smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)c1nc(-c2cccnc2)no1 ZINC000426399463 231215129 /nfs/dbraw/zinc/21/51/29/231215129.db2.gz VLVJJRIJGTWUPD-LBPRGKRZSA-N 0 1 383.456 3.055 50 0 GGAAMN Cc1ccc2[nH]c(CN(C)C(=O)NC[C@@H]3Cc4ccccc4CN3C)nc2c1 ZINC000426424418 231218719 /nfs/dbraw/zinc/21/87/19/231218719.db2.gz WLHGIKPPYZFIDS-SFHVURJKSA-N 0 1 377.492 3.069 50 0 GGAAMN Cc1ccc2nc(CN(C)C(=O)NC[C@@H]3Cc4ccccc4CN3C)[nH]c2c1 ZINC000426424418 231218723 /nfs/dbraw/zinc/21/87/23/231218723.db2.gz WLHGIKPPYZFIDS-SFHVURJKSA-N 0 1 377.492 3.069 50 0 GGAAMN O=C(c1cccc(-c2cccc(=O)[nH]2)c1)N1CCN(C2CCSCC2)CC1 ZINC000426479130 231225930 /nfs/dbraw/zinc/22/59/30/231225930.db2.gz SKSWWMMYMPTISK-UHFFFAOYSA-N 0 1 383.517 3.108 50 0 GGAAMN Cc1[nH+]ccn1CCC(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)[O-])C1 ZINC000426515441 231234376 /nfs/dbraw/zinc/23/43/76/231234376.db2.gz AAAFRYVDAPTCTC-IPJJNNNSSA-N 0 1 381.476 3.079 50 0 GGAAMN C[C@@H]1CNCCN1C(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)o2)cc1 ZINC000426551050 231239643 /nfs/dbraw/zinc/23/96/43/231239643.db2.gz HHGNJUXULCXAHC-MRXNPFEDSA-N 0 1 381.476 3.007 50 0 GGAAMN CO[C@]12CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000426722431 231255423 /nfs/dbraw/zinc/25/54/23/231255423.db2.gz MBZHGJYNMNNLOK-ZWCUEREDSA-N 0 1 389.492 3.013 50 0 GGAAMN CCc1ccc(CN2CCc3c(C(=O)N4CCCN(C)CC4)csc3C2)nc1 ZINC000426667335 529643139 /nfs/dbraw/zinc/64/31/39/529643139.db2.gz HMMLITZENGDWSS-UHFFFAOYSA-N 0 1 398.576 3.042 50 0 GGAAMN CNCc1nnc(SCc2nc3ccccc3s2)n1C[C@H]1CCCO1 ZINC000426361858 530011352 /nfs/dbraw/zinc/01/13/52/530011352.db2.gz YPCHFGMQRRNDON-GFCCVEGCSA-N 0 1 375.523 3.079 50 0 GGAAMN COc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)c(OC)c1 ZINC000005441571 203826025 /nfs/dbraw/zinc/82/60/25/203826025.db2.gz NHFIAAAMCYVRIW-QGZVFWFLSA-N 0 1 375.446 3.338 50 0 in-vitro GGAAMN COc1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)c(OC)c1 ZINC000005956910 203826672 /nfs/dbraw/zinc/82/66/72/203826672.db2.gz NHFIAAAMCYVRIW-KRWDZBQOSA-N 0 1 375.446 3.338 50 0 in-vitro GGAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000000898263 203863380 /nfs/dbraw/zinc/86/33/80/203863380.db2.gz INKQTJIGAARALN-UHFFFAOYSA-N 0 1 396.472 3.455 50 0 GGAAMN O=c1c2cc(I)ccc2[nH]c(=S)n1Cc1ccccc1 ZINC000004312739 204038108 /nfs/dbraw/zinc/03/81/08/204038108.db2.gz NNCAHROHJUVHBU-UHFFFAOYSA-N 0 1 394.237 3.338 50 0 GGAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000004070120 204026561 /nfs/dbraw/zinc/02/65/61/204026561.db2.gz FTMOCZVJBMCFKG-IBGZPJMESA-N 0 1 382.416 3.032 50 0 GGAAMN CCCOCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000004144246 204029258 /nfs/dbraw/zinc/02/92/58/204029258.db2.gz MRGAHPPNDCLNPY-OAHLLOKOSA-N 0 1 397.269 3.047 50 0 GGAAMN Nc1nc(CSc2nc(-c3ccccc3)n[nH]2)nc(Nc2ccccc2)n1 ZINC000004151514 204029832 /nfs/dbraw/zinc/02/98/32/204029832.db2.gz 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/nfs/dbraw/zinc/07/23/64/204072364.db2.gz VTKBRGQVSXSKDN-AWEZNQCLSA-N 0 1 381.314 3.292 50 0 GGAAMN O=C(Nc1ccc(Cl)cc1)c1cnc(NS(=O)(=O)c2ccccc2)nc1 ZINC000004742598 204072430 /nfs/dbraw/zinc/07/24/30/204072430.db2.gz CDBBAFGRCGUTNE-UHFFFAOYSA-N 0 1 388.836 3.183 50 0 GGAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(C)c(C)s3)n2)cc1 ZINC000004814723 204077919 /nfs/dbraw/zinc/07/79/19/204077919.db2.gz WTBMNYBWZPHQCK-UHFFFAOYSA-N 0 1 375.479 3.284 50 0 GGAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000004837363 204080462 /nfs/dbraw/zinc/08/04/62/204080462.db2.gz UVLGBEOLPJWMGW-KBPBESRZSA-N 0 1 387.480 3.412 50 0 GGAAMN CCSCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000004838133 204081109 /nfs/dbraw/zinc/08/11/09/204081109.db2.gz UEVYXRAUIUPVJC-CQSZACIVSA-N 0 1 399.310 3.373 50 0 GGAAMN CN(C)CCC(=O)O[C@@H]1CCCC[C@H]1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000004474712 204046250 /nfs/dbraw/zinc/04/62/50/204046250.db2.gz DEJVZAYUUCJCJY-IAGOWNOFSA-N 0 1 387.929 3.061 50 0 GGAAMN CN(C(=O)CN)c1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000004543615 204050870 /nfs/dbraw/zinc/05/08/70/204050870.db2.gz LMNUNDIWGIKRIB-UHFFFAOYSA-N 0 1 381.657 3.255 50 0 GGAAMN CCOC(=O)N[C@@](Nc1nc(C2CC2)cs1)(C(=O)OCC)C(F)(F)F ZINC000004558401 204053593 /nfs/dbraw/zinc/05/35/93/204053593.db2.gz ADSCMZREABQCEW-ZDUSSCGKSA-N 0 1 381.376 3.000 50 0 GGAAMN CN(C)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000004585282 204055814 /nfs/dbraw/zinc/05/58/14/204055814.db2.gz ROYFNOOQWFMDBK-UHFFFAOYSA-N 0 1 383.473 3.276 50 0 GGAAMN O=S(=O)(c1ccc(F)cc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004580664 204055969 /nfs/dbraw/zinc/05/59/69/204055969.db2.gz FOYCYQCJHNGHCI-UHFFFAOYSA-N 0 1 378.513 3.101 50 0 GGAAMN Cc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1 ZINC000004601791 204056501 /nfs/dbraw/zinc/05/65/01/204056501.db2.gz DCXJQTSBUCUQKM-UHFFFAOYSA-N 0 1 384.549 3.429 50 0 aggregator GGAAMN Cc1c(Cl)cccc1NC(=S)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000004602385 204056664 /nfs/dbraw/zinc/05/66/64/204056664.db2.gz QKHWJHPPBMROMR-UHFFFAOYSA-N 0 1 394.972 3.151 50 0 GGAAMN Cc1cccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1 ZINC000004624994 204057842 /nfs/dbraw/zinc/05/78/42/204057842.db2.gz JNEYKSIBCOWMDE-FQEVSTJZSA-N 0 1 388.471 3.383 50 0 GGAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000004643468 204059891 /nfs/dbraw/zinc/05/98/91/204059891.db2.gz SRGZNDUNJSGWLR-HXUWFJFHSA-N 0 1 379.416 3.452 50 0 GGAAMN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000005186903 204118082 /nfs/dbraw/zinc/11/80/82/204118082.db2.gz KDXOEFAFDQJXJA-FQEVSTJZSA-N 0 1 392.455 3.299 50 0 GGAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2F)N(CCO)C3=O)c1 ZINC000005342843 204127409 /nfs/dbraw/zinc/12/74/09/204127409.db2.gz FSAWCBPOBVYHBL-LJQANCHMSA-N 0 1 381.407 3.076 50 0 GGAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccccc2)N(CCO)C3=O)cc1Cl ZINC000005342038 204127417 /nfs/dbraw/zinc/12/74/17/204127417.db2.gz SFPKBNLNRJMOFY-IBGZPJMESA-N 0 1 383.835 3.282 50 0 GGAAMN CCCOCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1Cl ZINC000004987137 204099712 /nfs/dbraw/zinc/09/97/12/204099712.db2.gz PUEOQSLLPPGECA-INIZCTEOSA-N 0 1 376.844 3.190 50 0 GGAAMN O=C1C[C@@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000004997261 204101608 /nfs/dbraw/zinc/10/16/08/204101608.db2.gz BPJBGGYFMIDYPX-JOCHJYFZSA-N 0 1 376.500 3.311 50 0 GGAAMN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3O)n[nH]1)CCCC2 ZINC000005462316 204135180 /nfs/dbraw/zinc/13/51/80/204135180.db2.gz BARSUKUQWANCAS-UHFFFAOYSA-N 0 1 396.472 3.335 50 0 GGAAMN COc1ccc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[nH]n2)cc1 ZINC000005484077 204136340 /nfs/dbraw/zinc/13/63/40/204136340.db2.gz LVEIYBBDLNVAIY-OAHLLOKOSA-N 0 1 391.353 3.192 50 0 GGAAMN CCOC(=O)C1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000005559793 204139735 /nfs/dbraw/zinc/13/97/35/204139735.db2.gz YTGSFLLFXSOZOS-AWEZNQCLSA-N 0 1 376.280 3.008 50 0 GGAAMN CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000005573619 204140775 /nfs/dbraw/zinc/14/07/75/204140775.db2.gz 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204186626 /nfs/dbraw/zinc/18/66/26/204186626.db2.gz GMKSKNQLYUHEQM-UHFFFAOYSA-N 0 1 388.424 3.359 50 0 GGAAMN Cc1cc(C)c(-c2[nH]nc3c2[C@H](c2ccccc2F)N(CCO)C3=O)c(O)c1 ZINC000006743284 204197985 /nfs/dbraw/zinc/19/79/85/204197985.db2.gz XAOIZENBHKJVRL-FQEVSTJZSA-N 0 1 381.407 3.076 50 0 GGAAMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(OC)c1 ZINC000006752845 204200121 /nfs/dbraw/zinc/20/01/21/204200121.db2.gz IDKJGMVAMKNQHE-OAQYLSRUSA-N 0 1 393.443 3.373 50 0 GGAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)cc1 ZINC000006753034 204200895 /nfs/dbraw/zinc/20/08/95/204200895.db2.gz FKIGYZNWQGFSGU-NRFANRHFSA-N 0 1 393.443 3.109 50 0 GGAAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCO)cc1 ZINC000006753194 204200958 /nfs/dbraw/zinc/20/09/58/204200958.db2.gz QBDCLMYITLYYAY-NRFANRHFSA-N 0 1 377.444 3.191 50 0 aggregator GGAAMN COCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OC)cc1 ZINC000006753223 204201093 /nfs/dbraw/zinc/20/10/93/204201093.db2.gz CRRIDEKIIXOTMZ-OAQYLSRUSA-N 0 1 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O=C1NC(=O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000008995280 204297458 /nfs/dbraw/zinc/29/74/58/204297458.db2.gz SSWBPOGUYBIMJC-LAUBAEHRSA-N 0 1 379.391 3.460 50 0 GGAAMN CCc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1 ZINC000009015684 204297542 /nfs/dbraw/zinc/29/75/42/204297542.db2.gz MMRGJLXCPOPKPD-QFIPXVFZSA-N 0 1 377.444 3.024 50 0 GGAAMN COCCN1CCCc2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc21 ZINC000035588233 204262679 /nfs/dbraw/zinc/26/26/79/204262679.db2.gz JGPZNFGQJKCXGX-UHFFFAOYSA-N 0 1 390.505 3.203 50 0 GGAAMN COC(=O)[C@](NC(C)=O)(Nc1nc2ccc(C(C)C)cc2s1)C(F)(F)F ZINC000009012918 204297626 /nfs/dbraw/zinc/29/76/26/204297626.db2.gz ICORAWOTXYMUIN-HNNXBMFYSA-N 0 1 389.399 3.399 50 0 GGAAMN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(O)cc1)N(CCN(C)C)C3=O ZINC000008549529 204279689 /nfs/dbraw/zinc/27/96/89/204279689.db2.gz XIKRHKUBYHQZMR-HXUWFJFHSA-N 0 1 392.455 3.222 50 0 GGAAMN CCOc1ccc(NC(C)=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000009242537 204304012 /nfs/dbraw/zinc/30/40/12/204304012.db2.gz LIRJBVNKBMUDLC-JXAWBTAJSA-N 0 1 379.416 3.050 50 0 GGAAMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2C1 ZINC000036187868 204310251 /nfs/dbraw/zinc/31/02/51/204310251.db2.gz MJCOMWBXOSUBLQ-UHFFFAOYSA-N 0 1 398.406 3.411 50 0 GGAAMN Cc1nc2ccccc2n1Cc1nnc2sc(-c3cc(CC(C)C)n[nH]3)nn12 ZINC000009421227 204311338 /nfs/dbraw/zinc/31/13/38/204311338.db2.gz QVWYFZKXLWGINW-UHFFFAOYSA-N 0 1 392.492 3.481 50 0 GGAAMN O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000036575277 204321656 /nfs/dbraw/zinc/32/16/56/204321656.db2.gz AFLWIOPOPHJGTE-UVARLRKDSA-N 0 1 397.862 3.228 50 0 GGAAMN CCCc1cc(CN(C)C(=O)c2cc(COc3ccc(F)cc3F)on2)n[nH]1 ZINC000011663391 204348575 /nfs/dbraw/zinc/34/85/75/204348575.db2.gz XZWZDFRXCLACRG-UHFFFAOYSA-N 0 1 390.390 3.480 50 0 GGAAMN O=C(CCC1CCN(C(=O)CN2CCC(c3ccccc3)CC2)CC1)NC1CC1 ZINC000011709286 204350958 /nfs/dbraw/zinc/35/09/58/204350958.db2.gz SDRLWDWYSIOEFE-UHFFFAOYSA-N 0 1 397.563 3.163 50 0 GGAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)C4CCOCC4)C3)C2)c1 ZINC000011818040 204353788 /nfs/dbraw/zinc/35/37/88/204353788.db2.gz MTMNIDHEZSFVCH-QFIPXVFZSA-N 0 1 390.499 3.075 50 0 GGAAMN CN(C)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccccc1 ZINC000011789960 204354393 /nfs/dbraw/zinc/35/43/93/204354393.db2.gz LNLSDNFQQHBQOB-APWZRJJASA-N 0 1 380.517 3.386 50 0 GGAAMN COc1cccc(CN2C[C@@H]3C[C@@H](c4cc(C(C)C)[nH]n4)N4CCC[C@@]34C2=O)c1 ZINC000011819628 204355214 /nfs/dbraw/zinc/35/52/14/204355214.db2.gz SFTIIIPYALOIFV-HYVJGQCMSA-N 0 1 394.519 3.480 50 0 GGAAMN COc1cccc(OC)c1-c1cnnc(N(C)Cc2nc3cccc(C)c3[nH]2)n1 ZINC000011819977 204356277 /nfs/dbraw/zinc/35/62/77/204356277.db2.gz UNXIFGSJHAOUIM-UHFFFAOYSA-N 0 1 390.447 3.377 50 0 GGAAMN Cc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1 ZINC000011844290 204357087 /nfs/dbraw/zinc/35/70/87/204357087.db2.gz SVLVWVASSKPLFR-UHFFFAOYSA-N 0 1 394.475 3.366 50 0 GGAAMN COC(=O)CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000011873645 204358939 /nfs/dbraw/zinc/35/89/39/204358939.db2.gz ALSOUHMOOYKQFA-NRFANRHFSA-N 0 1 394.462 3.123 50 0 GGAAMN COc1cc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc2c1OCO2 ZINC000011873557 204358969 /nfs/dbraw/zinc/35/89/69/204358969.db2.gz SJDSGJWZJIQKEK-MRXNPFEDSA-N 0 1 378.432 3.172 50 0 GGAAMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N(C)C)cc1OC ZINC000011905391 204360289 /nfs/dbraw/zinc/36/02/89/204360289.db2.gz XBSDLZZTHVLZRS-GOSISDBHSA-N 0 1 395.459 3.392 50 0 GGAAMN CCSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)s1 ZINC000011916813 204361937 /nfs/dbraw/zinc/36/19/37/204361937.db2.gz WTSZELAVGUUTMJ-UHFFFAOYSA-N 0 1 390.446 3.329 50 0 GGAAMN CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1cc(COc2cncc(Cl)c2)on1 ZINC000011935823 204362040 /nfs/dbraw/zinc/36/20/40/204362040.db2.gz YEAUZDSUXLEAKE-UHFFFAOYSA-N 0 1 387.827 3.175 50 0 GGAAMN COc1ccc([C@@H](C)NCc2c(C(=O)N3CCCC3)nc3ccccn32)cc1 ZINC000011935203 204362457 /nfs/dbraw/zinc/36/24/57/204362457.db2.gz XTUKPJFYZJVIGR-MRXNPFEDSA-N 0 1 378.476 3.430 50 0 GGAAMN O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1cn(C2CCCCC2)nn1 ZINC000012000332 204366473 /nfs/dbraw/zinc/36/64/73/204366473.db2.gz XWTVGHMAFOHASQ-FQEVSTJZSA-N 0 1 385.487 3.489 50 0 GGAAMN Cc1ccc(CNC(=O)CC[C@H]2CCCN(c3cc(C)nc(N(C)C)n3)C2)o1 ZINC000012053059 204368778 /nfs/dbraw/zinc/36/87/78/204368778.db2.gz GSYMRBIQAGUEFT-QGZVFWFLSA-N 0 1 385.512 3.065 50 0 GGAAMN CCN1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC1 ZINC000012386269 204403389 /nfs/dbraw/zinc/40/33/89/204403389.db2.gz MARAYJOBVJENDR-UHFFFAOYSA-N 0 1 377.492 3.449 50 0 GGAAMN CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000012196471 204380502 /nfs/dbraw/zinc/38/05/02/204380502.db2.gz VEKYUJDIOXRSTQ-OAHLLOKOSA-N 0 1 380.366 3.467 50 0 GGAAMN CCOC(=O)[C@]1(CCOC)CCCN(Cc2cc(Cl)c(O)c(OC)c2)C1 ZINC000012195635 204381328 /nfs/dbraw/zinc/38/13/28/204381328.db2.gz QFQYHCHEQOYXLX-IBGZPJMESA-N 0 1 385.888 3.236 50 0 GGAAMN Cc1cc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3=O)n[nH]1 ZINC000012300564 204391423 /nfs/dbraw/zinc/39/14/23/204391423.db2.gz AWXACFRQSSSILL-HSZRJFAPSA-N 0 1 394.519 3.496 50 0 GGAAMN O=C1C[C@H](NCc2cccc3c2OCO3)CN1Cc1ccccc1C(F)(F)F ZINC000012301589 204391699 /nfs/dbraw/zinc/39/16/99/204391699.db2.gz QWCYGMWGISNKOV-HNNXBMFYSA-N 0 1 392.377 3.325 50 0 GGAAMN COC[C@@H]1CCCN(C(=O)c2cc(COc3ccc(OC)cc3Cl)n[nH]2)C1 ZINC000012301870 204392201 /nfs/dbraw/zinc/39/22/01/204392201.db2.gz DSJWGOXDLSMCLX-CYBMUJFWSA-N 0 1 393.871 3.149 50 0 GGAAMN CC[C@@H]1CN(C(=O)c2ccc(N(C)Cc3ccccn3)nc2)CCN1C(C)C ZINC000012305388 204393677 /nfs/dbraw/zinc/39/36/77/204393677.db2.gz ZSPVPMCJIVYBGM-HXUWFJFHSA-N 0 1 381.524 3.058 50 0 GGAAMN O=C(c1cccc(OC2CCN(Cc3ccncc3)CC2)c1)N1CCSCC1 ZINC000012308492 204393947 /nfs/dbraw/zinc/39/39/47/204393947.db2.gz DVPIOAGZJUXPQO-UHFFFAOYSA-N 0 1 397.544 3.314 50 0 GGAAMN c1nc(N2CCCC2)sc1CN[C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000012315730 204396045 /nfs/dbraw/zinc/39/60/45/204396045.db2.gz FINHEQLVQLXAAX-QGZVFWFLSA-N 0 1 380.521 3.491 50 0 GGAAMN O=C(c1csnn1)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000012580965 204428038 /nfs/dbraw/zinc/42/80/38/204428038.db2.gz JZSLYJJBAASIPP-AWEZNQCLSA-N 0 1 392.475 3.191 50 0 GGAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(F)cc1 ZINC000013734275 204510542 /nfs/dbraw/zinc/51/05/42/204510542.db2.gz QYJGASISVRQMCD-CQSZACIVSA-N 0 1 385.786 3.260 50 0 GGAAMN CN(Cc1n[nH]c2c1CCCC2)C(=O)c1coc(COc2ccc(F)cc2)n1 ZINC000015062008 204555010 /nfs/dbraw/zinc/55/50/10/204555010.db2.gz MPJWBGADIGKQJL-UHFFFAOYSA-N 0 1 384.411 3.267 50 0 GGAAMN COc1cc(CN2CCN(Cc3cccc(C)c3)C[C@H]2CCO)cc(OC)c1 ZINC000039393481 205041570 /nfs/dbraw/zinc/04/15/70/205041570.db2.gz NDLFKLWAIDNOID-OAQYLSRUSA-N 0 1 384.520 3.081 50 0 GGAAMN Fc1ccc(Cc2nnc3sc(-c4[nH]ncc4Br)nn23)cc1 ZINC000036365689 205015490 /nfs/dbraw/zinc/01/54/90/205015490.db2.gz RMUCJGPUHVTRKA-UHFFFAOYSA-N 0 1 379.218 3.068 50 0 GGAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)c1 ZINC000040309657 205021606 /nfs/dbraw/zinc/02/16/06/205021606.db2.gz 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GGAAMN Cn1cc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)c2ccccc21 ZINC000039518817 205042727 /nfs/dbraw/zinc/04/27/27/205042727.db2.gz ATNKBFLDVDAFNI-HXUWFJFHSA-N 0 1 381.495 3.386 50 0 GGAAMN CCc1c(C)sc2nc3n(CCN4CCCCC4)nc(SC)n3c(=O)c12 ZINC000040288351 205060888 /nfs/dbraw/zinc/06/08/88/205060888.db2.gz DBENQGIEKPXGLT-UHFFFAOYSA-N 0 1 391.566 3.184 50 0 GGAAMN O=c1[nH]c(CNc2ccc(F)cc2)nn1Cc1ccc(OC(F)(F)F)cc1 ZINC000040283483 205061675 /nfs/dbraw/zinc/06/16/75/205061675.db2.gz LNPGOCCHOPMLRX-UHFFFAOYSA-N 0 1 382.317 3.270 50 0 GGAAMN NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000044838327 205086062 /nfs/dbraw/zinc/08/60/62/205086062.db2.gz UEDAPTYAVDLPMU-UHFFFAOYSA-N 0 1 392.440 3.130 50 0 GGAAMN C[C@@H]1CCC[N@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)C1 ZINC000048087896 205112681 /nfs/dbraw/zinc/11/26/81/205112681.db2.gz AVBZFMTYIYXORG-QGZVFWFLSA-N 0 1 377.492 3.108 50 0 GGAAMN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)C1 ZINC000048087896 205112686 /nfs/dbraw/zinc/11/26/86/205112686.db2.gz AVBZFMTYIYXORG-QGZVFWFLSA-N 0 1 377.492 3.108 50 0 GGAAMN O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 ZINC000049551011 205127953 /nfs/dbraw/zinc/12/79/53/205127953.db2.gz RWVUBXDSRIUGQJ-UHFFFAOYSA-N 0 1 394.818 3.158 50 0 GGAAMN CCN1CCC[C@@H]1CNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC000053274980 205135449 /nfs/dbraw/zinc/13/54/49/205135449.db2.gz SMKICSFSAHPQSE-OAHLLOKOSA-N 0 1 389.521 3.350 50 0 GGAAMN O=C(CSCc1ccccc1Cl)NCCc1nc(-c2cccnc2)n[nH]1 ZINC000055060859 205140823 /nfs/dbraw/zinc/14/08/23/205140823.db2.gz BHPGGUCRBVAMHT-UHFFFAOYSA-N 0 1 387.896 3.112 50 0 GGAAMN O=C(CSCc1ccccc1Cl)NCCc1n[nH]c(-c2cccnc2)n1 ZINC000055060859 205140828 /nfs/dbraw/zinc/14/08/28/205140828.db2.gz BHPGGUCRBVAMHT-UHFFFAOYSA-N 0 1 387.896 3.112 50 0 GGAAMN CCc1ccccc1NC(=O)c1cccc(NC(=O)CN2CCN(CC)CC2)c1 ZINC000055154623 205142545 /nfs/dbraw/zinc/14/25/45/205142545.db2.gz GBBGVGJMMPBWHE-UHFFFAOYSA-N 0 1 394.519 3.077 50 0 GGAAMN Cc1ccc(OCCN(C)C(=O)CSc2nc(-c3ccco3)n[nH]2)c(C)c1 ZINC000055182516 205142614 /nfs/dbraw/zinc/14/26/14/205142614.db2.gz CKEZUBNOJZOUAH-UHFFFAOYSA-N 0 1 386.477 3.311 50 0 GGAAMN Cc1ccnc(NCCNC(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000055154586 205142951 /nfs/dbraw/zinc/14/29/51/205142951.db2.gz SIWATNXIBIMZTB-UHFFFAOYSA-N 0 1 378.835 3.130 50 0 GGAAMN Cc1c(CN2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)cnn1C ZINC000055133892 205143652 /nfs/dbraw/zinc/14/36/52/205143652.db2.gz PEQSRZRFHIDHGG-UHFFFAOYSA-N 0 1 378.524 3.309 50 0 GGAAMN CCOC(=O)C1C(CN2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055220582 205144707 /nfs/dbraw/zinc/14/47/07/205144707.db2.gz ZGOMKRUTEYVKMA-UGSOOPFHSA-N 0 1 391.899 3.386 50 0 GGAAMN Cc1ccc(F)c(NC(=O)CCC(=O)NCCN2CCc3ccccc3C2)c1 ZINC000055211276 205144999 /nfs/dbraw/zinc/14/49/99/205144999.db2.gz JQSWJKGPZKYSEB-UHFFFAOYSA-N 0 1 383.467 3.027 50 0 GGAAMN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055226522 205145816 /nfs/dbraw/zinc/14/58/16/205145816.db2.gz HAGRHDHXBGGFJA-SFHVURJKSA-N 0 1 391.899 3.387 50 0 GGAAMN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055226522 205145821 /nfs/dbraw/zinc/14/58/21/205145821.db2.gz HAGRHDHXBGGFJA-SFHVURJKSA-N 0 1 391.899 3.387 50 0 GGAAMN O=C(Nc1nc(-c2ccccc2)ns1)NC1CCN(Cc2ccncc2)CC1 ZINC000055226195 205146162 /nfs/dbraw/zinc/14/61/62/205146162.db2.gz YSGRRGQWZNVGNT-UHFFFAOYSA-N 0 1 394.504 3.386 50 0 GGAAMN CCCCc1nc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)c[nH]1 ZINC000055254360 205146239 /nfs/dbraw/zinc/14/62/39/205146239.db2.gz HHUUGSKPZUWMHX-IBGZPJMESA-N 0 1 376.545 3.040 50 0 GGAAMN CCc1oc(C(=O)NCc2nc(-c3ccccc3)no2)cc1CN1CCCC1 ZINC000055382858 205146782 /nfs/dbraw/zinc/14/67/82/205146782.db2.gz ANIXDBBGDXRGBN-UHFFFAOYSA-N 0 1 380.448 3.418 50 0 GGAAMN COc1ccccc1-n1cc(-c2ccnc(N(C)Cc3cc(C)[nH]n3)n2)cn1 ZINC000055310680 205147146 /nfs/dbraw/zinc/14/71/46/205147146.db2.gz YNZHYJJSLTXROM-UHFFFAOYSA-N 0 1 375.436 3.006 50 0 GGAAMN O=C(C1CCN(Cc2ccco2)CC1)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055405276 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3.040 50 0 GGAAMN O=C(CCC1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1)NC1CC1 ZINC000011701738 1399006018 /nfs/dbraw/zinc/00/60/18/1399006018.db2.gz ZEXJIMJMAJRBOD-JOCHJYFZSA-N 0 1 397.563 3.339 50 0 GGAAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cn(CCC2CCCCC2)nn1 ZINC000012026469 1399024609 /nfs/dbraw/zinc/02/46/09/1399024609.db2.gz GPKKCBGGFNBIQC-HXUWFJFHSA-N 0 1 381.524 3.253 50 0 GGAAMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cn(CCC2CCCCC2)nn1 ZINC000012026479 1399024793 /nfs/dbraw/zinc/02/47/93/1399024793.db2.gz GPKKCBGGFNBIQC-FQEVSTJZSA-N 0 1 381.524 3.253 50 0 GGAAMN c1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)n(-c2cccnc2)c1 ZINC000012047862 1399025329 /nfs/dbraw/zinc/02/53/29/1399025329.db2.gz LHVYBRSHWLYERH-UHFFFAOYSA-N 0 1 398.514 3.307 50 0 GGAAMN CN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)Cc1n[nH]c2c1CCCC2 ZINC000012299014 1399036364 /nfs/dbraw/zinc/03/63/64/1399036364.db2.gz QAPPGUMGESHYHG-UHFFFAOYSA-N 0 1 393.491 3.092 50 0 GGAAMN COc1ccc(-c2n[nH]cc2CN(C)Cc2n[nH]c3c2CCCC3)c(OC)c1 ZINC000012301601 1399037188 /nfs/dbraw/zinc/03/71/88/1399037188.db2.gz RQPAQONTKZFSJL-UHFFFAOYSA-N 0 1 381.480 3.328 50 0 GGAAMN CN(C(=O)c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1)C1CCOCC1 ZINC000012302918 1399037706 /nfs/dbraw/zinc/03/77/06/1399037706.db2.gz LFQOAETUYREOII-UHFFFAOYSA-N 0 1 383.370 3.259 50 0 GGAAMN CN(Cc1cc(C(=O)N(C)Cc2n[nH]c3c2CCCC3)no1)Cc1ccccc1 ZINC000012317747 1399038653 /nfs/dbraw/zinc/03/86/53/1399038653.db2.gz ZBHWQMOLJNTBSZ-UHFFFAOYSA-N 0 1 393.491 3.181 50 0 GGAAMN CN(C)CCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000012419471 1399041456 /nfs/dbraw/zinc/04/14/56/1399041456.db2.gz HCWOQBBGKBEENP-UHFFFAOYSA-N 0 1 393.440 3.270 50 0 GGAAMN Cc1nnc(SCCNC(=O)c2csc3nc(-c4ccccc4)cn23)[nH]1 ZINC000012439169 1399043018 /nfs/dbraw/zinc/04/30/18/1399043018.db2.gz SOLZDDOSQHGYHG-UHFFFAOYSA-N 0 1 384.490 3.011 50 0 GGAAMN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000012455773 1399043625 /nfs/dbraw/zinc/04/36/25/1399043625.db2.gz FYJCZEKPOMHNTE-HXUWFJFHSA-N 0 1 394.523 3.041 50 0 GGAAMN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)C[C@H](O)CO)c(C)s1 ZINC000012472216 1399044741 /nfs/dbraw/zinc/04/47/41/1399044741.db2.gz HFYPPKXHMJENOO-INIZCTEOSA-N 0 1 389.496 3.142 50 0 GGAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccncc1 ZINC000012585610 1399048797 /nfs/dbraw/zinc/04/87/97/1399048797.db2.gz OVUYYKMZHPBIFW-UHFFFAOYSA-N 0 1 385.483 3.222 50 0 GGAAMN O=C(C1CCOCC1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000012718417 1399055857 /nfs/dbraw/zinc/05/58/57/1399055857.db2.gz KNKWWRDQFPFPKO-OAQYLSRUSA-N 0 1 378.463 3.206 50 0 GGAAMN O=C(CCc1cn[nH]c1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000012836591 1399060710 /nfs/dbraw/zinc/06/07/10/1399060710.db2.gz HQPMZKKHWFODQG-OAQYLSRUSA-N 0 1 388.462 3.135 50 0 GGAAMN COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n[nH]1 ZINC000013366659 1399079337 /nfs/dbraw/zinc/07/93/37/1399079337.db2.gz MNKCYLKHMIQHLH-UHFFFAOYSA-N 0 1 380.423 3.187 50 0 GGAAMN CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1cc(C)no1)C2 ZINC000014748167 1399117780 /nfs/dbraw/zinc/11/77/80/1399117780.db2.gz FBQXMLMLINZIPD-KRWDZBQOSA-N 0 1 399.539 3.253 50 0 GGAAMN CCOc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000014995543 1399130206 /nfs/dbraw/zinc/13/02/06/1399130206.db2.gz GVJQBUGOJWRNMB-LJQANCHMSA-N 0 1 397.523 3.140 50 0 GGAAMN COc1ncc(CN2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)cn1 ZINC000015063711 1399135725 /nfs/dbraw/zinc/13/57/25/1399135725.db2.gz PRFDQYLCYOQDER-NRFANRHFSA-N 0 1 388.462 3.252 50 0 GGAAMN Cc1nc([C@@H](C)NC(=O)Cc2c(C)n(CC(C)C)c3c2C(=O)CC(C)(C)C3)n[nH]1 ZINC000015070854 1399135867 /nfs/dbraw/zinc/13/58/67/1399135867.db2.gz PJXXDBMZYWPUJL-CYBMUJFWSA-N 0 1 399.539 3.454 50 0 GGAAMN O=C(Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1)c1cccc(F)c1 ZINC000015069743 1399135919 /nfs/dbraw/zinc/13/59/19/1399135919.db2.gz FLYBUOZSHWTSDF-UHFFFAOYSA-N 0 1 398.438 3.197 50 0 GGAAMN O=C(NCCc1ccccc1)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000015074182 1399136642 /nfs/dbraw/zinc/13/66/42/1399136642.db2.gz XDGGBJNLIDCYNI-QHCPKHFHSA-N 0 1 392.547 3.225 50 0 GGAAMN COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3ccncc3)CC2)cc1 ZINC000015074581 1399136898 /nfs/dbraw/zinc/13/68/98/1399136898.db2.gz SIJBSHKXXHCGSF-UHFFFAOYSA-N 0 1 391.475 3.376 50 0 GGAAMN CN(C(=O)C(=O)CCc1ccccc1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000019112718 1399325839 /nfs/dbraw/zinc/32/58/39/1399325839.db2.gz ZYFJLXQHMKQUNS-QFIPXVFZSA-N 0 1 378.516 3.354 50 0 GGAAMN Cc1cc(CN2CCC[C@@H]2c2ccc(C(=O)NCCc3ccccn3)s2)n[nH]1 ZINC000019144679 1399325878 /nfs/dbraw/zinc/32/58/78/1399325878.db2.gz BVXDBEGJADCUAR-GOSISDBHSA-N 0 1 395.532 3.484 50 0 GGAAMN COc1ccc(-n2cccn2)c(CN2CCC[C@@H]2c2ccc(C(N)=O)s2)c1 ZINC000019770203 1399338135 /nfs/dbraw/zinc/33/81/35/1399338135.db2.gz ZUWFYCXBORDXQB-QGZVFWFLSA-N 0 1 382.489 3.378 50 0 GGAAMN COc1cc([C@@H]2c3c(C)nn(C(C)C)c3N=C3COC(=O)C32)cc(OC)c1OC ZINC000020086610 1399342136 /nfs/dbraw/zinc/34/21/36/1399342136.db2.gz HESMQMNIKPUXCQ-QGZVFWFLSA-N 0 1 399.447 3.167 50 0 GGAAMN CSc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000020271750 1399344233 /nfs/dbraw/zinc/34/42/33/1399344233.db2.gz WDERRRPXGCFCFJ-QGZVFWFLSA-N 0 1 385.537 3.073 50 0 GGAAMN NC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2nc3ccc(Cl)cc3[nH]2)s1 ZINC000020472779 1399347100 /nfs/dbraw/zinc/34/71/00/1399347100.db2.gz UYHQGKCNZRATMW-CYBMUJFWSA-N 0 1 388.880 3.283 50 0 GGAAMN OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CCN1Cc1cccs1 ZINC000020598589 1399349108 /nfs/dbraw/zinc/34/91/08/1399349108.db2.gz LNZYVFMWJKFEQT-LJQANCHMSA-N 0 1 382.533 3.003 50 0 GGAAMN Cc1oc2cc(OCCN3CCN(C)CC3)ccc2c(=O)c1-c1ccccc1 ZINC000020591215 1399349401 /nfs/dbraw/zinc/34/94/01/1399349401.db2.gz KQXHMDQEGSINRG-UHFFFAOYSA-N 0 1 378.472 3.395 50 0 biogenic GGAAMN c1ccc(Cc2noc(CN3CCN([C@H]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000020781838 1399352739 /nfs/dbraw/zinc/35/27/39/1399352739.db2.gz NPRLULMTXBRZOX-QFIPXVFZSA-N 0 1 388.515 3.336 50 0 GGAAMN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3o1)CC2 ZINC000020784364 1399352993 /nfs/dbraw/zinc/35/29/93/1399352993.db2.gz BVKVWGBPPNKGMS-LJQANCHMSA-N 0 1 395.507 3.306 50 0 GGAAMN Cc1cccc(N2CCN(C(=O)C3CCN(Cc4ccccn4)CC3)CC2)c1C ZINC000022241841 1399446454 /nfs/dbraw/zinc/44/64/54/1399446454.db2.gz AGOMNPSKZHBOAW-UHFFFAOYSA-N 0 1 392.547 3.259 50 0 GGAAMN COc1ccc([C@H](c2sc3ncnn3c2[O-])[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000022609333 1399482294 /nfs/dbraw/zinc/48/22/94/1399482294.db2.gz NNLLDEPNPZGMDL-MLGOLLRUSA-N 0 1 388.493 3.335 50 0 GGAAMN Cc1c(CN2CCN(c3ccc(Cl)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023281962 1399547153 /nfs/dbraw/zinc/54/71/53/1399547153.db2.gz QUHLKCQKHPIBQA-UHFFFAOYSA-N 0 1 396.922 3.460 50 0 GGAAMN CNC(=O)[C@@H]1C[C@@H](NC/C(Cl)=C/c2ccccc2)CN1Cc1ccccc1 ZINC000023361535 1399552897 /nfs/dbraw/zinc/55/28/97/1399552897.db2.gz MHNVRHKHYRUKBD-JLJDZFQCSA-N 0 1 383.923 3.245 50 0 GGAAMN O=C([C@H]1CCCN(c2ccccn2)C1)N1CCCN(Cc2cccs2)CC1 ZINC000047832710 1404967578 /nfs/dbraw/zinc/96/75/78/1404967578.db2.gz QVFSFTSFNWBAHW-SFHVURJKSA-N 0 1 384.549 3.094 50 0 GGAAMN O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCC(F)(F)CC3)cc2)[nH]1 ZINC000048353752 1405158694 /nfs/dbraw/zinc/15/86/94/1405158694.db2.gz UYZIMXOBNSIBPX-UHFFFAOYSA-N 0 1 399.445 3.107 50 0 GGAAMN Cc1cc(Cl)ccc1-n1nc(CC(C)C)nc1C[C@H]1CN(C)CCN1C ZINC000065376482 1408664298 /nfs/dbraw/zinc/66/42/98/1408664298.db2.gz QMGRSUJYOXRFTF-KRWDZBQOSA-N 0 1 375.948 3.216 50 0 GGAAMN CN(CCC(=O)N1CCc2ccccc2C1)Cc1cc(-c2ccncc2)no1 ZINC000065461568 1408672892 /nfs/dbraw/zinc/67/28/92/1408672892.db2.gz GHTZWMVKMDJCEG-UHFFFAOYSA-N 0 1 376.460 3.143 50 0 GGAAMN Cc1ccn2c(=O)cc(C[N@H+]3CCC[C@@H](c4ccc(C(=O)[O-])cc4)C3)nc2c1 ZINC000095354368 1410310183 /nfs/dbraw/zinc/31/01/83/1410310183.db2.gz FPMDCOXCOAKYHG-GOSISDBHSA-N 0 1 377.444 3.081 50 0 GGAAMN COc1ccc(CCc2nc(NC(=O)c3ccc4c(c3)OCCCO4)n[nH]2)cc1 ZINC000095475394 1410313941 /nfs/dbraw/zinc/31/39/41/1410313941.db2.gz YNDQCUDVJFDQSJ-UHFFFAOYSA-N 0 1 394.431 3.012 50 0 GGAAMN COc1ccc(CCc2n[nH]c(NC(=O)c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000095475394 1410313947 /nfs/dbraw/zinc/31/39/47/1410313947.db2.gz YNDQCUDVJFDQSJ-UHFFFAOYSA-N 0 1 394.431 3.012 50 0 GGAAMN CC(C)Cc1nc2ccc(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)cc2[nH]1 ZINC000095474760 1410314140 /nfs/dbraw/zinc/31/41/40/1410314140.db2.gz GXJYACDPMWVKST-CYBMUJFWSA-N 0 1 390.447 3.066 50 0 GGAAMN CC(C)c1n[nH]c(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)n1 ZINC000095478020 1410314533 /nfs/dbraw/zinc/31/45/33/1410314533.db2.gz NKVIHDLDOOVLIW-UHFFFAOYSA-N 0 1 394.479 3.083 50 0 GGAAMN CC(C)c1nc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)n[nH]1 ZINC000095478020 1410314540 /nfs/dbraw/zinc/31/45/40/1410314540.db2.gz NKVIHDLDOOVLIW-UHFFFAOYSA-N 0 1 394.479 3.083 50 0 GGAAMN COc1ccc(-c2cnn3c2nccc3-c2c(O)cc(C)oc2=O)cc1OC ZINC000095478694 1410314571 /nfs/dbraw/zinc/31/45/71/1410314571.db2.gz GTIVCWIGVFLRTA-UHFFFAOYSA-N 0 1 379.372 3.048 50 0 GGAAMN O=C(Nc1n[nH]c(CCc2ccccc2)n1)c1cccc(Nc2ncccn2)c1 ZINC000095479586 1410314588 /nfs/dbraw/zinc/31/45/88/1410314588.db2.gz FVVGFUVJHKGHNX-UHFFFAOYSA-N 0 1 385.431 3.376 50 0 GGAAMN O=C(Nc1nc(CCc2ccccc2)n[nH]1)c1cccc(Nc2ncccn2)c1 ZINC000095479586 1410314592 /nfs/dbraw/zinc/31/45/92/1410314592.db2.gz FVVGFUVJHKGHNX-UHFFFAOYSA-N 0 1 385.431 3.376 50 0 GGAAMN Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000096117304 1410324077 /nfs/dbraw/zinc/32/40/77/1410324077.db2.gz SBDFJJYJMPSNMQ-GOSISDBHSA-N 0 1 396.447 3.009 50 0 GGAAMN COC(=O)C[C@@H](c1ccccc1OCc1ccccn1)c1c(O)cc(C)oc1=O ZINC000218038681 1433364699 /nfs/dbraw/zinc/36/46/99/1433364699.db2.gz VNNYUCTVRYWZJI-KRWDZBQOSA-N 0 1 395.411 3.323 50 0 biogenic GGAAMN C[C@H]1CN(CCC(=O)N(C)C[C@H]2CCCCO2)Cc2cc(Cl)ccc2O1 ZINC000248070921 1433767707 /nfs/dbraw/zinc/76/77/07/1433767707.db2.gz AWOKLVSTISWTQT-MAUKXSAKSA-N 0 1 380.916 3.341 50 0 GGAAMN Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253408466 1433867242 /nfs/dbraw/zinc/86/72/42/1433867242.db2.gz KTLRVTCUNAPFBT-OXJNMPFZSA-N 0 1 398.503 3.072 50 0 biogenic GGAAMN Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253408466 1433867244 /nfs/dbraw/zinc/86/72/44/1433867244.db2.gz KTLRVTCUNAPFBT-OXJNMPFZSA-N 0 1 398.503 3.072 50 0 biogenic GGAAMN O=c1[nH]c2c(n1-c1ccc(Cl)cc1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000253471062 1433867701 /nfs/dbraw/zinc/86/77/01/1433867701.db2.gz LEJNNAHBUPUGTH-SUMWQHHRSA-N 0 1 383.791 3.080 50 0 GGAAMN CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1F ZINC000253472365 1433867723 /nfs/dbraw/zinc/86/77/23/1433867723.db2.gz LXCOEXSXXGWGQI-CQSZACIVSA-N 0 1 399.401 3.001 50 0 GGAAMN O=C(NCc1ccc(F)cc1F)N1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000426398279 231215193 /nfs/dbraw/zinc/21/51/93/231215193.db2.gz ZQJUBUVNRNGURZ-HXUWFJFHSA-N 0 1 385.458 3.350 50 0 GGAAMN O=C(NCCCCCN1CCOCC1)N1CC[C@H](c2ccccc2Cl)C1 ZINC000426429846 231220349 /nfs/dbraw/zinc/22/03/49/231220349.db2.gz RMIOCHRGWRROGG-KRWDZBQOSA-N 0 1 379.932 3.341 50 0 GGAAMN COc1ccc2nc(CCNC(=O)N3CCC[C@@H]3c3c(C)noc3C)[nH]c2c1 ZINC000426383380 231210617 /nfs/dbraw/zinc/21/06/17/231210617.db2.gz UYOKGEHDGFZVJA-QGZVFWFLSA-N 0 1 383.452 3.266 50 0 GGAAMN 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393.871 3.149 50 0 GGAAMN CC(C)c1cc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCCN24)n[nH]1 ZINC000012304866 570638015 /nfs/dbraw/zinc/63/80/15/570638015.db2.gz WVLRYGKKDVBADU-OEOAZWSVSA-N 0 1 390.531 3.438 50 0 GGAAMN CCn1ccnc1CN1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012304283 570638193 /nfs/dbraw/zinc/63/81/93/570638193.db2.gz UMFWJDHHQFDNFW-OAQYLSRUSA-N 0 1 388.462 3.196 50 0 GGAAMN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000012307185 570639204 /nfs/dbraw/zinc/63/92/04/570639204.db2.gz DXOCSGFLBJDFDB-HXUWFJFHSA-N 0 1 389.883 3.400 50 0 GGAAMN COc1cccc(CN2CCC[C@@H](NC(=O)c3ccc(-n4ccnc4)cc3)C2)c1 ZINC000012306301 570639393 /nfs/dbraw/zinc/63/93/93/570639393.db2.gz HMMYUHJLYSVZCD-HXUWFJFHSA-N 0 1 390.487 3.275 50 0 GGAAMN Cc1cccc(-n2ccnc2CN2CCC(CCC(=O)N3CCOCC3)CC2)c1 ZINC000012317415 570641782 /nfs/dbraw/zinc/64/17/82/570641782.db2.gz ZMQSEOVXGDPGOV-UHFFFAOYSA-N 0 1 396.535 3.032 50 0 GGAAMN CC(C)Cc1cc(-c2nn3c(nnc3[C@@H]3COc4ccccc4O3)s2)[nH]n1 ZINC000012321834 570642841 /nfs/dbraw/zinc/64/28/41/570642841.db2.gz UGCXRZLAHFMMIX-HNNXBMFYSA-N 0 1 382.449 3.287 50 0 GGAAMN COc1ccc(-n2cc(-c3ccnc(N(C)Cc4cc(C)[nH]n4)n3)cn2)cc1 ZINC000048087858 570655147 /nfs/dbraw/zinc/65/51/47/570655147.db2.gz NLXGEFLDPRXAPR-UHFFFAOYSA-N 0 1 375.436 3.006 50 0 GGAAMN COc1ccc(F)cc1S(=O)(=O)Nc1cc(-c2ccc(F)cc2)nn1C ZINC000012427790 570657785 /nfs/dbraw/zinc/65/77/85/570657785.db2.gz JKRPKOXTONOMSF-UHFFFAOYSA-N 0 1 379.388 3.175 50 0 GGAAMN OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cccc3nonc32)CC1 ZINC000012439831 570664074 /nfs/dbraw/zinc/66/40/74/570664074.db2.gz YRCOREKTBQWWKY-UHFFFAOYSA-N 0 1 390.443 3.447 50 0 GGAAMN COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012469617 570672356 /nfs/dbraw/zinc/67/23/56/570672356.db2.gz SLSHPUCYZYCOPK-QGZVFWFLSA-N 0 1 386.467 3.242 50 0 GGAAMN CCOC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(=O)[nH]c2ccccc2c1O ZINC000072325103 570673401 /nfs/dbraw/zinc/67/34/01/570673401.db2.gz UMPGTJNBGUPLKC-OAHLLOKOSA-N 0 1 395.411 3.090 50 0 biogenic GGAAMN CCOC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)c2ccccc2[nH]c1=O ZINC000072325379 570673634 /nfs/dbraw/zinc/67/36/34/570673634.db2.gz YQNRDIRGQNFUNM-AWEZNQCLSA-N 0 1 383.400 3.033 50 0 biogenic GGAAMN CCOC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(O)c2ccccc2[nH]c1=O ZINC000072326110 570674002 /nfs/dbraw/zinc/67/40/02/570674002.db2.gz GCXMHRGTRIZFOX-HNNXBMFYSA-N 0 1 397.427 3.336 50 0 biogenic GGAAMN COc1ccc(OCc2cc(C(=O)N(C)[C@H]3CCN(C)C3)no2)c2ccccc12 ZINC000012480488 570674294 /nfs/dbraw/zinc/67/42/94/570674294.db2.gz AGEQUMIEORRRFU-HNNXBMFYSA-N 0 1 395.459 3.192 50 0 GGAAMN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000004337823 570674695 /nfs/dbraw/zinc/67/46/95/570674695.db2.gz MRBRATPGAHVIBM-HXUWFJFHSA-N 0 1 392.455 3.217 50 0 GGAAMN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000004337828 570674944 /nfs/dbraw/zinc/67/49/44/570674944.db2.gz OGNNVWOMYLOWRO-FQEVSTJZSA-N 0 1 392.455 3.217 50 0 GGAAMN COc1ccc(CC[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)ccc2OC)cc1OC ZINC000055088325 570681873 /nfs/dbraw/zinc/68/18/73/570681873.db2.gz GMSQBUNSSJGLSK-LJQANCHMSA-N 0 1 377.412 3.152 50 0 GGAAMN COc1ccc(CC[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)ccc2OC)cc1OC ZINC000055088321 570681919 /nfs/dbraw/zinc/68/19/19/570681919.db2.gz GMSQBUNSSJGLSK-IBGZPJMESA-N 0 1 377.412 3.152 50 0 GGAAMN Cc1n[nH]c(CCNC(=O)c2ccc3oc(CCc4ccccc4)nc3c2)n1 ZINC000012584878 570685031 /nfs/dbraw/zinc/68/50/31/570685031.db2.gz CORCQISGUHRAPJ-UHFFFAOYSA-N 0 1 375.432 3.012 50 0 GGAAMN CCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1 ZINC000012589550 570686565 /nfs/dbraw/zinc/68/65/65/570686565.db2.gz XNIREGFNPIIARI-UHFFFAOYSA-N 0 1 382.508 3.182 50 0 GGAAMN Cc1cccc2nc(CCNC(=O)CCCc3nc(-c4ccco4)no3)[nH]c21 ZINC000055211392 570687323 /nfs/dbraw/zinc/68/73/23/570687323.db2.gz FINSWCDJXZWTAB-UHFFFAOYSA-N 0 1 379.420 3.196 50 0 GGAAMN COc1cc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)cc(OC)c1 ZINC000012594535 570688528 /nfs/dbraw/zinc/68/85/28/570688528.db2.gz VDLGXJKWGLLRGQ-UHFFFAOYSA-N 0 1 384.480 3.086 50 0 GGAAMN CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)Cc1cnc2c(C)cccn12 ZINC000055309047 570690795 /nfs/dbraw/zinc/69/07/95/570690795.db2.gz DMZDCWJRLZOTMP-UHFFFAOYSA-N 0 1 375.476 3.461 50 0 GGAAMN Cc1n[nH]c(CCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)n1 ZINC000055309916 570691397 /nfs/dbraw/zinc/69/13/97/570691397.db2.gz OLYNDHRLYSAMLQ-UHFFFAOYSA-N 0 1 377.448 3.256 50 0 GGAAMN COc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H](N)Cc2cscn2)cc1 ZINC000055392860 570693721 /nfs/dbraw/zinc/69/37/21/570693721.db2.gz OUVRIUOILJVMCW-FQEVSTJZSA-N 0 1 399.491 3.390 50 0 GGAAMN Cc1nnc(SCC(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)c2)[nH]1 ZINC000055392965 570693980 /nfs/dbraw/zinc/69/39/80/570693980.db2.gz IFPSJPAPQPNDTK-UHFFFAOYSA-N 0 1 381.461 3.405 50 0 GGAAMN Cc1n[nH]c(SCC(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000055392965 570693981 /nfs/dbraw/zinc/69/39/81/570693981.db2.gz IFPSJPAPQPNDTK-UHFFFAOYSA-N 0 1 381.461 3.405 50 0 GGAAMN O=C(C1CCN(Cc2ccco2)CC1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055405274 570694907 /nfs/dbraw/zinc/69/49/07/570694907.db2.gz VLTPBIMVLQOLGY-NRFANRHFSA-N 0 1 383.492 3.094 50 0 GGAAMN COC(=O)[C@@H](NC(=O)CSc1nc(CC(C)C)c(C)[nH]1)c1ccccc1 ZINC000004625846 570703176 /nfs/dbraw/zinc/70/31/76/570703176.db2.gz JHVVOJXMJSLNKQ-KRWDZBQOSA-N 0 1 375.494 3.039 50 0 GGAAMN COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(OCCO)cc3)C2)cc1OC ZINC000012745973 570708019 /nfs/dbraw/zinc/70/80/19/570708019.db2.gz RFMXAKKQWOZMLR-IBGZPJMESA-N 0 1 399.487 3.170 50 0 GGAAMN CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000065362259 570759687 /nfs/dbraw/zinc/75/96/87/570759687.db2.gz QHVYSQRADWSWQI-UHFFFAOYSA-N 0 1 393.413 3.198 50 0 GGAAMN CN(Cc1ccc(C(=O)Nc2cnn(C)c2)cc1)Cc1ccc2c(c1)OCO2 ZINC000065369929 570761706 /nfs/dbraw/zinc/76/17/06/570761706.db2.gz CHATXLIOIKZLHI-UHFFFAOYSA-N 0 1 378.432 3.033 50 0 GGAAMN CN(CC(=O)Nc1ccc(Cl)cc1F)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065374310 570762456 /nfs/dbraw/zinc/76/24/56/570762456.db2.gz PSZUVGZRLULQOV-CYBMUJFWSA-N 0 1 381.879 3.141 50 0 GGAAMN CCn1cc(NC(=O)c2ccc(CN3CCC[C@@H]3c3ccccn3)cc2)nn1 ZINC000065375188 570762582 /nfs/dbraw/zinc/76/25/82/570762582.db2.gz KLUPIADIUXRKBE-LJQANCHMSA-N 0 1 376.464 3.282 50 0 GGAAMN COc1ccc(OC)c([C@@H]2CCN(Cc3nnc(-c4ccc(C)n4C)o3)C2)c1 ZINC000065381257 570763097 /nfs/dbraw/zinc/76/30/97/570763097.db2.gz XCLFMRSTUBWOKQ-OAHLLOKOSA-N 0 1 382.464 3.390 50 0 GGAAMN CCc1ccc2oc(=O)cc(CN3CCC([C@H](O)c4nccn4C)CC3)c2c1 ZINC000065507394 570771336 /nfs/dbraw/zinc/77/13/36/570771336.db2.gz CQEGFZKNONUHKN-NRFANRHFSA-N 0 1 381.476 3.035 50 0 GGAAMN COc1ccc(NC(=S)N[C@@H](C)[C@@H](c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022031421 570778206 /nfs/dbraw/zinc/77/82/06/570778206.db2.gz VWIWSZAQESTXKI-UWJYYQICSA-N 0 1 398.576 3.359 50 0 GGAAMN COc1cccc(-c2c[nH]nc2C2CCN(c3ncnc4[nH]cnc43)CC2)c1 ZINC000067446827 570779876 /nfs/dbraw/zinc/77/98/76/570779876.db2.gz NMOPHKTUQPEPBW-UHFFFAOYSA-N 0 1 375.436 3.136 50 0 GGAAMN NC(=O)C1CCN(Cc2cccc(C(=O)Nc3ccc4cccnc4c3)c2)CC1 ZINC000067514774 570781025 /nfs/dbraw/zinc/78/10/25/570781025.db2.gz HKXAMNAWWIQULV-UHFFFAOYSA-N 0 1 388.471 3.184 50 0 GGAAMN Cc1cc(=O)c(C(=O)N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)c(C)[nH]1 ZINC000067542233 570781455 /nfs/dbraw/zinc/78/14/55/570781455.db2.gz JXBULEIWSUVMNR-UHFFFAOYSA-N 0 1 390.487 3.325 50 0 GGAAMN Fc1cccc(N[C@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c1 ZINC000067563314 570782227 /nfs/dbraw/zinc/78/22/27/570782227.db2.gz DWWANSFDDZROIO-KRWDZBQOSA-N 0 1 376.501 3.195 50 0 GGAAMN Cc1c(C(=O)[O-])sc2ncnc(N[C@H]3CCC[N@@H+](Cc4cccnc4)C3)c12 ZINC000067604489 570783392 /nfs/dbraw/zinc/78/33/92/570783392.db2.gz GHABNCVUYOZIKG-AWEZNQCLSA-N 0 1 383.477 3.169 50 0 GGAAMN Cc1c(C(=O)[O-])sc2ncnc(N[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)c12 ZINC000067604488 570783409 /nfs/dbraw/zinc/78/34/09/570783409.db2.gz GHABNCVUYOZIKG-CQSZACIVSA-N 0 1 383.477 3.169 50 0 GGAAMN Cc1nc(N)nc(C)c1CC(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067604556 570783463 /nfs/dbraw/zinc/78/34/63/570783463.db2.gz SMQLORWPDOXVFP-UHFFFAOYSA-N 0 1 390.491 3.014 50 0 GGAAMN CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3OC)n[nH]2)C1 ZINC000067673836 570785173 /nfs/dbraw/zinc/78/51/73/570785173.db2.gz CWTFPJCMHATTMA-OAHLLOKOSA-N 0 1 379.464 3.391 50 0 GGAAMN CNC(=O)c1ccc([C@@H]2CCCN2Cc2cc3cc(OC)ccc3[nH]c2=O)s1 ZINC000067676854 570785679 /nfs/dbraw/zinc/78/56/79/570785679.db2.gz WMFXOQQADVYUKV-KRWDZBQOSA-N 0 1 397.500 3.295 50 0 GGAAMN O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)C(=O)c1ccco1 ZINC000067678433 570785754 /nfs/dbraw/zinc/78/57/54/570785754.db2.gz IURIUBHKYCNMBD-UHFFFAOYSA-N 0 1 390.374 3.370 50 0 GGAAMN O=C(c1ccc(NC2CCCCCC2)nc1)N1CCC(N2CCOCC2)CC1 ZINC000067675451 570785884 /nfs/dbraw/zinc/78/58/84/570785884.db2.gz CVLSJOAKHMNYKA-UHFFFAOYSA-N 0 1 386.540 3.153 50 0 GGAAMN Cc1ccc2c(c1)c(=O)c(C(=O)N(C)Cc1nc3ccc(F)cc3[nH]1)cn2C ZINC000067689260 570786383 /nfs/dbraw/zinc/78/63/83/570786383.db2.gz JQFAIIFUVATPHC-UHFFFAOYSA-N 0 1 378.407 3.135 50 0 GGAAMN Cc1noc(C)c1[C@@H]1CCCN1Cc1cccc(C(=O)Nc2cn(C)nn2)c1 ZINC000067691929 570786708 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Cc1cccnc1-c1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000426444387 231223146 /nfs/dbraw/zinc/22/31/46/231223146.db2.gz CKLALAQBWFHFFE-LJQANCHMSA-N 0 1 379.504 3.241 50 0 GGAAMN CSc1nc(-c2cccc(C(=O)N[C@H](CCO)c3ccc(C)cc3)c2)n[nH]1 ZINC000426445664 231223184 /nfs/dbraw/zinc/22/31/84/231223184.db2.gz RSYXEHDVSKUAJY-QGZVFWFLSA-N 0 1 382.489 3.356 50 0 GGAAMN Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4nnc[nH]4)CC3)cc2)c(C)c1 ZINC000426677342 231252389 /nfs/dbraw/zinc/25/23/89/231252389.db2.gz BUZZEVHGPGXQPX-UHFFFAOYSA-N 0 1 375.476 3.047 50 0 GGAAMN O=C(NCc1ccc(C(F)(F)F)cc1)N1CCN(C2CCSCC2)CC1 ZINC000426691190 231252548 /nfs/dbraw/zinc/25/25/48/231252548.db2.gz MRTFOGHQLICWFJ-UHFFFAOYSA-N 0 1 387.471 3.428 50 0 GGAAMN CC[C@H](NC(=O)N1CCC2(CCC(=O)N2C)CC1)c1nc2ccc(C)cc2[nH]1 ZINC000426677817 529488331 /nfs/dbraw/zinc/48/83/31/529488331.db2.gz UOBLQSJXNZQUBW-HNNXBMFYSA-N 0 1 383.496 3.119 50 0 GGAAMN CN(C[C@H]1COCCO1)C(=O)c1ccc(-c2nc[nH]c2-c2ccccc2)cc1 ZINC000426399341 529972628 /nfs/dbraw/zinc/97/26/28/529972628.db2.gz DIOLYFVIDJIOKV-IBGZPJMESA-N 0 1 377.444 3.231 50 0 GGAAMN COc1nccnc1-c1cccc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000299762861 222785377 /nfs/dbraw/zinc/78/53/77/222785377.db2.gz CJWXDRSETHKSQN-UHFFFAOYSA-N 0 1 379.464 3.445 50 0 GGAAMN CCc1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc3c(c2)OCO3)cc1 ZINC000001453837 212245814 /nfs/dbraw/zinc/24/58/14/212245814.db2.gz GILXKGFPSUZEON-FQEVSTJZSA-N 0 1 394.427 3.349 50 0 GGAAMN COc1ccc(OC)c([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3ncnn32)c1 ZINC000001291645 212233456 /nfs/dbraw/zinc/23/34/56/212233456.db2.gz IVIOIJCPIHDTCK-IBGZPJMESA-N 0 1 398.463 3.460 50 0 GGAAMN CC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C(F)(F)F)N1Cc1ccccc1 ZINC000001147244 212222905 /nfs/dbraw/zinc/22/29/05/212222905.db2.gz SPYNGOGANWGWIE-UHFFFAOYSA-N 0 1 377.322 3.355 50 0 GGAAMN O=C1C[C@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1Cc1ccccc1 ZINC000001125717 212220336 /nfs/dbraw/zinc/22/03/36/212220336.db2.gz LEQDQZLWZKNJSE-FQEVSTJZSA-N 0 1 388.471 3.070 50 0 GGAAMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1O[C@H](C)CC ZINC000001093474 212216863 /nfs/dbraw/zinc/21/68/63/212216863.db2.gz NLPPXAWAXMCPPW-SZJBZFAYSA-N 0 1 383.242 3.205 50 0 GGAAMN CCOC(=O)c1ccc(NC(=S)NCCN2CCc3ccccc3C2)cc1 ZINC000001119604 212218914 /nfs/dbraw/zinc/21/89/14/212218914.db2.gz GLLSSHOXFBJEBA-UHFFFAOYSA-N 0 1 383.517 3.208 50 0 GGAAMN CC1=NC(=O)N[C@H](c2ccc(Br)cc2)C1C(=O)OCC(F)(F)F ZINC000001082098 212214940 /nfs/dbraw/zinc/21/49/40/212214940.db2.gz AADYWSDVQPGWFA-LLVKDONJSA-N 0 1 393.159 3.183 50 0 GGAAMN O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000917572 212195491 /nfs/dbraw/zinc/19/54/91/212195491.db2.gz ZQSAXJFAPXRMTE-UHFFFAOYSA-N 0 1 396.472 3.239 50 0 GGAAMN Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCCCC2)c2ccccc2)cc1 ZINC000000864208 212192052 /nfs/dbraw/zinc/19/20/52/212192052.db2.gz OEMLVUDTSTVKTP-HXUWFJFHSA-N 0 1 388.533 3.037 50 0 aggregator GGAAMN Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCCCC2)c2ccccc2)cc1 ZINC000000864210 212191181 /nfs/dbraw/zinc/19/11/81/212191181.db2.gz OEMLVUDTSTVKTP-FQEVSTJZSA-N 0 1 388.533 3.037 50 0 aggregator GGAAMN COc1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCC(F)(F)C(F)(F)F)cc1 ZINC000000863161 212190555 /nfs/dbraw/zinc/19/05/55/212190555.db2.gz FCUWHKPMDADJKX-LBPRGKRZSA-N 0 1 394.296 3.064 50 0 GGAAMN COc1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCC(F)(F)C(F)(F)F)cc1 ZINC000000863160 212190611 /nfs/dbraw/zinc/19/06/11/212190611.db2.gz FCUWHKPMDADJKX-GFCCVEGCSA-N 0 1 394.296 3.064 50 0 GGAAMN COc1cccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCC(Cl)(Cl)Cl)c1 ZINC000000861050 212189712 /nfs/dbraw/zinc/18/97/12/212189712.db2.gz BWPHIEGXIPPUFX-LBPRGKRZSA-N 0 1 393.654 3.237 50 0 GGAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)cc1 ZINC000000851999 212189811 /nfs/dbraw/zinc/18/98/11/212189811.db2.gz KBRNRODMIUBDFT-UHFFFAOYSA-N 0 1 388.836 3.183 50 0 GGAAMN CCOc1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCCc2ccccc2)cc1 ZINC000000725568 212177791 /nfs/dbraw/zinc/17/77/91/212177791.db2.gz CXWNUFYHIVYDRC-HXUWFJFHSA-N 0 1 380.444 3.499 50 0 GGAAMN COc1ccc(-c2coc3cc(OCCN4CCN(C)CC4)ccc3c2=O)cc1 ZINC000020589423 212150679 /nfs/dbraw/zinc/15/06/79/212150679.db2.gz YOINDACSCHYKEX-UHFFFAOYSA-N 0 1 394.471 3.095 50 0 biogenic GGAAMN NC(=O)C1CCN(CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC1 ZINC000006764250 212148170 /nfs/dbraw/zinc/14/81/70/212148170.db2.gz AWZPLBKHQZRWSL-UHFFFAOYSA-N 0 1 392.455 3.036 50 0 biogenic GGAAMN COc1ccc(-c2cc3n(n2)[C@@H](NCCc2ccc(Cl)cc2)CNC3=O)cc1 ZINC000263619673 212143361 /nfs/dbraw/zinc/14/33/61/212143361.db2.gz ZYQPRXCDMYPCRC-HXUWFJFHSA-N 0 1 396.878 3.286 50 0 GGAAMN CCOC(=O)C1C(CN2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245237413 212134471 /nfs/dbraw/zinc/13/44/71/212134471.db2.gz ZGOMKRUTEYVKMA-ACJLOTCBSA-N 0 1 391.899 3.386 50 0 GGAAMN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000217533558 212112274 /nfs/dbraw/zinc/11/22/74/212112274.db2.gz AFLWIOPOPHJGTE-MTJIALIYSA-N 0 1 397.862 3.228 50 0 GGAAMN CC(C)=CCN1CCN(Cc2ccc3c(cccc3NC(C)=O)n2)C[C@@H]1CCO ZINC000023373489 212106917 /nfs/dbraw/zinc/10/69/17/212106917.db2.gz PNARANNZZSVICB-FQEVSTJZSA-N 0 1 396.535 3.028 50 0 GGAAMN C[C@@H](NC(=O)N(C)Cc1n[nH]c2c1CCCC2)c1ccccc1-n1cccn1 ZINC000426701382 533108152 /nfs/dbraw/zinc/10/81/52/533108152.db2.gz HYAUKOZGXQVTSZ-OAHLLOKOSA-N 0 1 378.480 3.377 50 0 GGAAMN O=C1O[C@@H](Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc21 ZINC000002201663 220509169 /nfs/dbraw/zinc/50/91/69/220509169.db2.gz DVVYOICMFQPQIE-OAHLLOKOSA-N 0 1 387.442 3.225 50 0 GGAAMN COc1cc2c(cc1CN1CCN(Cc3cccc(C)c3)CC1)OCCCO2 ZINC000072144978 533155719 /nfs/dbraw/zinc/15/57/19/533155719.db2.gz WVRYFFIEWFUEKU-UHFFFAOYSA-N 0 1 382.504 3.483 50 0 GGAAMN COc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000004337864 220708095 /nfs/dbraw/zinc/70/80/95/220708095.db2.gz IVWFVBZOSOQPFC-LJQANCHMSA-N 0 1 396.418 3.048 50 0 GGAAMN CCOC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815833 221059705 /nfs/dbraw/zinc/05/97/05/221059705.db2.gz UISKASFIXQBFMN-MRUHUIDDSA-N 0 1 399.535 3.452 50 0 GGAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccnc2)N1Cc1cccnc1 ZINC000008845471 221060874 /nfs/dbraw/zinc/06/08/74/221060874.db2.gz DEGKUSGFWUCJNS-NRFANRHFSA-N 0 1 383.411 3.318 50 0 GGAAMN O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008893604 221062415 /nfs/dbraw/zinc/06/24/15/221062415.db2.gz QIQHGLHZKOPEAD-FQEVSTJZSA-N 0 1 399.560 3.140 50 0 GGAAMN Cc1oc2cc3oc(=O)c(CC(=O)NCCc4cnc[nH]4)c(C)c3cc2c1C ZINC000008765513 221056663 /nfs/dbraw/zinc/05/66/63/221056663.db2.gz PNZMDHRPDDZICX-UHFFFAOYSA-N 0 1 379.416 3.089 50 0 biogenic GGAAMN Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)c(C)c1 ZINC000009087567 221069781 /nfs/dbraw/zinc/06/97/81/221069781.db2.gz NFPZUBGRVIOXRH-QFIPXVFZSA-N 0 1 377.444 3.078 50 0 GGAAMN COc1cc2c(cc1NC(=O)C(=O)NCCN1CCCCC1)oc1ccccc12 ZINC000009306701 221076630 /nfs/dbraw/zinc/07/66/30/221076630.db2.gz JHHQOMPLDHVQMW-UHFFFAOYSA-N 0 1 395.459 3.135 50 0 GGAAMN Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@@H]2c1ccccc1 ZINC000009287558 221076933 /nfs/dbraw/zinc/07/69/33/221076933.db2.gz KPVOPUQKLBGKGJ-NRFANRHFSA-N 0 1 398.470 3.194 50 0 GGAAMN Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@H]2c1ccccc1 ZINC000009287560 221077050 /nfs/dbraw/zinc/07/70/50/221077050.db2.gz KPVOPUQKLBGKGJ-OAQYLSRUSA-N 0 1 398.470 3.194 50 0 GGAAMN COc1ccc(-c2nnc3sc(-c4cc(CC(C)C)n[nH]4)nn32)cc1OC ZINC000009421110 221079769 /nfs/dbraw/zinc/07/97/69/221079769.db2.gz VYNZVNGPPYQOOW-UHFFFAOYSA-N 0 1 384.465 3.459 50 0 GGAAMN COc1cc(C[C@@H](C(=O)Nc2cccc3ccccc32)c2nn[nH]n2)ccc1O ZINC000009434383 221081229 /nfs/dbraw/zinc/08/12/29/221081229.db2.gz MGYOOUMHMSZKPF-MRXNPFEDSA-N 0 1 389.415 3.032 50 0 GGAAMN COc1cc(C[C@H](C(=O)Nc2cccc3ccccc32)c2nn[nH]n2)ccc1O ZINC000009434382 221082005 /nfs/dbraw/zinc/08/20/05/221082005.db2.gz MGYOOUMHMSZKPF-INIZCTEOSA-N 0 1 389.415 3.032 50 0 GGAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N1CCSCC1 ZINC000009577582 221086811 /nfs/dbraw/zinc/08/68/11/221086811.db2.gz YPMMYWRZKDOIQU-UHFFFAOYSA-N 0 1 397.452 3.120 50 0 biogenic GGAAMN COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CN2CCCCCC2)cc1=O ZINC000009622036 221087132 /nfs/dbraw/zinc/08/71/32/221087132.db2.gz HIWGFHRPFSZMGE-UHFFFAOYSA-N 0 1 397.519 3.488 50 0 GGAAMN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000009059591 221068866 /nfs/dbraw/zinc/06/88/66/221068866.db2.gz RSRHDIYCQIWTON-UHFFFAOYSA-N 0 1 390.369 3.227 50 0 in-vitro GGAAMN CCNc1cc(C)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000009620283 221088011 /nfs/dbraw/zinc/08/80/11/221088011.db2.gz WYDAZOOGYFOVMH-UHFFFAOYSA-N 0 1 381.524 3.477 50 0 GGAAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3cccc(O)c3)C[C@@H]21 ZINC000010214557 221098112 /nfs/dbraw/zinc/09/81/12/221098112.db2.gz WZOPUOAQPQAWBO-IBGZPJMESA-N 0 1 379.460 3.366 50 0 GGAAMN CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)nn1 ZINC000011788941 221125968 /nfs/dbraw/zinc/12/59/68/221125968.db2.gz XONDRKGMHCLBCI-SFHVURJKSA-N 0 1 380.496 3.079 50 0 GGAAMN CC(=O)N1CCN(c2ncccc2CNCc2ccccc2C(F)(F)F)CC1 ZINC000011815828 221127209 /nfs/dbraw/zinc/12/72/09/221127209.db2.gz GTLOVACNAMFUAB-UHFFFAOYSA-N 0 1 392.425 3.059 50 0 GGAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3ccco3)CC2)c(Cl)c1 ZINC000011818389 221127416 /nfs/dbraw/zinc/12/74/16/221127416.db2.gz YPADRJFSNMCENW-UHFFFAOYSA-N 0 1 392.883 3.353 50 0 GGAAMN CC(C)(C)c1cc(CNC(=O)c2coc(COc3cccc(F)c3F)n2)n[nH]1 ZINC000011818652 221127801 /nfs/dbraw/zinc/12/78/01/221127801.db2.gz IAIBGHRXGVMULI-UHFFFAOYSA-N 0 1 390.390 3.482 50 0 GGAAMN O=C(CC[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1)NCc1ccccc1F ZINC000011819015 221128719 /nfs/dbraw/zinc/12/87/19/221128719.db2.gz OSFJIMYONFKLAV-OAHLLOKOSA-N 0 1 398.482 3.375 50 0 GGAAMN O=C(CCC1CCN(Cc2nc3ccccc3[nH]2)CC1)NCc1cccnc1 ZINC000011819114 221129134 /nfs/dbraw/zinc/12/91/34/221129134.db2.gz XQFLPWMKUNPWAQ-UHFFFAOYSA-N 0 1 377.492 3.267 50 0 GGAAMN O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1)NCc1ccccc1F ZINC000011819014 221129781 /nfs/dbraw/zinc/12/97/81/221129781.db2.gz OSFJIMYONFKLAV-HNNXBMFYSA-N 0 1 398.482 3.375 50 0 GGAAMN O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCN(C2CCCCC2)CC1 ZINC000011819147 221129971 /nfs/dbraw/zinc/12/99/71/221129971.db2.gz BRQPNHWHAQBEOK-UHFFFAOYSA-N 0 1 386.471 3.218 50 0 GGAAMN O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NC(c1ccccc1)c1ccccc1 ZINC000011873886 221133707 /nfs/dbraw/zinc/13/37/07/221133707.db2.gz WOEYXWIFUKFBPH-NRFANRHFSA-N 0 1 391.515 3.025 50 0 GGAAMN CN(CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000011667877 221119876 /nfs/dbraw/zinc/11/98/76/221119876.db2.gz KDDOLAYWUDPEAL-KRWDZBQOSA-N 0 1 393.940 3.063 50 0 GGAAMN CN(CCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000011667876 221119926 /nfs/dbraw/zinc/11/99/26/221119926.db2.gz KDDOLAYWUDPEAL-QGZVFWFLSA-N 0 1 393.940 3.063 50 0 GGAAMN COc1ccc2nc(CNC(=O)[C@@H]3CCC(=O)N(CC4CCCCC4)C3)[nH]c2c1 ZINC000011664552 221120369 /nfs/dbraw/zinc/12/03/69/221120369.db2.gz ORIRMRZKYUAWTG-MRXNPFEDSA-N 0 1 398.507 3.007 50 0 GGAAMN CCn1ccnc1CN1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000011663842 221120714 /nfs/dbraw/zinc/12/07/14/221120714.db2.gz 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/nfs/dbraw/zinc/51/60/71/570516071.db2.gz DURKITHKHJTTBZ-UHFFFAOYSA-N 0 1 399.520 3.334 50 0 GGAAMN COC(=O)[C@@H]1N(C(=O)CNCc2ccccc2)[C@H](c2ccccc2)SC1(C)C ZINC000033894842 570529762 /nfs/dbraw/zinc/52/97/62/570529762.db2.gz RONZPIVXPXDNLA-PMACEKPBSA-N 0 1 398.528 3.371 50 0 GGAAMN Cc1cc(O)c([C@@H](c2cccnc2)N2CCCCC2)c(=O)n1Cc1ccco1 ZINC000022698305 570533298 /nfs/dbraw/zinc/53/32/98/570533298.db2.gz DPEHPMRBNMOPPI-OAQYLSRUSA-N 0 1 379.460 3.474 50 0 GGAAMN CN1CCN([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccsc2)CC1 ZINC000022765481 570543214 /nfs/dbraw/zinc/54/32/14/570543214.db2.gz HIXDXDJFXNVKGC-KRWDZBQOSA-N 0 1 397.466 3.485 50 0 GGAAMN CN1CCN([C@H](CNC(=O)NCc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022766983 570544084 /nfs/dbraw/zinc/54/40/84/570544084.db2.gz VUJFXZOMRDNXNO-GOSISDBHSA-N 0 1 392.956 3.189 50 0 GGAAMN COc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCN(C)CC2)cc1 ZINC000022794263 570547798 /nfs/dbraw/zinc/54/77/98/570547798.db2.gz UGATZXNOUPRSME-HXUWFJFHSA-N 0 1 387.911 3.067 50 0 GGAAMN COc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2)N2CCN(C)CC2)cc1 ZINC000022794061 570548143 /nfs/dbraw/zinc/54/81/43/570548143.db2.gz AWLHHAIYYATXRN-OAQYLSRUSA-N 0 1 382.508 3.114 50 0 GGAAMN CN1CCN([C@@H](CNC(=O)c2c(F)cccc2Cl)c2ccc(F)cc2)CC1 ZINC000022794773 570548319 /nfs/dbraw/zinc/54/83/19/570548319.db2.gz WSFZBWQYBKCZKG-SFHVURJKSA-N 0 1 393.865 3.337 50 0 GGAAMN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccc(OC)cc3[nH]2)cc1 ZINC000009187528 570550778 /nfs/dbraw/zinc/55/07/78/570550778.db2.gz SYHDQOUWCSNBDO-UHFFFAOYSA-N 0 1 385.445 3.479 50 0 GGAAMN CCOC(=O)C1=C(c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000000842271 570636322 /nfs/dbraw/zinc/63/63/22/570636322.db2.gz CIGHPQNKCDYTHX-LJQANCHMSA-N 0 1 382.416 3.032 50 0 GGAAMN COC(=O)c1ccc(-c2noc(CN3CCCC[C@H]3CCn3cccn3)n2)cc1 ZINC000012385849 570650786 /nfs/dbraw/zinc/65/07/86/570650786.db2.gz UUOXBXBCNQFVLT-SFHVURJKSA-N 0 1 395.463 3.165 50 0 GGAAMN COc1cccc(CN2CCC[C@@H](NC(=O)COc3ccc(C(C)=O)cc3)C2)c1 ZINC000012386843 570651358 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3.364 50 0 GGAAMN O=C(N[C@@H]1CCCN(CCc2ccccc2)C1)c1cnc(CN2CCCC2)s1 ZINC000012570612 570681096 /nfs/dbraw/zinc/68/10/96/570681096.db2.gz LLQARNXIKDNWRV-LJQANCHMSA-N 0 1 398.576 3.176 50 0 GGAAMN CCCn1c(C)c(CC(=O)N[C@@H](C)c2n[nH]c(C)n2)c2c1CC(C)(C)CC2=O ZINC000012578529 570683336 /nfs/dbraw/zinc/68/33/36/570683336.db2.gz KGFYGSUHZYFNDM-LBPRGKRZSA-N 0 1 385.512 3.208 50 0 GGAAMN CCn1cc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c(C)n1 ZINC000012588547 570686127 /nfs/dbraw/zinc/68/61/27/570686127.db2.gz VPBQTYHRMCGGFQ-UHFFFAOYSA-N 0 1 384.528 3.374 50 0 GGAAMN CC(C)C(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055228391 570688361 /nfs/dbraw/zinc/68/83/61/570688361.db2.gz WZHYUNOZEVULAD-GOSISDBHSA-N 0 1 383.458 3.474 50 0 GGAAMN O=C(NCc1ccccc1)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000055254137 570689376 /nfs/dbraw/zinc/68/93/76/570689376.db2.gz PGCVBQZUTZKWQF-JOCHJYFZSA-N 0 1 378.520 3.183 50 0 GGAAMN COc1ccc(F)c(-c2nc(CN(C[C@@H]3CCC(=O)N3)C(C)C)c(C)o2)c1 ZINC000012757002 570710138 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COc1cc(-c2ccc3ncnc(N4CCN(C)CC4)c3c2)cc(OC)c1OC ZINC000065393699 570764730 /nfs/dbraw/zinc/76/47/30/570764730.db2.gz OAURHJCUDWGBRE-UHFFFAOYSA-N 0 1 394.475 3.074 50 0 GGAAMN COc1ccc(Cc2nnc3sc(-c4cc(CC(C)C)n[nH]4)nn23)cc1OC ZINC000013690820 570775567 /nfs/dbraw/zinc/77/55/67/570775567.db2.gz SDLUKHIEMVXMJW-UHFFFAOYSA-N 0 1 398.492 3.382 50 0 GGAAMN Cc1cc(C)c(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c(C)c1 ZINC000023000316 570777908 /nfs/dbraw/zinc/77/79/08/570777908.db2.gz GTVLAKROUXISCO-UHFFFAOYSA-N 0 1 376.522 3.395 50 0 GGAAMN COc1ccc(NC(=S)N[C@H](C)[C@H](c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022031433 570778197 /nfs/dbraw/zinc/77/81/97/570778197.db2.gz VWIWSZAQESTXKI-DYESRHJHSA-N 0 1 398.576 3.359 50 0 GGAAMN COc1ccccc1CNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000013720492 570779843 /nfs/dbraw/zinc/77/98/43/570779843.db2.gz HKKSBKIGLQIYKM-UHFFFAOYSA-N 0 1 386.492 3.287 50 0 GGAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(F)cc1 ZINC000013734278 570783824 /nfs/dbraw/zinc/78/38/24/570783824.db2.gz 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/nfs/dbraw/zinc/90/95/77/570909577.db2.gz JTIHVDLHAUCXCU-QGZVFWFLSA-N 0 1 375.513 3.252 50 0 GGAAMN CCN(Cc1cnn(CC)c1)C(=O)c1cccc(-c2c(C)[nH]nc2COC)c1 ZINC000534637072 570912350 /nfs/dbraw/zinc/91/23/50/570912350.db2.gz YOCZXEAJNQTUGU-UHFFFAOYSA-N 0 1 381.480 3.410 50 0 GGAAMN COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1Cl ZINC000023127693 570913031 /nfs/dbraw/zinc/91/30/31/570913031.db2.gz CELPLWUEWMDQNS-UHFFFAOYSA-N 0 1 398.912 3.132 50 0 GGAAMN Cc1n[nH]c(C2CC2)c1-c1ccc(C(=O)NCC[C@H](C)N2CCOCC2)cc1 ZINC000534671350 570920958 /nfs/dbraw/zinc/92/09/58/570920958.db2.gz GLKQWMUPLLJWQM-HNNXBMFYSA-N 0 1 382.508 3.103 50 0 GGAAMN COCCn1ccc2c1cccc2OCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000263587130 570928994 /nfs/dbraw/zinc/92/89/94/570928994.db2.gz COVLNPAOPHYMPF-UHFFFAOYSA-N 0 1 397.460 3.152 50 0 GGAAMN COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2[nH]c1=S ZINC000001112869 570931188 /nfs/dbraw/zinc/93/11/88/570931188.db2.gz OJSNKTXEIYQEAZ-UHFFFAOYSA-N 0 1 383.473 3.164 50 0 GGAAMN COc1cccc(C(Cc2c(O)cc(C)oc2=O)Cc2c(O)cc(C)oc2=O)c1 ZINC000016756394 570933058 /nfs/dbraw/zinc/93/30/58/570933058.db2.gz BEMIRHHHMXSRHY-UHFFFAOYSA-N 0 1 398.411 3.199 50 0 GGAAMN CC(NNc1cccc2ccccc21)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000016995728 570936667 /nfs/dbraw/zinc/93/66/67/570936667.db2.gz APYKNPPLXCKDAT-RGEXLXHISA-N 0 1 392.459 3.441 50 0 GGAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000017012313 570937011 /nfs/dbraw/zinc/93/70/11/570937011.db2.gz ZQSNCNZMBVTNPH-UHFFFAOYSA-N 0 1 399.926 3.391 50 0 GGAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000017012459 570937041 /nfs/dbraw/zinc/93/70/41/570937041.db2.gz XFGCLVZSVSHEHA-UHFFFAOYSA-N 0 1 399.926 3.391 50 0 GGAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000006697476 570938340 /nfs/dbraw/zinc/93/83/40/570938340.db2.gz MJFKMQFOHCPYDY-UHFFFAOYSA-N 0 1 388.489 3.431 50 0 GGAAMN COc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1C(=O)Nc1ccccc1 ZINC000006707023 570938779 /nfs/dbraw/zinc/93/87/79/570938779.db2.gz 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1399006039 /nfs/dbraw/zinc/00/60/39/1399006039.db2.gz ZEXJIMJMAJRBOD-QFIPXVFZSA-N 0 1 397.563 3.339 50 0 GGAAMN O=C(CC[C@H]1CCCN(C(=O)CN2CCC(c3ccccc3)CC2)C1)NC1CC1 ZINC000011840158 1399015304 /nfs/dbraw/zinc/01/53/04/1399015304.db2.gz CPTNKTPVZVXBNI-LJQANCHMSA-N 0 1 397.563 3.163 50 0 GGAAMN CC(=O)c1cc(CC(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)cs1 ZINC000011934252 1399018401 /nfs/dbraw/zinc/01/84/01/1399018401.db2.gz YHSDSNUCHFAKIR-IBGZPJMESA-N 0 1 385.533 3.054 50 0 GGAAMN Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000011975465 1399021800 /nfs/dbraw/zinc/02/18/00/1399021800.db2.gz ARLKBZJLWBTTDV-LBPRGKRZSA-N 0 1 389.399 3.185 50 0 GGAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cscn1 ZINC000012074470 1399027320 /nfs/dbraw/zinc/02/73/20/1399027320.db2.gz CGORZLARJJSWMR-UHFFFAOYSA-N 0 1 391.512 3.283 50 0 GGAAMN COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)/C=C/c3ccco3)C1)CC2 ZINC000012193210 1399032908 /nfs/dbraw/zinc/03/29/08/1399032908.db2.gz OHEDEUUKZRVNPX-UCFODXPJSA-N 0 1 396.487 3.359 50 0 GGAAMN Fc1ccc2nc([C@@H]3CCCCN3Cc3nc(-c4cnccn4)no3)[nH]c2c1 ZINC000012298734 1399036334 /nfs/dbraw/zinc/03/63/34/1399036334.db2.gz CFZOSKAGLWLEIA-INIZCTEOSA-N 0 1 379.399 3.269 50 0 GGAAMN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3cccnc3)CC2)c1 ZINC000012307741 1399038229 /nfs/dbraw/zinc/03/82/29/1399038229.db2.gz RQCPDNYLKXWFJL-UHFFFAOYSA-N 0 1 381.476 3.026 50 0 GGAAMN O=C(c1cc(COc2ccccc2)n[nH]1)N1CCC(Oc2cccnc2)CC1 ZINC000012434009 1399041989 /nfs/dbraw/zinc/04/19/89/1399041989.db2.gz CSFKPMHIDBIXHI-UHFFFAOYSA-N 0 1 378.432 3.067 50 0 GGAAMN CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc(SC)cc3)C2)nn1 ZINC000012513361 1399046395 /nfs/dbraw/zinc/04/63/95/1399046395.db2.gz MALOGDQHIQLYLA-KRWDZBQOSA-N 0 1 387.553 3.319 50 0 GGAAMN CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(SC)cc3)C2)nn1 ZINC000012513355 1399046564 /nfs/dbraw/zinc/04/65/64/1399046564.db2.gz MALOGDQHIQLYLA-QGZVFWFLSA-N 0 1 387.553 3.319 50 0 GGAAMN O=C(c1ccc(=O)[nH]c1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000012718063 1399055364 /nfs/dbraw/zinc/05/53/64/1399055364.db2.gz SHMDELXUSIQYQJ-NRFANRHFSA-N 0 1 387.430 3.194 50 0 GGAAMN CN1CCN(C(=O)CC[C@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000012717863 1399055499 /nfs/dbraw/zinc/05/54/99/1399055499.db2.gz PMWAESIMQSLPFM-MRXNPFEDSA-N 0 1 381.923 3.245 50 0 GGAAMN COc1cc(C(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc(OC)c1OC ZINC000013011461 1399071603 /nfs/dbraw/zinc/07/16/03/1399071603.db2.gz OVRLRALSGOPTMK-INIZCTEOSA-N 0 1 390.505 3.341 50 0 GGAAMN Cc1cc(CN(C)[C@H]2CCc3c(c(C(=O)N4CCCC4)nn3CC(C)C)C2)on1 ZINC000014747279 1399117843 /nfs/dbraw/zinc/11/78/43/1399117843.db2.gz MJEGRINONSRQOQ-KRWDZBQOSA-N 0 1 399.539 3.061 50 0 GGAAMN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2cnn(C)c2C)C1 ZINC000014973054 1399129511 /nfs/dbraw/zinc/12/95/11/1399129511.db2.gz ZXKVGKDHGPUDQD-NRFANRHFSA-N 0 1 391.462 3.395 50 0 GGAAMN CCn1c2ccccc2nc1CN1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000019830685 1399338747 /nfs/dbraw/zinc/33/87/47/1399338747.db2.gz UBUCKKMNCDENRY-FQEVSTJZSA-N 0 1 378.520 3.125 50 0 GGAAMN CN(CCN1CCc2ccccc2C1)Cc1nc(CCc2ccccc2)no1 ZINC000019842496 1399339616 /nfs/dbraw/zinc/33/96/16/1399339616.db2.gz LNMBDXNCXYBNSD-UHFFFAOYSA-N 0 1 376.504 3.345 50 0 GGAAMN COCCN1CCN(Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)CC1 ZINC000020212240 1399344651 /nfs/dbraw/zinc/34/46/51/1399344651.db2.gz JGKLQAQAGZUTSV-UHFFFAOYSA-N 0 1 398.482 3.344 50 0 GGAAMN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020450663 1399346805 /nfs/dbraw/zinc/34/68/05/1399346805.db2.gz UXKKVIFEJNWJAC-GOSISDBHSA-N 0 1 399.457 3.444 50 0 GGAAMN OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CCN1Cc1cccs1 ZINC000020598590 1399349130 /nfs/dbraw/zinc/34/91/30/1399349130.db2.gz LNZYVFMWJKFEQT-IBGZPJMESA-N 0 1 382.533 3.003 50 0 GGAAMN CN1CCN(c2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cn2)CC1 ZINC000020601024 1399350245 /nfs/dbraw/zinc/35/02/45/1399350245.db2.gz TXDOWPOETAJFCM-UHFFFAOYSA-N 0 1 392.547 3.318 50 0 GGAAMN O=c1cc(CN2CCN(CCc3ccncc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000020718916 1399352003 /nfs/dbraw/zinc/35/20/03/1399352003.db2.gz MZRBVQFHXQJYOA-UHFFFAOYSA-N 0 1 389.499 3.037 50 0 GGAAMN c1ccc(Cc2noc(CN3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000020781835 1399352643 /nfs/dbraw/zinc/35/26/43/1399352643.db2.gz NPRLULMTXBRZOX-JOCHJYFZSA-N 0 1 388.515 3.336 50 0 GGAAMN CCc1nc2sc([C@H](c3ccc(C)cc3)N3CC[NH+](CC)CC3)c([O-])n2n1 ZINC000022578086 1399479358 /nfs/dbraw/zinc/47/93/58/1399479358.db2.gz QXULODGLVHYUCT-KRWDZBQOSA-N 0 1 385.537 3.094 50 0 GGAAMN CN(Cc1nc(-c2cccs2)no1)CC1(N2CCOCC2)CCCCC1 ZINC000022932762 1399518502 /nfs/dbraw/zinc/51/85/02/1399518502.db2.gz WMWFCRJGPUYPQZ-UHFFFAOYSA-N 0 1 376.526 3.265 50 0 GGAAMN Fc1ccc(-n2cc(-c3ccnc(N4CCN5CCCC[C@@H]5C4)n3)cn2)cc1 ZINC000023619726 1399575034 /nfs/dbraw/zinc/57/50/34/1399575034.db2.gz RSSBQKWGAXLCHA-LJQANCHMSA-N 0 1 378.455 3.143 50 0 GGAAMN CCOC(=O)[C@@H]1CCCN(c2cc(C)c3c(cc(OC)c(OC)c3OC)n2)C1 ZINC000023634693 1399576127 /nfs/dbraw/zinc/57/61/27/1399576127.db2.gz IDOPMKRLRUBNMM-CQSZACIVSA-N 0 1 388.464 3.349 50 0 GGAAMN COc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)OC(C)C)cc1OC ZINC000027987452 1400115773 /nfs/dbraw/zinc/11/57/73/1400115773.db2.gz TXTREGCQDJUBCC-HXUWFJFHSA-N 0 1 396.443 3.421 50 0 GGAAMN O=C(Nc1nc(-c2ccccc2)n[nH]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000048441704 1405190731 /nfs/dbraw/zinc/19/07/31/1405190731.db2.gz ZSYFCRRHYHDWNY-UHFFFAOYSA-N 0 1 382.855 3.479 50 0 GGAAMN CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)cc1 ZINC000057413416 1407610992 /nfs/dbraw/zinc/61/09/92/1407610992.db2.gz CFOQTHVNAHEURW-UHFFFAOYSA-N 0 1 380.473 3.303 50 0 GGAAMN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N2CCCCC23CC3)[C@H](c2cccnc2)[N@H+]1C ZINC000067934998 1409260333 /nfs/dbraw/zinc/26/03/33/1409260333.db2.gz BUNVEZVPZSUUGQ-YDHSSHFGSA-N 0 1 399.535 3.489 50 0 GGAAMN CCN1C[C@]2(CCCN(C(=O)CCc3nc4ccc(C)c(C)c4[nH]3)C2)CCC1=O ZINC000072411504 1409849978 /nfs/dbraw/zinc/84/99/78/1409849978.db2.gz BFECYSQFDWHXDU-QHCPKHFHSA-N 0 1 396.535 3.363 50 0 GGAAMN COc1ccc(NC(=O)COc2coc(CN3CCCCCC3)cc2=O)cc1 ZINC000079485842 1409976828 /nfs/dbraw/zinc/97/68/28/1409976828.db2.gz MFFQUMNTPBZEFB-UHFFFAOYSA-N 0 1 386.448 3.042 50 0 GGAAMN COCc1n[nH]c(-c2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2)n1 ZINC000079494640 1409978330 /nfs/dbraw/zinc/97/83/30/1409978330.db2.gz YQYSYZQFXAUGCL-UHFFFAOYSA-N 0 1 375.432 3.291 50 0 GGAAMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(CCc2ccccn2)CC1 ZINC000095476177 1410313705 /nfs/dbraw/zinc/31/37/05/1410313705.db2.gz ZUYZILSHGLTYKK-UHFFFAOYSA-N 0 1 395.894 3.126 50 0 GGAAMN COCCn1ccc2ccc(C(=O)Nc3nc(-c4ccccc4OC)n[nH]3)cc21 ZINC000095473978 1410314126 /nfs/dbraw/zinc/31/41/26/1410314126.db2.gz GJDZMMUDRLNEHL-UHFFFAOYSA-N 0 1 391.431 3.334 50 0 GGAAMN COc1cc2cc(C(=O)Nc3cccc(-c4nnc[nH]4)c3)n(C)c2cc1OC ZINC000096118306 1410323963 /nfs/dbraw/zinc/32/39/63/1410323963.db2.gz QQNNFWLXJOKXFB-UHFFFAOYSA-N 0 1 377.404 3.233 50 0 GGAAMN CC(C)[NH+]1CCC(c2c(-c3ccccc3)ncn2CCCc2nn[n-]n2)CC1 ZINC000065404283 1423541357 /nfs/dbraw/zinc/54/13/57/1423541357.db2.gz ZHVJDPLRLZLRMB-UHFFFAOYSA-N 0 1 379.512 3.284 50 0 GGAAMN Cc1ccc2nc(CNC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)[nH]c2c1 ZINC000174872393 1427420238 /nfs/dbraw/zinc/42/02/38/1427420238.db2.gz NXVKZUMCTZKYJB-UHFFFAOYSA-N 0 1 394.450 3.179 50 0 GGAAMN O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cn[nH]c1-c1cccs1 ZINC000426433696 231220950 /nfs/dbraw/zinc/22/09/50/231220950.db2.gz STYONJXBPVKZLX-MRXNPFEDSA-N 0 1 378.461 3.291 50 0 GGAAMN Nc1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccco4)CC3)cc2)cn1 ZINC000426368380 231208020 /nfs/dbraw/zinc/20/80/20/231208020.db2.gz XKWDSUFCBHEPMD-UHFFFAOYSA-N 0 1 376.460 3.149 50 0 GGAAMN COCc1cc(CNC(=O)Nc2cccc(NC(=O)C3CCCC3)c2C)n[nH]1 ZINC000426531588 231237128 /nfs/dbraw/zinc/23/71/28/231237128.db2.gz LCGDXXNCPBLHCB-UHFFFAOYSA-N 0 1 385.468 3.315 50 0 GGAAMN CO[C@]12CCN(Cc3c(C)nn(C)c3Cl)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426442692 231222560 /nfs/dbraw/zinc/22/25/60/231222560.db2.gz QREWGWQEOIJHAD-RIFZZMRRSA-N 0 1 390.915 3.368 50 0 GGAAMN COc1ccc(C2(C(=O)N3CCC[C@@H]3c3n[nH]c(C)n3)CCCC2)cc1OC ZINC000426674209 231252319 /nfs/dbraw/zinc/25/23/19/231252319.db2.gz LVTVNTSGIAYUCK-MRXNPFEDSA-N 0 1 384.480 3.306 50 0 GGAAMN C[C@H](NC(=O)N(C)Cc1n[nH]c2c1CCCC2)c1ccccc1-n1cccn1 ZINC000426701381 231254018 /nfs/dbraw/zinc/25/40/18/231254018.db2.gz HYAUKOZGXQVTSZ-HNNXBMFYSA-N 0 1 378.480 3.377 50 0 GGAAMN CN(CCSc1ccccc1)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000426535621 529928974 /nfs/dbraw/zinc/92/89/74/529928974.db2.gz FABCGPADHNAEMD-UHFFFAOYSA-N 0 1 384.549 3.480 50 0 GGAAMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000426531545 529976845 /nfs/dbraw/zinc/97/68/45/529976845.db2.gz GQWDGPSZPNIYPL-GOSISDBHSA-N 0 1 380.496 3.487 50 0 GGAAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCc1nncn1C1CCCCC1 ZINC000426523730 530021153 /nfs/dbraw/zinc/02/11/53/530021153.db2.gz VHWWERXRFIHOND-UHFFFAOYSA-N 0 1 385.516 3.117 50 0 GGAAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCc1cc(-c2cccnc2)no1 ZINC000426549923 530021177 /nfs/dbraw/zinc/02/11/77/530021177.db2.gz LAQJNRVQBISSCG-UHFFFAOYSA-N 0 1 380.452 3.070 50 0 GGAAMN CN(Cc1nnc(-c2ccccc2)o1)C(=O)NCc1n[nH]c2c1CCCCC2 ZINC000426589773 530030068 /nfs/dbraw/zinc/03/00/68/530030068.db2.gz MDAULOUBFVLDFU-UHFFFAOYSA-N 0 1 380.452 3.070 50 0 GGAAMN O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)C(F)F ZINC000005242256 209122102 /nfs/dbraw/zinc/12/21/02/209122102.db2.gz YCHBDOCDHQISDQ-LPMFXHHGSA-N 0 1 396.340 3.129 50 0 GGAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NC(C)C)c3=O)c2c1 ZINC000020331435 206252124 /nfs/dbraw/zinc/25/21/24/206252124.db2.gz PLIWQVORYPHGQJ-UHFFFAOYSA-N 0 1 388.493 3.244 50 0 GGAAMN CCOC(=O)C1C(CN2CCCC[C@H]2C)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000245238673 206282089 /nfs/dbraw/zinc/28/20/89/206282089.db2.gz YHOMBZDWEQPAKY-UZLBHIALSA-N 0 1 385.508 3.349 50 0 GGAAMN CCOC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000245238673 206282092 /nfs/dbraw/zinc/28/20/92/206282092.db2.gz YHOMBZDWEQPAKY-UZLBHIALSA-N 0 1 385.508 3.349 50 0 GGAAMN COCCn1ccc2c1cccc2OCC(=O)Nc1nc(C2CCCCC2)n[nH]1 ZINC000263587825 206287902 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CCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1 ZINC000000846818 209271486 /nfs/dbraw/zinc/27/14/86/209271486.db2.gz BHSDFNVOXBDUAC-UHFFFAOYSA-N 0 1 377.462 3.156 50 0 GGAAMN COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)cc1Cl ZINC000000820293 209269542 /nfs/dbraw/zinc/26/95/42/209269542.db2.gz LLBJKSCLZGICBN-UHFFFAOYSA-N 0 1 384.841 3.116 50 0 GGAAMN COc1cc(CN2CCC(C(=O)NCCC(C)C)CC2)cc(OC)c1OC ZINC000000785855 209265205 /nfs/dbraw/zinc/26/52/05/209265205.db2.gz JCSXDJOXADBUEE-UHFFFAOYSA-N 0 1 378.513 3.087 50 0 GGAAMN COc1ccc(OC)c([C@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)c1 ZINC000000754312 209263725 /nfs/dbraw/zinc/26/37/25/209263725.db2.gz ICVAADACQUVRCK-QGZVFWFLSA-N 0 1 375.446 3.338 50 0 GGAAMN COc1cccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)c1OC ZINC000000754311 209263601 /nfs/dbraw/zinc/26/36/01/209263601.db2.gz NKJWVTRBKYQDNZ-INIZCTEOSA-N 0 1 375.446 3.338 50 0 GGAAMN COc1ccc(COC(=O)C2C(C)=NC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000000715173 209262298 /nfs/dbraw/zinc/26/22/98/209262298.db2.gz 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COc1cccc(C(=O)NC[C@H]2CCCN(Cc3cnc(C)s3)C2)c1OC ZINC000012001885 570597666 /nfs/dbraw/zinc/59/76/66/570597666.db2.gz ONKVGONZQODBKY-OAHLLOKOSA-N 0 1 389.521 3.111 50 0 GGAAMN COc1ccc2c(c1)O[C@@H](C)CN(CCC(=O)NCc1cc(F)ccc1C)C2 ZINC000012024852 570598955 /nfs/dbraw/zinc/59/89/55/570598955.db2.gz IJDLGUVRAJBYPY-INIZCTEOSA-N 0 1 386.467 3.432 50 0 GGAAMN O=C(c1ccc(OC2CCN(Cc3ccc(CO)o3)CC2)cc1)N1CCCCC1 ZINC000012051222 570600949 /nfs/dbraw/zinc/60/09/49/570600949.db2.gz RXFCKYNSQXWJDA-UHFFFAOYSA-N 0 1 398.503 3.441 50 0 GGAAMN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3ccccn3)CC2)c1 ZINC000012075437 570605231 /nfs/dbraw/zinc/60/52/31/570605231.db2.gz JKRQXONUGNRMQV-UHFFFAOYSA-N 0 1 381.476 3.026 50 0 GGAAMN Cc1cccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)n1 ZINC000012079610 570605898 /nfs/dbraw/zinc/60/58/98/570605898.db2.gz SCMIZEJTIVCFNJ-SFHVURJKSA-N 0 1 387.553 3.169 50 0 GGAAMN Cc1cc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000012193382 570622371 /nfs/dbraw/zinc/62/23/71/570622371.db2.gz 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570674114 /nfs/dbraw/zinc/67/41/14/570674114.db2.gz KKZLZXYANOYFFQ-OAHLLOKOSA-N 0 1 397.427 3.336 50 0 biogenic GGAAMN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000004337826 570674761 /nfs/dbraw/zinc/67/47/61/570674761.db2.gz OGNNVWOMYLOWRO-HXUWFJFHSA-N 0 1 392.455 3.217 50 0 GGAAMN O=C(c1ccnnc1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000012572200 570681429 /nfs/dbraw/zinc/68/14/29/570681429.db2.gz WTSIBFIKYZFPKD-QGZVFWFLSA-N 0 1 386.446 3.129 50 0 GGAAMN CCCn1c(C)c(CC(=O)N[C@H](C)c2n[nH]c(C)n2)c2c1CC(C)(C)CC2=O ZINC000012578534 570683465 /nfs/dbraw/zinc/68/34/65/570683465.db2.gz KGFYGSUHZYFNDM-GFCCVEGCSA-N 0 1 385.512 3.208 50 0 GGAAMN CCOC(=O)C1C(CN2CCC(C)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055227005 570688348 /nfs/dbraw/zinc/68/83/48/570688348.db2.gz CFGOXUKMFUAYBD-SFHVURJKSA-N 0 1 391.899 3.243 50 0 GGAAMN CC(C)C(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055228387 570688398 /nfs/dbraw/zinc/68/83/98/570688398.db2.gz WZHYUNOZEVULAD-SFHVURJKSA-N 0 1 383.458 3.474 50 0 GGAAMN CCc1oc(C(=O)N[C@H](C)c2cn3ncsc3n2)cc1CN(CC)CC ZINC000055255230 570689186 /nfs/dbraw/zinc/68/91/86/570689186.db2.gz QGTHPOSBFYQSDG-GFCCVEGCSA-N 0 1 375.498 3.279 50 0 GGAAMN CCCCc1nc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)c[nH]1 ZINC000055254361 570689391 /nfs/dbraw/zinc/68/93/91/570689391.db2.gz HHUUGSKPZUWMHX-LJQANCHMSA-N 0 1 376.545 3.040 50 0 GGAAMN Cc1[nH]nc(CCC(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)c1C ZINC000244594144 570693755 /nfs/dbraw/zinc/69/37/55/570693755.db2.gz DHEHTFPGVRCMFE-CECAUBDESA-N 0 1 378.476 3.136 50 0 GGAAMN CCCc1nc2ccccc2n1[C@H](C)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000055402302 570694213 /nfs/dbraw/zinc/69/42/13/570694213.db2.gz VNJHAOIJNORTLX-CQSZACIVSA-N 0 1 389.463 3.046 50 0 GGAAMN COc1ccc(C)cc1[C@H](C(=O)[O-])[N@@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000055404807 570695096 /nfs/dbraw/zinc/69/50/96/570695096.db2.gz QAYBKHOVCGRREA-OAQYLSRUSA-N 0 1 394.475 3.313 50 0 GGAAMN Cc1ccc2nc(C(=O)N3CCC[C@@]4(C5=CCOCC5)COCC[C@H]34)[nH]c2c1 ZINC000244708338 570695247 /nfs/dbraw/zinc/69/52/47/570695247.db2.gz KRXCYHJJRLSQFF-UGKGYDQZSA-N 0 1 381.476 3.229 50 0 GGAAMN CCSc1nnc(-c2ccccc2NC(=O)CCn2cc[nH+]c2CC)c(=O)[n-]1 ZINC000055575959 570697915 /nfs/dbraw/zinc/69/79/15/570697915.db2.gz ZNSQMGMXVSWRGR-UHFFFAOYSA-N 0 1 398.492 3.144 50 0 GGAAMN COc1cccc2sc(N(CCN(C)C)C(=O)COc3ccccc3)nc21 ZINC000004359260 570701010 /nfs/dbraw/zinc/70/10/10/570701010.db2.gz MUEMDYDKAUJPLO-UHFFFAOYSA-N 0 1 385.489 3.279 50 0 GGAAMN CN(C)CCN(C(=O)C1CCCCC1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359340 570701732 /nfs/dbraw/zinc/70/17/32/570701732.db2.gz YSQYZUUQAGHGFJ-UHFFFAOYSA-N 0 1 375.494 3.500 50 0 GGAAMN COc1cc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc(OC)c1OC ZINC000057530805 570702786 /nfs/dbraw/zinc/70/27/86/570702786.db2.gz JTICZRQQMMRMOL-UHFFFAOYSA-N 0 1 399.491 3.499 50 0 GGAAMN COC(=O)[C@H](NC(=O)CSc1nc(CC(C)C)c(C)[nH]1)c1ccccc1 ZINC000004625847 570703224 /nfs/dbraw/zinc/70/32/24/570703224.db2.gz JHVVOJXMJSLNKQ-QGZVFWFLSA-N 0 1 375.494 3.039 50 0 GGAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cn3c4ccccc4oc3=O)[nH]c2c1 ZINC000061232952 570742504 /nfs/dbraw/zinc/74/25/04/570742504.db2.gz HHHVHKQRNJNJQF-QGZVFWFLSA-N 0 1 376.416 3.143 50 0 GGAAMN CC[C@H]1CN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)CCN1C ZINC000063846272 570751240 /nfs/dbraw/zinc/75/12/40/570751240.db2.gz LJJGYFRURFKACJ-SFHVURJKSA-N 0 1 391.519 3.418 50 0 GGAAMN O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1)c1ccccc1F ZINC000032711035 570753476 /nfs/dbraw/zinc/75/34/76/570753476.db2.gz QDIAVBHSFKXSEX-UHFFFAOYSA-N 0 1 392.434 3.250 50 0 GGAAMN Cc1noc(C)c1CN1CC=C(c2cnn(-c3ccc4c(c3)OCO4)c2)CC1 ZINC000065370690 570761461 /nfs/dbraw/zinc/76/14/61/570761461.db2.gz TXBUJNFSBBEXSV-UHFFFAOYSA-N 0 1 378.432 3.495 50 0 GGAAMN O=C(CCN1CCC(O)(c2ccccn2)CC1)Nc1nc2ccccc2s1 ZINC000065374671 570762676 /nfs/dbraw/zinc/76/26/76/570762676.db2.gz OLOZSAJAPFBEIT-UHFFFAOYSA-N 0 1 382.489 3.004 50 0 GGAAMN CCn1ncnc1NC(=O)c1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000065408557 570767128 /nfs/dbraw/zinc/76/71/28/570767128.db2.gz KODJCQOXTIGOLN-IBGZPJMESA-N 0 1 376.464 3.282 50 0 GGAAMN COc1ccc(-n2ccnc2[C@H]2CC(=O)Nc3[nH]nc(-c4ccco4)c32)cc1 ZINC000065529194 570772414 /nfs/dbraw/zinc/77/24/14/570772414.db2.gz MPKGOINDAYNYQA-AWEZNQCLSA-N 0 1 375.388 3.338 50 0 GGAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000004643469 570775658 /nfs/dbraw/zinc/77/56/58/570775658.db2.gz SRGZNDUNJSGWLR-FQEVSTJZSA-N 0 1 379.416 3.452 50 0 GGAAMN C[C@@H](NC(=S)Nc1cccc(F)c1)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000022027288 570777727 /nfs/dbraw/zinc/77/77/27/570777727.db2.gz UQHFWNXHGMDRFL-UZLBHIALSA-N 0 1 386.540 3.489 50 0 GGAAMN C[C@@H](NC(=S)Nc1cccc(F)c1)[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000022027292 570778275 /nfs/dbraw/zinc/77/82/75/570778275.db2.gz UQHFWNXHGMDRFL-OXQOHEQNSA-N 0 1 386.540 3.489 50 0 GGAAMN COc1ccccc1NC(=S)N[C@@H](C)[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000022031507 570778557 /nfs/dbraw/zinc/77/85/57/570778557.db2.gz DAHNHJCGFXWVRJ-LAUBAEHRSA-N 0 1 398.576 3.359 50 0 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/nfs/dbraw/zinc/35/00/97/1399350097.db2.gz OCOLPNNYYNSPPU-UHFFFAOYSA-N 0 1 388.450 3.328 50 0 GGAAMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1cn(C)c2ccccc12 ZINC000021698260 1399401714 /nfs/dbraw/zinc/40/17/14/1399401714.db2.gz MZUNWOUMMVIIEP-LJQANCHMSA-N 0 1 398.894 3.189 50 0 GGAAMN CCc1nc2sc([C@H](c3cccc(C)c3)N3CC[NH+](CC)CC3)c([O-])n2n1 ZINC000022578074 1399479274 /nfs/dbraw/zinc/47/92/74/1399479274.db2.gz QTTWRAINKSGMFW-KRWDZBQOSA-N 0 1 385.537 3.094 50 0 GGAAMN CCNC(=O)[C@@H]1CCCN1Cc1cccc(-c2nc(C3CCCC3)cc(=O)[nH]2)c1 ZINC000023250391 1399544268 /nfs/dbraw/zinc/54/42/68/1399544268.db2.gz TTYWLXKVVMCQKJ-FQEVSTJZSA-N 0 1 394.519 3.195 50 0 GGAAMN NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)[nH]n2)s1 ZINC000023506666 1399566453 /nfs/dbraw/zinc/56/64/53/1399566453.db2.gz SCEYGMYZTFQYBB-HNNXBMFYSA-N 0 1 384.436 3.354 50 0 GGAAMN O=c1cc(CCn2cccn2)nc(-c2ccc(C[NH+]3CCCCCC3)cc2)[n-]1 ZINC000048436041 1405190007 /nfs/dbraw/zinc/19/00/07/1405190007.db2.gz BFRUUBQOEPGLMV-UHFFFAOYSA-N 0 1 377.492 3.252 50 0 GGAAMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[n-]2)cc1 ZINC000048488482 1405205235 /nfs/dbraw/zinc/20/52/35/1405205235.db2.gz VUKTZCMIGIBVRH-QGZVFWFLSA-N 0 1 377.492 3.251 50 0 GGAAMN C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[n-]2)cc1 ZINC000048488482 1405205240 /nfs/dbraw/zinc/20/52/40/1405205240.db2.gz VUKTZCMIGIBVRH-QGZVFWFLSA-N 0 1 377.492 3.251 50 0 GGAAMN Cc1ccc2nc(CNC(=O)N3CCCN(Cc4cccs4)CC3)cn2c1 ZINC000057223670 1407560460 /nfs/dbraw/zinc/56/04/60/1407560460.db2.gz ZOXCNZUKDDZCAI-UHFFFAOYSA-N 0 1 383.521 3.122 50 0 GGAAMN COC(=O)c1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc(C(=O)OC)c1 ZINC000057412757 1407611099 /nfs/dbraw/zinc/61/10/99/1407611099.db2.gz KUVWSBWCEBALQV-UHFFFAOYSA-N 0 1 397.362 3.041 50 0 GGAAMN CCOC(=O)C1C(CN(CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414344 1407611385 /nfs/dbraw/zinc/61/13/85/1407611385.db2.gz BYXLHTYAXYMYQO-OAQYLSRUSA-N 0 1 393.487 3.380 50 0 GGAAMN Cc1nc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3)CC2)c(C#N)c(C)c1Cl ZINC000065371770 1408664390 /nfs/dbraw/zinc/66/43/90/1408664390.db2.gz HMPDJVBDZGNJMC-UHFFFAOYSA-N 0 1 384.867 3.244 50 0 GGAAMN CCN1C[C@@]2(CCCN(C(=O)CCc3nc4ccc(C)c(C)c4[nH]3)C2)CCC1=O ZINC000072411503 1409849907 /nfs/dbraw/zinc/84/99/07/1409849907.db2.gz BFECYSQFDWHXDU-HSZRJFAPSA-N 0 1 396.535 3.363 50 0 GGAAMN CCCCOc1ccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1 ZINC000096098607 1410323460 /nfs/dbraw/zinc/32/34/60/1410323460.db2.gz KRWGKHHRAXGDEK-UHFFFAOYSA-N 0 1 378.498 3.139 50 0 GGAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CC[C@H](OC)C2)cc1 ZINC000096122375 1410324469 /nfs/dbraw/zinc/32/44/69/1410324469.db2.gz GOIRBXJVDFCFSI-INIZCTEOSA-N 0 1 396.896 3.375 50 0 GGAAMN COc1cccc(CN2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)c1 ZINC000104420902 1410895677 /nfs/dbraw/zinc/89/56/77/1410895677.db2.gz JMXRZGJLGSRJEV-JOCHJYFZSA-N 0 1 391.515 3.312 50 0 GGAAMN COc1ccccc1CCNC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111233754 1411896943 /nfs/dbraw/zinc/89/69/43/1411896943.db2.gz GDOGJCRQGNYTRM-UHFFFAOYSA-N 0 1 392.503 3.110 50 0 GGAAMN Fc1ccccc1COc1ccc(Br)cc1CNc1nn[nH]n1 ZINC000004943034 1423390889 /nfs/dbraw/zinc/39/08/89/1423390889.db2.gz MFQCVJGRDGRUKO-UHFFFAOYSA-N 0 1 378.205 3.292 50 0 GGAAMN O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](CCc2nnn[n-]2)C1 ZINC000071738691 1424595452 /nfs/dbraw/zinc/59/54/52/1424595452.db2.gz BTNANUHWPVMISU-KRWDZBQOSA-N 0 1 377.448 3.129 50 0 GGAAMN O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@H+](CCc2nn[n-]n2)C1 ZINC000071738691 1424595458 /nfs/dbraw/zinc/59/54/58/1424595458.db2.gz BTNANUHWPVMISU-KRWDZBQOSA-N 0 1 377.448 3.129 50 0 GGAAMN O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](CCc2nn[n-]n2)C1 ZINC000071738691 1424595461 /nfs/dbraw/zinc/59/54/61/1424595461.db2.gz BTNANUHWPVMISU-KRWDZBQOSA-N 0 1 377.448 3.129 50 0 GGAAMN O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1n[nH]c2ccccc21 ZINC000225758010 1433368202 /nfs/dbraw/zinc/36/82/02/1433368202.db2.gz SGMMFFSYLOGAFL-UHFFFAOYSA-N 0 1 392.488 3.413 50 0 GGAAMN Cn1c2ccccc2nc1[C@H](Cc1ccccc1)NC(=O)c1[nH]nc2c1CCC2 ZINC000252498685 1433863420 /nfs/dbraw/zinc/86/34/20/1433863420.db2.gz RIOWEVXWCWLQBH-IBGZPJMESA-N 0 1 385.471 3.499 50 0 GGAAMN COC(=O)c1cn(-c2ccc3nc(C4CCCCC4)[nH]c3c2)cc2c(=O)[nH]nc1-2 ZINC000253412474 1433867264 /nfs/dbraw/zinc/86/72/64/1433867264.db2.gz RBPPXCFJNAAOMV-UHFFFAOYSA-N 0 1 391.431 3.376 50 0 GGAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2)N(CCCO)C3=O)c1 ZINC000008574873 230865489 /nfs/dbraw/zinc/86/54/89/230865489.db2.gz ISRKSCKVYLTEJW-HXUWFJFHSA-N 0 1 377.444 3.327 50 0 GGAAMN Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)NCCSc1cn[nH]n1 ZINC000426428852 231220976 /nfs/dbraw/zinc/22/09/76/231220976.db2.gz GGZAQJUGMKOJOG-UHFFFAOYSA-N 0 1 376.486 3.012 50 0 GGAAMN Cc1cnc(CSc2nnc(CN)n2-c2cccc(C(F)(F)F)c2)cn1 ZINC000426372546 231210418 /nfs/dbraw/zinc/21/04/18/231210418.db2.gz YZKHBYUHLUIZHQ-UHFFFAOYSA-N 0 1 380.399 3.136 50 0 GGAAMN Cc1cc(C)nc(CNC(=O)N2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)n1 ZINC000426492806 231228203 /nfs/dbraw/zinc/22/82/03/231228203.db2.gz MJARLMYRXJJNCK-INIZCTEOSA-N 0 1 378.480 3.367 50 0 GGAAMN Cc1cccc2nc(CCNC(=O)N3CCC[C@H]3c3nc(C(C)C)no3)[nH]c21 ZINC000426497025 231229640 /nfs/dbraw/zinc/22/96/40/231229640.db2.gz UWOODBJLIHUNFR-HNNXBMFYSA-N 0 1 382.468 3.467 50 0 GGAAMN Cc1cccc2nc(CCNC(=O)N3CCC(CCn4cccn4)CC3)[nH]c21 ZINC000426503530 231230968 /nfs/dbraw/zinc/23/09/68/231230968.db2.gz OMPAWKAWRWUARV-UHFFFAOYSA-N 0 1 380.496 3.122 50 0 GGAAMN O=C(c1onc2c1CCCC2)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000426517539 231233707 /nfs/dbraw/zinc/23/37/07/231233707.db2.gz GCNZZGGTIBJKSA-CEWLAPEOSA-N 0 1 377.488 3.256 50 0 GGAAMN CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)NCc1n[nH]c2c1CCCCC2 ZINC000426589974 529975077 /nfs/dbraw/zinc/97/50/77/529975077.db2.gz MPKVVNFADSCQBL-UHFFFAOYSA-N 0 1 384.509 3.472 50 0 GGAAMN CN(Cc1ccc2c(c1)CN(C)C2)C(=O)NCCCn1ncc2ccccc21 ZINC000426389522 529991201 /nfs/dbraw/zinc/99/12/01/529991201.db2.gz WKFKVKUMGFRUSJ-UHFFFAOYSA-N 0 1 377.492 3.213 50 0 GGAAMN COC(=O)[C@](NC(=O)CC(C)C)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000002050505 212262267 /nfs/dbraw/zinc/26/22/67/212262267.db2.gz IACOTOHRRAUKMA-HNNXBMFYSA-N 0 1 389.399 3.302 50 0 GGAAMN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C)cc2)N(CCN(C)C)C1=O ZINC000010233187 212239170 /nfs/dbraw/zinc/23/91/70/212239170.db2.gz ZGEWRXOJGJRNGO-HXUWFJFHSA-N 0 1 392.455 3.217 50 0 GGAAMN CCCn1c(O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21 ZINC000001248156 212232451 /nfs/dbraw/zinc/23/24/51/212232451.db2.gz LRCVTILNHDSWLF-UHFFFAOYSA-N 0 1 396.443 3.064 50 0 GGAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000001087569 212216747 /nfs/dbraw/zinc/21/67/47/212216747.db2.gz VDHWKWZHRNMWNC-GOSISDBHSA-N 0 1 394.456 3.402 50 0 GGAAMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000001063503 212212098 /nfs/dbraw/zinc/21/20/98/212212098.db2.gz GURCLPXZWCRPAT-UHFFFAOYSA-N 0 1 399.424 3.214 50 0 GGAAMN O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2O)S1 ZINC000000975808 212200742 /nfs/dbraw/zinc/20/07/42/212200742.db2.gz KBGVYNIFHLQHBW-FARCUNLSSA-N 0 1 379.029 3.241 50 0 GGAAMN Cc1ccccc1S(=O)(=O)N(C[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000000864144 212190896 /nfs/dbraw/zinc/19/08/96/212190896.db2.gz MKBRMWNQVUSPSU-FQEVSTJZSA-N 0 1 388.533 3.037 50 0 GGAAMN COc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(OC)c1OC ZINC000000819242 212185132 /nfs/dbraw/zinc/18/51/32/212185132.db2.gz YPRUHHVZZFEGKF-INIZCTEOSA-N 0 1 390.524 3.183 50 0 GGAAMN COc1cc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc(OC)c1O ZINC000000819119 212185198 /nfs/dbraw/zinc/18/51/98/212185198.db2.gz JCTJWRGYUWZOKE-UHFFFAOYSA-N 0 1 383.404 3.151 50 0 GGAAMN COc1cccc([C@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)c1OC ZINC000000754310 212179152 /nfs/dbraw/zinc/17/91/52/212179152.db2.gz NKJWVTRBKYQDNZ-MRXNPFEDSA-N 0 1 375.446 3.338 50 0 GGAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000000755560 212178851 /nfs/dbraw/zinc/17/88/51/212178851.db2.gz JQZBGYVMVQSLAJ-CQSZACIVSA-N 0 1 399.329 3.244 50 0 GGAAMN Cc1occc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000000659121 212170867 /nfs/dbraw/zinc/17/08/67/212170867.db2.gz RQINCUSXPWXGTF-UHFFFAOYSA-N 0 1 386.433 3.048 50 0 GGAAMN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000000647138 212169467 /nfs/dbraw/zinc/16/94/67/212169467.db2.gz RIDBZIZYSLBIGW-IBGZPJMESA-N 0 1 382.416 3.032 50 0 GGAAMN CCN1CCN(CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC1 ZINC000020573477 212150707 /nfs/dbraw/zinc/15/07/07/212150707.db2.gz SAVJIWVFLHBGOT-UHFFFAOYSA-N 0 1 378.472 3.476 50 0 biogenic GGAAMN CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1F ZINC000253472364 212137618 /nfs/dbraw/zinc/13/76/18/212137618.db2.gz LXCOEXSXXGWGQI-AWEZNQCLSA-N 0 1 399.401 3.001 50 0 GGAAMN CSc1ccc(CNC(=O)N2CCN(C3Cc4ccccc4C3)CC2)cc1 ZINC000426596473 532954021 /nfs/dbraw/zinc/95/40/21/532954021.db2.gz JIOGGGOPRBOIGC-UHFFFAOYSA-N 0 1 381.545 3.403 50 0 GGAAMN O=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008864254 221060901 /nfs/dbraw/zinc/06/09/01/221060901.db2.gz LKTGCJUBTAILJK-INIZCTEOSA-N 0 1 395.887 3.432 50 0 GGAAMN O=C(NC[C@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008864255 221061007 /nfs/dbraw/zinc/06/10/07/221061007.db2.gz LKTGCJUBTAILJK-MRXNPFEDSA-N 0 1 395.887 3.432 50 0 GGAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C)cc1OC ZINC000008845618 221061727 /nfs/dbraw/zinc/06/17/27/221061727.db2.gz AUJXEZUVMGAIGZ-FQEVSTJZSA-N 0 1 379.416 3.365 50 0 GGAAMN O=C(NCc1cccs1)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008893204 221062328 /nfs/dbraw/zinc/06/23/28/221062328.db2.gz YUEVBVHIZKXSLM-QGZVFWFLSA-N 0 1 391.562 3.159 50 0 GGAAMN O=c1c2c[nH]nc2nc(SCc2ccc3c(c2)OCCO3)n1-c1ccccc1 ZINC000008580195 221044603 /nfs/dbraw/zinc/04/46/03/221044603.db2.gz DFRAZZGRPGTKQR-UHFFFAOYSA-N 0 1 392.440 3.172 50 0 GGAAMN COc1ccccc1N1CCN(C(=O)CCc2nc3ccc(C)cc3[nH]2)CC1 ZINC000008738610 221054340 /nfs/dbraw/zinc/05/43/40/221054340.db2.gz PAMBERATXMMUAF-UHFFFAOYSA-N 0 1 378.476 3.161 50 0 GGAAMN O=C([O-])c1c2c(sc1NC(=O)N1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000009303379 221076694 /nfs/dbraw/zinc/07/66/94/221076694.db2.gz CZKGMSCEGYTLSH-UHFFFAOYSA-N 0 1 385.489 3.285 50 0 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CCc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc1 ZINC000064800069 136157754 /nfs/dbraw/zinc/15/77/54/136157754.db2.gz WQKOPOOYPSDUAN-UHFFFAOYSA-N 0 1 394.523 3.302 50 0 GGAAMN Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(NC2CCCCC2)n1 ZINC000065363693 136163489 /nfs/dbraw/zinc/16/34/89/136163489.db2.gz CRFGRPIVUBVKQZ-UHFFFAOYSA-N 0 1 379.508 3.492 50 0 GGAAMN CCNc1nc(C)cc(N2CCN(C(=O)Nc3cccc(SC)c3)CC2)n1 ZINC000065364954 136163776 /nfs/dbraw/zinc/16/37/76/136163776.db2.gz NOYPTNWXLAYCPE-UHFFFAOYSA-N 0 1 386.525 3.293 50 0 GGAAMN CCn1ccnc1CN1CCCC12CCN(c1cnc3ccccc3n1)CC2 ZINC000072409582 136169614 /nfs/dbraw/zinc/16/96/14/136169614.db2.gz FZHMYRAVRRNKAO-UHFFFAOYSA-N 0 1 376.508 3.481 50 0 GGAAMN OCC[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CCN1Cc1cccs1 ZINC000072409343 136169618 /nfs/dbraw/zinc/16/96/18/136169618.db2.gz UBLFZVNLHFTTBC-GOSISDBHSA-N 0 1 380.517 3.278 50 0 GGAAMN Cc1cc(CN(C)Cc2cc3cc(C)ccc3nc2N2CCC[C@H](O)C2)n[nH]1 ZINC000072428946 136170114 /nfs/dbraw/zinc/17/01/14/136170114.db2.gz 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O=C(c1cccc(Cl)c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697935 136199762 /nfs/dbraw/zinc/19/97/62/136199762.db2.gz MQVSCJBJDQYHKO-UHFFFAOYSA-N 0 1 394.866 3.231 50 0 GGAAMN Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 ZINC000011697976 136199766 /nfs/dbraw/zinc/19/97/66/136199766.db2.gz LCZPMGMCBBVDEL-UHFFFAOYSA-N 0 1 389.463 3.278 50 0 GGAAMN Cc1ccc(C(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1C ZINC000011697920 136199807 /nfs/dbraw/zinc/19/98/07/136199807.db2.gz ZNLQYZGZXJVKKA-UHFFFAOYSA-N 0 1 388.475 3.194 50 0 GGAAMN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000013011089 136200849 /nfs/dbraw/zinc/20/08/49/136200849.db2.gz YQVCJPZVCHVVKK-UHFFFAOYSA-N 0 1 380.416 3.455 50 0 GGAAMN O=C(CN1CC[C@H](c2ccccc2)C1)NC1CCN(c2ccccc2F)CC1 ZINC000219936271 136204581 /nfs/dbraw/zinc/20/45/81/136204581.db2.gz RRWYBQOAKYGGIT-IBGZPJMESA-N 0 1 381.495 3.400 50 0 GGAAMN COC(=O)c1cccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)c1 ZINC000057412932 222032429 /nfs/dbraw/zinc/03/24/29/222032429.db2.gz 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ZINC000055226290 222018437 /nfs/dbraw/zinc/01/84/37/222018437.db2.gz KLDPHUXLYMIXQJ-OAHLLOKOSA-N 0 1 387.505 3.249 50 0 GGAAMN Cc1ccc(NC(=O)C(C)C)c(C(=O)NC2CCN(Cc3cccnc3)CC2)c1 ZINC000055254558 222018581 /nfs/dbraw/zinc/01/85/81/222018581.db2.gz ZHXPPDMPCHRENC-UHFFFAOYSA-N 0 1 394.519 3.379 50 0 GGAAMN Cc1nn(C)c(N2CCOCC2)c1CN1CCC[C@H](COc2ccc(C)cc2)C1 ZINC000055228171 222018898 /nfs/dbraw/zinc/01/88/98/222018898.db2.gz VTUWTOOBXAFERQ-FQEVSTJZSA-N 0 1 398.551 3.165 50 0 GGAAMN CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1cc(-c2cnn(C)c2C)n[nH]1 ZINC000055271963 222019132 /nfs/dbraw/zinc/01/91/32/222019132.db2.gz JTHNXIKKUSTCTK-UHFFFAOYSA-N 0 1 391.479 3.008 50 0 GGAAMN CCOc1ccc2cc(C(=O)Nc3cc(S(=O)(=O)CC)ccc3O)[nH]c2c1 ZINC000057990935 222037193 /nfs/dbraw/zinc/03/71/93/222037193.db2.gz GHTXKWZSQMYGJW-UHFFFAOYSA-N 0 1 388.445 3.318 50 0 GGAAMN Cc1[nH]c2cc(C)ccc2c1C(=O)CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000058979762 222056508 /nfs/dbraw/zinc/05/65/08/222056508.db2.gz HRMQEOCUSMGTOV-SJORKVTESA-N 0 1 375.472 3.248 50 0 biogenic GGAAMN Cc1cnccc1-n1nc(C2CC2)nc1CCCn1cnc2ccccc2c1=O ZINC000065381640 222126680 /nfs/dbraw/zinc/12/66/80/222126680.db2.gz HPSDVCSPIATXNH-UHFFFAOYSA-N 0 1 386.459 3.191 50 0 GGAAMN CC[C@@H]1CN(Cc2cccc(OCCO)c2)CCC(=O)N1Cc1ccccc1 ZINC000071747515 222189434 /nfs/dbraw/zinc/18/94/34/222189434.db2.gz OHAJFDDRICDAEO-OAQYLSRUSA-N 0 1 382.504 3.071 50 0 GGAAMN Cn1cnnc1Sc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccco4)c32)o1 ZINC000065527145 222133602 /nfs/dbraw/zinc/13/36/02/222133602.db2.gz APTFAYMUTCERQL-VIFPVBQESA-N 0 1 382.405 3.017 50 0 GGAAMN Cc1cnccc1-n1nc(C(C)C)nc1Cc1ccc(N2CCNC2=O)cc1 ZINC000065526895 222133972 /nfs/dbraw/zinc/13/39/72/222133972.db2.gz LMYSQPWELPSUEU-UHFFFAOYSA-N 0 1 376.464 3.215 50 0 GGAAMN Cc1cccc(N2CCN(C(=O)c3[nH]nnc3Nc3ccc(Cl)cc3)CC2)c1 ZINC000067284313 222143387 /nfs/dbraw/zinc/14/33/87/222143387.db2.gz BQGFLYLZJOMHPU-UHFFFAOYSA-N 0 1 396.882 3.473 50 0 GGAAMN CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000067284214 222143694 /nfs/dbraw/zinc/14/36/94/222143694.db2.gz SQKVTTZUKAKNGN-UHFFFAOYSA-N 0 1 394.454 3.212 50 0 GGAAMN CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000067284179 222144429 /nfs/dbraw/zinc/14/44/29/222144429.db2.gz CFQAQXLBQHOGOW-UHFFFAOYSA-N 0 1 382.512 3.201 50 0 GGAAMN Cc1ncsc1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000067542270 222147802 /nfs/dbraw/zinc/14/78/02/222147802.db2.gz CKYRFMXCKPEPMN-FQEVSTJZSA-N 0 1 398.576 3.197 50 0 GGAAMN Cc1cccc2[nH]c(CN(C)C(=O)c3cc(COc4ccccc4)n[nH]3)nc21 ZINC000067605100 222148980 /nfs/dbraw/zinc/14/89/80/222148980.db2.gz YPFVGGVELCEWJI-UHFFFAOYSA-N 0 1 375.432 3.446 50 0 GGAAMN Cc1cccc2nc(CN(C)C(=O)c3cc(COc4ccccc4)[nH]n3)[nH]c21 ZINC000067605100 222148985 /nfs/dbraw/zinc/14/89/85/222148985.db2.gz YPFVGGVELCEWJI-UHFFFAOYSA-N 0 1 375.432 3.446 50 0 GGAAMN Cc1ccc(C(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c(C)c1 ZINC000067602160 222149415 /nfs/dbraw/zinc/14/94/15/222149415.db2.gz QRLUBACRDZQBPL-UHFFFAOYSA-N 0 1 393.535 3.355 50 0 GGAAMN COc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)c1 ZINC000067654636 222152623 /nfs/dbraw/zinc/15/26/23/222152623.db2.gz SYXYLJZTQWFGFW-UHFFFAOYSA-N 0 1 392.459 3.102 50 0 GGAAMN CCNc1ncc(C(=O)N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)cn1 ZINC000067675599 222154129 /nfs/dbraw/zinc/15/41/29/222154129.db2.gz RQPWRXMRVQJIJI-UHFFFAOYSA-N 0 1 390.491 3.242 50 0 GGAAMN O=C(c1ccn[nH]1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067673431 222154312 /nfs/dbraw/zinc/15/43/12/222154312.db2.gz TVTHUVSAULZWTB-UHFFFAOYSA-N 0 1 392.440 3.427 50 0 GGAAMN COc1ccccc1Cn1ncc2c1NC(=O)C[C@H]2c1cc(C(C)(C)C)[nH]n1 ZINC000067724819 222156655 /nfs/dbraw/zinc/15/66/55/222156655.db2.gz UWPCUGUDTLJNGJ-CQSZACIVSA-N 0 1 379.464 3.435 50 0 GGAAMN C[C@@H](C(=O)N(C)C)N1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756103 222158041 /nfs/dbraw/zinc/15/80/41/222158041.db2.gz UWRFJHCIVJVACW-KRWDZBQOSA-N 0 1 388.515 3.425 50 0 GGAAMN CC(C)c1cc(C(=O)N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)n[nH]1 ZINC000067726930 222158129 /nfs/dbraw/zinc/15/81/29/222158129.db2.gz RSPOHCILCATKLJ-UHFFFAOYSA-N 0 1 380.404 3.115 50 0 GGAAMN O=C(c1ccc2n[nH]nc2c1)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 ZINC000067804293 222158827 /nfs/dbraw/zinc/15/88/27/222158827.db2.gz PUJQJDTYPPZYFQ-UHFFFAOYSA-N 0 1 386.459 3.292 50 0 GGAAMN COc1ccccc1CNC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067788822 222159055 /nfs/dbraw/zinc/15/90/55/222159055.db2.gz ZRJYWYKRMCBZSY-XMMPIXPASA-N 0 1 396.531 3.462 50 0 GGAAMN CC1=NN(CC(=O)NCc2nc(-c3ccccn3)c(-c3ccc(C)cc3)[nH]2)CC1 ZINC000067786012 222159187 /nfs/dbraw/zinc/15/91/87/222159187.db2.gz CCBQHBGGYSYWDD-UHFFFAOYSA-N 0 1 388.475 3.145 50 0 GGAAMN Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000067841434 222160590 /nfs/dbraw/zinc/16/05/90/222160590.db2.gz WCNCXWVIQLQABB-KRWDZBQOSA-N 0 1 390.491 3.014 50 0 GGAAMN CC(C)c1ccc(CN2CCC[C@@](O)(CN(C)Cc3ccccn3)C2=O)cc1 ZINC000067817650 222160770 /nfs/dbraw/zinc/16/07/70/222160770.db2.gz AXEWCNXUBKAWMP-HSZRJFAPSA-N 0 1 381.520 3.191 50 0 GGAAMN 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