFFFAOYSA-N 0 1 322.416 2.093 20 10 DECDMN Fc1cc(CNCc2ccncc2)cc(F)c1N1CCOCC1 ZINC000839146853 637788969 /nfs/dbraw/zinc/78/89/69/637788969.db2.gz XUXANRQTMCGUNT-UHFFFAOYSA-N 0 1 319.355 2.486 20 10 DECDMN Cn1nccc1[C@@H](CO)NCc1ccc(N2CCCCC2)cc1 ZINC000839179033 637811911 /nfs/dbraw/zinc/81/19/11/637811911.db2.gz JZQYIBRBFNKNLH-QGZVFWFLSA-N 0 1 314.433 2.234 20 10 DECDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1[O-] ZINC000895785637 638195465 /nfs/dbraw/zinc/19/54/65/638195465.db2.gz ZEFFLAWDJATTDR-YDEJPDAXSA-N 0 1 312.753 2.157 20 10 DECDMN C[N@@H+](CCC(=O)[O-])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840997021 650403407 /nfs/dbraw/zinc/40/34/07/650403407.db2.gz HPRPDBNTFIAJPN-UHFFFAOYSA-N 0 1 321.377 2.492 20 10 DECDMN CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1F ZINC000895980182 638295111 /nfs/dbraw/zinc/29/51/11/638295111.db2.gz DHQJCZIPCSIYMZ-HNNXBMFYSA-N 0 1 307.413 2.381 20 10 DECDMN CN(C)c1ccc(CNC(=O)[C@@H]2CCN2C(C)(C)C)cc1F ZINC000895980182 638295116 /nfs/dbraw/zinc/29/51/16/638295116.db2.gz DHQJCZIPCSIYMZ-HNNXBMFYSA-N 0 1 307.413 2.381 20 10 DECDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000753807202 639345107 /nfs/dbraw/zinc/34/51/07/639345107.db2.gz DSVAHKJCPGQFPF-UHFFFAOYSA-N 0 1 323.400 2.444 20 10 DECDMN CN1CCN(c2ccc(C[NH2+]CCCCCC(=O)[O-])cc2)CC1 ZINC000756299091 639645771 /nfs/dbraw/zinc/64/57/71/639645771.db2.gz PVHLCWUZUNNSIH-UHFFFAOYSA-N 0 1 319.449 2.173 20 10 DECDMN Cc1cc(N(C)C)ccc1CNC(=O)c1cnccc1N(C)C ZINC000759865691 640129175 /nfs/dbraw/zinc/12/91/75/640129175.db2.gz GBXOBIGTNLGYAZ-UHFFFAOYSA-N 0 1 312.417 2.452 20 10 DECDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](O)C1CC1 ZINC000809752793 640248451 /nfs/dbraw/zinc/24/84/51/640248451.db2.gz WQGGEOXGIOCDQG-GFCCVEGCSA-N 0 1 300.742 2.157 20 10 DECDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCOC1 ZINC000805226965 640319868 /nfs/dbraw/zinc/31/98/68/640319868.db2.gz RJEZXSZFLVZERC-SECBINFHSA-N 0 1 305.161 2.287 20 10 DECDMN COc1ccc(CN[C@@H](C[NH+]2CCCCC2)C(=O)[O-])cc1C ZINC000841802850 650567501 /nfs/dbraw/zinc/56/75/01/650567501.db2.gz 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Cc1cc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)c(C)n1-c1ccccn1 ZINC000286406912 131235142 /nfs/dbraw/zinc/23/51/42/131235142.db2.gz OSOZHJPYUQOKGP-NSHDSACASA-N 0 1 324.388 2.407 20 10 DECDMN COc1c([O-])c(C[N@@H+](CCO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000278267791 286186726 /nfs/dbraw/zinc/18/67/26/286186726.db2.gz RHUKDMIDMNORBY-UHFFFAOYSA-N 0 1 310.350 2.046 20 10 DECDMN Cc1nc(CN2CCN(Cc3ccccc3O)CC2)oc1C ZINC000179569854 402595082 /nfs/dbraw/zinc/59/50/82/402595082.db2.gz KIKNPAIPILNSJQ-UHFFFAOYSA-N 0 1 301.390 2.315 20 10 DECDMN COc1ccc(O)c(CN(CCO)Cc2ccccc2OC)c1 ZINC000179752314 402599706 /nfs/dbraw/zinc/59/97/06/402599706.db2.gz ABVBBXHGDIBOAO-UHFFFAOYSA-N 0 1 317.385 2.404 20 10 DECDMN CCOC(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000173354554 402693893 /nfs/dbraw/zinc/69/38/93/402693893.db2.gz JMMVKADRKMBRLK-OAHLLOKOSA-N 0 1 307.390 2.326 20 10 DECDMN COc1c([O-])c(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278140132 402859246 /nfs/dbraw/zinc/85/92/46/402859246.db2.gz AVSHUIQBCFWBRI-LLVKDONJSA-N 0 1 322.361 2.310 20 10 DECDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(O)c2O)n[nH]1 ZINC000277129891 403197521 /nfs/dbraw/zinc/19/75/21/403197521.db2.gz UHJDUNZMYIYWSU-RKDXNWHRSA-N 0 1 304.350 2.220 20 10 DECDMN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)CN1CCOCC1 ZINC000271099523 403264031 /nfs/dbraw/zinc/26/40/31/403264031.db2.gz JVCRUAUSKRCCOR-HNNXBMFYSA-N 0 1 320.433 2.099 20 10 DECDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000292728514 403375422 /nfs/dbraw/zinc/37/54/22/403375422.db2.gz GCIZVFHMAFMHSG-KWQFWETISA-N 0 1 300.742 2.299 20 10 DECDMN CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294887505 403736806 /nfs/dbraw/zinc/73/68/06/403736806.db2.gz ILNLGKSCHYPSMX-LLVKDONJSA-N 0 1 310.369 2.041 20 10 DECDMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294887505 403736810 /nfs/dbraw/zinc/73/68/10/403736810.db2.gz ILNLGKSCHYPSMX-LLVKDONJSA-N 0 1 310.369 2.041 20 10 DECDMN C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c([O-])cccc1Cl 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20 10 DECDMN COCC(COC)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000834893085 649858277 /nfs/dbraw/zinc/85/82/77/649858277.db2.gz STXPYGQYARXWSO-VIFPVBQESA-N 0 1 318.211 2.467 20 10 DECDMN COc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000373642284 534200872 /nfs/dbraw/zinc/20/08/72/534200872.db2.gz ULWBCQWTIIGDPK-GUYCJALGSA-N 0 1 307.390 2.171 20 10 DECDMN COc1ccc(CN[C@@H](C)C(=O)NCc2ccco2)cc1C ZINC000237256311 524074141 /nfs/dbraw/zinc/07/41/41/524074141.db2.gz XELIVWNLWUEUEU-ZDUSSCGKSA-N 0 1 302.374 2.391 20 10 DECDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000180453838 526326879 /nfs/dbraw/zinc/32/68/79/526326879.db2.gz RRXCLIWRCPURKS-CYBMUJFWSA-N 0 1 310.825 2.200 20 10 DECDMN CN(C)c1ccc(/C=C/CNCC(=O)NC2CCCC2)cc1 ZINC000835035377 649870054 /nfs/dbraw/zinc/87/00/54/649870054.db2.gz CEZDZVFXXIYOIE-AATRIKPKSA-N 0 1 301.434 2.414 20 10 DECDMN CC1(C)CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](CO)O1 ZINC001327572889 1148589509 /nfs/dbraw/zinc/58/95/09/1148589509.db2.gz JELDCNAUYUHWQL-KRWDZBQOSA-N 0 1 304.434 2.259 20 10 DECDMN O=[S@](CC[NH2+]Cc1ccc(Cl)cc1[O-])CC(F)(F)F ZINC001474626096 1152558179 /nfs/dbraw/zinc/55/81/79/1152558179.db2.gz SNLHGKOGCSCIQE-LJQANCHMSA-N 0 1 315.744 2.446 20 10 DECDMN COc1cc(O)c(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000820775069 598098089 /nfs/dbraw/zinc/09/80/89/598098089.db2.gz KBNIWIGHTOLPPI-LLVKDONJSA-N 0 1 309.362 2.096 20 10 DECDMN CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000320809689 600161837 /nfs/dbraw/zinc/16/18/37/600161837.db2.gz ZVNCJDCENYEZRU-AGLBCWCQSA-N 0 1 319.361 2.081 20 10 DECDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000833506170 604768048 /nfs/dbraw/zinc/76/80/48/604768048.db2.gz UQLCHQBJGBCFBO-HNNXBMFYSA-N 0 1 312.385 2.202 20 10 DECDMN CCC(CC)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000049740616 623198631 /nfs/dbraw/zinc/19/86/31/623198631.db2.gz JOYQFHZOFZZDCS-UHFFFAOYSA-N 0 1 303.450 2.491 20 10 DECDMN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCc2nc[nH]c2C1 ZINC000890761465 623200462 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COCCCNC(=O)CN(C)Cc1cc(C(C)C)c(C)cc1O ZINC000122487889 625766170 /nfs/dbraw/zinc/76/61/70/625766170.db2.gz XWIGYESRYIXBDJ-UHFFFAOYSA-N 0 1 322.449 2.409 20 10 DECDMN O=C(c1ccco1)N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000893871919 636051698 /nfs/dbraw/zinc/05/16/98/636051698.db2.gz NRPPQYVWIIZQAX-UHFFFAOYSA-N 0 1 322.311 2.221 20 10 DECDMN Cc1cc(N(C)C)ccc1CN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000840941078 634960962 /nfs/dbraw/zinc/96/09/62/634960962.db2.gz QVCGIKJWFULCFE-QGZVFWFLSA-N 0 1 324.490 2.460 20 10 DECDMN Cc1ccnc(NC(=O)CN(C)Cc2cc(F)cc(F)c2O)c1 ZINC000893987379 636085022 /nfs/dbraw/zinc/08/50/22/636085022.db2.gz VOIKFEVQTYXMHC-UHFFFAOYSA-N 0 1 321.327 2.444 20 10 DECDMN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)cc(F)c2[O-])CN1 ZINC000894095822 636111391 /nfs/dbraw/zinc/11/13/91/636111391.db2.gz SNWYWWLEGZNEKK-YGRLFVJLSA-N 0 1 310.344 2.161 20 10 DECDMN CCOCCOCCNCc1cc(F)c(N(C)C)cc1F ZINC000922945980 636877535 /nfs/dbraw/zinc/87/75/35/636877535.db2.gz YQRJTGUJVMVHEO-UHFFFAOYSA-N 0 1 302.365 2.174 20 10 DECDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922951723 636879974 /nfs/dbraw/zinc/87/99/74/636879974.db2.gz ZQXGDPKSQNZARU-CYBMUJFWSA-N 0 1 310.825 2.389 20 10 DECDMN COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756578061 636902793 /nfs/dbraw/zinc/90/27/93/636902793.db2.gz WJNZKKNXUVQGDH-RNCFNFMXSA-N 0 1 318.211 2.203 20 10 DECDMN Cc1cc(CN2CCC([N@@H+](C)CC(=O)[O-])CC2)ccc1N(C)C ZINC000923234513 637047821 /nfs/dbraw/zinc/04/78/21/637047821.db2.gz HFZIGFPYMOXWRP-UHFFFAOYSA-N 0 1 319.449 2.042 20 10 DECDMN O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(F)cc(F)c1O ZINC000894533750 637094459 /nfs/dbraw/zinc/09/44/59/637094459.db2.gz OYXUEKWFJKLWRV-GXTWGEPZSA-N 0 1 311.328 2.240 20 10 DECDMN CN(Cc1ncnn1CC(F)F)Cc1cc(F)cc(F)c1O ZINC000894589031 637118402 /nfs/dbraw/zinc/11/84/02/637118402.db2.gz IBGLEDWEHBYLFW-UHFFFAOYSA-N 0 1 318.274 2.159 20 10 DECDMN CCc1cc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000738488471 637458486 /nfs/dbraw/zinc/45/84/86/637458486.db2.gz KVSGHQUGOMLLIS-JTQLQIEISA-N 0 1 318.377 2.247 20 10 DECDMN Cc1cccc(O)c1CNCc1cn(C)nc1Br ZINC000896280723 638447908 /nfs/dbraw/zinc/44/79/08/638447908.db2.gz BKXHVYRLBXKNDM-UHFFFAOYSA-N 0 1 310.195 2.486 20 10 DECDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896382314 638495440 /nfs/dbraw/zinc/49/54/40/638495440.db2.gz WXZKDJBXIYMNIV-VIFPVBQESA-N 0 1 301.745 2.380 20 10 DECDMN COC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756592944 639678241 /nfs/dbraw/zinc/67/82/41/639678241.db2.gz KFHIRWXMUBMDQJ-KOLCDFICSA-N 0 1 318.211 2.203 20 10 DECDMN C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000841891681 650595794 /nfs/dbraw/zinc/59/57/94/650595794.db2.gz OOLYHWZQKAPSRL-QWRGUYRKSA-N 0 1 316.804 2.072 20 10 DECDMN CCn1cc(CN(C)Cc2cc(OC)c(OC)cc2O)cn1 ZINC000768444381 641081964 /nfs/dbraw/zinc/08/19/64/641081964.db2.gz AOHDKJKRGMABAW-UHFFFAOYSA-N 0 1 305.378 2.258 20 10 DECDMN CCOc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(O)c1 ZINC000770303768 641354641 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CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000189421465 684380281 /nfs/dbraw/zinc/38/02/81/684380281.db2.gz HYFIMTQXDXIAQA-UHFFFAOYSA-N 0 1 318.354 2.463 20 10 DECDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000222050721 685106901 /nfs/dbraw/zinc/10/69/01/685106901.db2.gz SGFXEQHNVFINRX-LBPRGKRZSA-N 0 1 311.223 2.481 20 10 DECDMN CCN1CCCC[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000246354692 685128811 /nfs/dbraw/zinc/12/88/11/685128811.db2.gz DLPSSTZTOKDDKU-IUODEOHRSA-N 0 1 306.406 2.452 20 10 DECDMN COC(=O)c1cnc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000859257701 685693156 /nfs/dbraw/zinc/69/31/56/685693156.db2.gz DIZJRLFNGGTHEV-LBPRGKRZSA-N 0 1 314.389 2.180 20 10 DECDMN O=C(NCc1ccc2cccnc2c1O)c1[nH]nc2c1CCCC2 ZINC000862028749 686226518 /nfs/dbraw/zinc/22/65/18/686226518.db2.gz JMYJTDFAFKDXLN-UHFFFAOYSA-N 0 1 322.368 2.472 20 10 DECDMN NC(=O)COc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864019787 686603315 /nfs/dbraw/zinc/60/33/15/686603315.db2.gz RGUUZLNFLVUZMR-UHFFFAOYSA-N 0 1 308.284 2.147 20 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